{ "num_pairs": 30, "pairs": [ { "index": 1, "nt1": "///U/31", "nt2": "///V/52", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": 179.134, "conf1": "anti", "pucker1": "~C3'-endo", "lambda1": 54.334, "chi2": -130.946, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 47.255, "C1C1_dist": 10.878, "N1N9_dist": 9.020, "C6C8_dist": 9.855, "CNNC_torsion": -20.868, "hbonds_num": 3, "hbonds_desc": "O6(carbonyl)-N4(amino)[2.91],N1(imino)-N3[2.89],N2(amino)-O2(carbonyl)[2.90]", "interBase_angle": 22.569, "planarity": 0.301, "simple_Shear": 0.410, "simple_Stretch": -0.135, "simple_Buckle": -8.630, "simple_Propeller": -20.854, "bp_simpleParams": [ 0.410, -0.135, 0.463, -8.630, -20.854, -4.505 ], "bp_params": [ 0.402, -0.157, 0.463, -9.654, -20.400, -4.562 ], "frame": { "rmsd": null, "origin": [ -14.826, 12.598, -29.683 ], "x_axis": [ -0.350, -0.932, 0.089 ], "y_axis": [ 0.893, -0.361, -0.267 ], "z_axis": [ 0.282, -0.014, 0.959 ], "quaternion": [ 0.559, -0.113, 0.086, -0.817 ] } }, { "index": 2, "nt1": "///U/32", "nt2": "///V/51", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -139.994, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 48.495, "chi2": -124.489, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 57.971, "C1C1_dist": 10.773, "N1N9_dist": 9.018, "C6C8_dist": 9.921, "CNNC_torsion": -9.653, "hbonds_num": 3, "hbonds_desc": "O2(carbonyl)-N2(amino)[2.89],N3-N1(imino)[2.91],N4(amino)-O6(carbonyl)[2.89]", "interBase_angle": 11.975, "planarity": 0.162, "simple_Shear": -0.707, "simple_Stretch": -0.058, "simple_Buckle": -8.954, "simple_Propeller": -7.951, "bp_simpleParams": [ -0.707, -0.058, 0.255, -8.954, -7.951, -1.773 ], "bp_params": [ -0.701, -0.108, 0.255, -8.359, -8.574, -1.774 ], "frame": { "rmsd": null, "origin": [ -15.118, 12.438, -26.342 ], "x_axis": [ 0.203, -0.976, -0.083 ], "y_axis": [ 0.953, 0.216, -0.211 ], "z_axis": [ 0.224, -0.036, 0.974 ], "quaternion": [ 0.773, -0.057, 0.099, -0.623 ] } }, { "index": 3, "nt1": "///U/33", "nt2": "///V/50", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -112.316, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 49.585, "chi2": -97.480, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 57.400, "C1C1_dist": 10.683, "N1N9_dist": 8.931, "C6C8_dist": 9.851, "CNNC_torsion": -8.439, "hbonds_num": 2, "hbonds_desc": "N3(imino)-N1[2.88],O4(carbonyl)-N6(amino)[2.92]", "interBase_angle": 13.263, "planarity": 0.167, "simple_Shear": -0.749, "simple_Stretch": -0.053, "simple_Buckle": -8.448, "simple_Propeller": -10.224, "bp_simpleParams": [ -0.749, -0.053, -0.081, -8.448, -10.224, -1.452 ], "bp_params": [ -0.743, -0.110, -0.081, -7.641, -10.841, -1.455 ], "frame": { "rmsd": null, "origin": [ -14.923, 12.262, -22.929 ], "x_axis": [ 0.625, -0.729, -0.280 ], "y_axis": [ 0.744, 0.665, -0.068 ], "z_axis": [ 0.236, -0.166, 0.957 ], "quaternion": [ 0.901, 0.027, 0.143, -0.409 ] } }, { "index": 4, "nt1": "///U/34", "nt2": "///V/49", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -109.126, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 51.733, "chi2": -103.112, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 56.070, "C1C1_dist": 10.523, "N1N9_dist": 8.790, "C6C8_dist": 9.722, "CNNC_torsion": -8.396, "hbonds_num": 2, "hbonds_desc": "N6(amino)-O4(carbonyl)[2.92],N1-N3(imino)[2.87]", "interBase_angle": 8.809, "planarity": 0.108, "simple_Shear": -0.521, "simple_Stretch": -0.212, "simple_Buckle": 4.883, "simple_Propeller": -7.332, "bp_simpleParams": [ -0.521, -0.212, 0.248, 4.883, -7.332, -1.337 ], "bp_params": [ -0.510, -0.238, 0.248, 5.242, -7.079, -1.338 ], "frame": { "rmsd": null, "origin": [ -13.400, 12.051, -20.186 ], "x_axis": [ 0.908, -0.177, -0.379 ], "y_axis": [ 0.239, 0.963, 0.121 ], "z_axis": [ 0.344, -0.201, 0.917 ], "quaternion": [ 0.973, 0.083, 0.186, -0.107 ] } }, { "index": 5, "nt1": "///U/35", "nt2": "///V/48", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -105.844, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 59.506, "chi2": -105.434, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 52.029, "C1C1_dist": 10.411, "N1N9_dist": 8.756, "C6C8_dist": 9.674, "CNNC_torsion": -3.890, "hbonds_num": 3, "hbonds_desc": "O2(carbonyl)-N2(amino)[2.87],N3-N1(imino)[2.91],N4(amino)-O6(carbonyl)[2.91]", "interBase_angle": 20.809, "planarity": 0.223, "simple_Shear": 0.876, "simple_Stretch": -0.201, "simple_Buckle": 19.319, "simple_Propeller": -7.734, "bp_simpleParams": [ 0.876, -0.201, -0.488, 19.319, -7.734, 0.530 ], "bp_params": [ 0.857, -0.268, -0.488, 18.685, -9.160, 0.525 ], "frame": { "rmsd": null, "origin": [ -11.688, 11.090, -17.791 ], "x_axis": [ 0.863, 0.389, -0.324 ], "y_axis": [ -0.230, 0.872, 0.432 ], "z_axis": [ 0.450, -0.298, 0.842 ], "quaternion": [ 0.946, 0.193, 0.205, 0.164 ] } }, { "index": 6, "nt1": "///U/37", "nt2": "///V/46", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -116.091, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 59.860, "chi2": -133.927, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 62.894, "C1C1_dist": 10.494, "N1N9_dist": 9.083, "C6C8_dist": 10.337, "CNNC_torsion": 2.556, "hbonds_num": 4, "hbonds_desc": "O2(carbonyl)-N2(amino)[2.56],N3-N1(imino)[3.31],N3-N2(amino)[3.24],N4(amino)-O6(carbonyl)[3.93]", "interBase_angle": 19.953, "planarity": 0.238, "simple_Shear": -0.128, "simple_Stretch": 0.544, "simple_Buckle": -18.946, "simple_Propeller": 6.256, "bp_simpleParams": [ -0.128, 0.544, 0.195, -18.946, 6.256, 16.188 ], "bp_params": [ -0.141, 0.541, 0.195, -19.104, 5.756, 15.986 ], "frame": { "rmsd": null, "origin": [ -3.046, 11.973, -10.522 ], "x_axis": [ 0.296, 0.953, -0.064 ], "y_axis": [ -0.710, 0.264, 0.653 ], "z_axis": [ 0.639, -0.148, 0.755 ], "quaternion": [ 0.761, 0.263, 0.231, 0.546 ] } }, { "index": 7, "nt1": "///U/38", "nt2": "///V/45", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -117.580, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 51.773, "chi2": -132.970, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 56.808, "C1C1_dist": 10.811, "N1N9_dist": 9.099, "C6C8_dist": 10.084, "CNNC_torsion": -17.750, "hbonds_num": 2, "hbonds_desc": "N6(amino)-O4(carbonyl)[3.49],N1-N3(imino)[3.19]", "interBase_angle": 15.174, "planarity": 0.218, "simple_Shear": -0.475, "simple_Stretch": 0.127, "simple_Buckle": 3.431, "simple_Propeller": -14.781, "bp_simpleParams": [ -0.475, 0.127, 0.655, 3.431, -14.781, 0.820 ], "bp_params": [ -0.480, 0.106, 0.655, 4.084, -14.614, 0.827 ], "frame": { "rmsd": null, "origin": [ -2.546, 9.211, -7.859 ], "x_axis": [ -0.028, 0.858, 0.513 ], "y_axis": [ -0.861, -0.282, 0.423 ], "z_axis": [ 0.508, -0.430, 0.746 ], "quaternion": [ 0.599, 0.356, -0.002, 0.717 ] } }, { "index": 8, "nt1": "///U/39", "nt2": "///V/44", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -109.994, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 54.154, "chi2": -119.817, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 46.075, "C1C1_dist": 10.690, "N1N9_dist": 8.810, "C6C8_dist": 9.615, "CNNC_torsion": -15.384, "hbonds_num": 2, "hbonds_desc": "N3(imino)-N1[2.91],O4(carbonyl)-N6(amino)[2.90]", "interBase_angle": 17.640, "planarity": 0.224, "simple_Shear": 0.821, "simple_Stretch": -0.293, "simple_Buckle": 1.702, "simple_Propeller": -17.558, "bp_simpleParams": [ 0.821, -0.293, 0.103, 1.702, -17.558, -6.131 ], "bp_params": [ 0.795, -0.357, 0.103, 0.298, -17.638, -6.205 ], "frame": { "rmsd": null, "origin": [ -0.128, 7.692, -5.877 ], "x_axis": [ -0.556, 0.462, 0.691 ], "y_axis": [ -0.626, -0.780, 0.018 ], "z_axis": [ 0.547, -0.422, 0.723 ], "quaternion": [ 0.311, 0.354, -0.116, 0.874 ] } }, { "index": 9, "nt1": "///U/40", "nt2": "///V/43", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -122.106, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 55.855, "chi2": -125.319, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 54.719, "C1C1_dist": 10.601, "N1N9_dist": 8.934, "C6C8_dist": 9.994, "CNNC_torsion": -25.118, "hbonds_num": 3, "hbonds_desc": "O2(carbonyl)-N2(amino)[2.67],N3-N1(imino)[2.94],N4(amino)-O6(carbonyl)[3.42]", "interBase_angle": 25.835, "planarity": 0.342, "simple_Shear": 0.104, "simple_Stretch": -0.018, "simple_Buckle": -6.524, "simple_Propeller": -24.998, "bp_simpleParams": [ 0.104, -0.018, 0.671, -6.524, -24.998, 5.407 ], "bp_params": [ 0.103, -0.019, 0.671, -6.718, -24.946, 5.528 ], "frame": { "rmsd": null, "origin": [ 1.522, 6.348, -3.222 ], "x_axis": [ -0.794, -0.094, 0.601 ], "y_axis": [ -0.209, -0.886, -0.414 ], "z_axis": [ 0.571, -0.455, 0.683 ], "quaternion": [ 0.031, 0.320, -0.237, 0.917 ] } }, { "index": 10, "nt1": "///U/41", "nt2": "///V/42", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -100.549, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 60.453, "chi2": -160.278, "conf2": "anti", "pucker2": "~C3'-endo", "lambda2": 51.929, "C1C1_dist": 10.686, "N1N9_dist": 9.057, "C6C8_dist": 10.155, "CNNC_torsion": -25.218, "hbonds_num": 3, "hbonds_desc": "N1(imino)-N3[3.12],N2(amino)-O2(carbonyl)[2.66],N2(amino)-N3[2.93]", "interBase_angle": 21.154, "planarity": 0.316, "simple_Shear": 0.689, "simple_Stretch": 0.133, "simple_Buckle": 3.121, "simple_Propeller": -20.923, "bp_simpleParams": [ 0.689, 0.133, 0.970, 3.121, -20.923, 6.330 ], "bp_params": [ 0.697, 0.082, 0.970, 1.551, -21.097, 6.438 ], "frame": { "rmsd": null, "origin": [ 3.307, 4.685, -1.358 ], "x_axis": [ -0.794, -0.594, 0.125 ], "y_axis": [ 0.331, -0.597, -0.731 ], "z_axis": [ 0.509, -0.539, 0.671 ], "quaternion": [ -0.264, 0.181, -0.363, 0.875 ] } }, { "index": 11, "nt1": "///W/31", "nt2": "///X/52", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": 157.730, "conf1": "anti", "pucker1": "~C3'-endo", "lambda1": 45.525, "chi2": -134.838, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 53.278, "C1C1_dist": 10.807, "N1N9_dist": 8.894, "C6C8_dist": 9.724, "CNNC_torsion": -14.185, "hbonds_num": 3, "hbonds_desc": "O6(carbonyl)-N4(amino)[2.90],N1(imino)-N3[2.91],N2(amino)-O2(carbonyl)[2.91]", "interBase_angle": 15.591, "planarity": 0.193, "simple_Shear": -0.767, "simple_Stretch": -0.260, "simple_Buckle": -6.270, "simple_Propeller": -14.275, "bp_simpleParams": [ -0.767, -0.260, 0.177, -6.270, -14.275, -3.272 ], "bp_params": [ -0.747, -0.312, 0.177, -5.254, -14.680, -3.295 ], "frame": { "rmsd": null, "origin": [ -51.471, 27.062, -61.909 ], "x_axis": [ 0.927, -0.285, 0.244 ], "y_axis": [ 0.337, 0.918, -0.210 ], "z_axis": [ -0.165, 0.277, 0.947 ], "quaternion": [ 0.974, -0.125, -0.105, -0.160 ] } }, { "index": 12, "nt1": "///W/32", "nt2": "///X/51", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -134.013, "conf1": "anti", "pucker1": "----", "lambda1": 55.434, "chi2": -124.257, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 54.069, "C1C1_dist": 10.598, "N1N9_dist": 8.900, "C6C8_dist": 9.822, "CNNC_torsion": -8.990, "hbonds_num": 3, "hbonds_desc": "O2(carbonyl)-N2(amino)[2.88],N3-N1(imino)[2.90],N4(amino)-O6(carbonyl)[2.90]", "interBase_angle": 16.968, "planarity": 0.231, "simple_Shear": 0.308, "simple_Stretch": -0.125, "simple_Buckle": -14.380, "simple_Propeller": -9.008, "bp_simpleParams": [ 0.308, -0.125, 0.260, -14.380, -9.008, -0.657 ], "bp_params": [ 0.304, -0.134, 0.260, -14.670, -8.527, -0.653 ], "frame": { "rmsd": null, "origin": [ -51.581, 26.636, -58.197 ], "x_axis": [ 0.937, 0.338, -0.091 ], "y_axis": [ -0.350, 0.905, -0.240 ], "z_axis": [ 0.001, 0.256, 0.967 ], "quaternion": [ 0.976, -0.127, 0.024, 0.176 ] } }, { "index": 13, "nt1": "///W/33", "nt2": "///X/50", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -114.209, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 53.146, "chi2": -89.499, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 56.503, "C1C1_dist": 10.555, "N1N9_dist": 8.857, "C6C8_dist": 9.809, "CNNC_torsion": -8.038, "hbonds_num": 2, "hbonds_desc": "N3(imino)-N1[2.87],O4(carbonyl)-N6(amino)[2.93]", "interBase_angle": 16.282, "planarity": 0.199, "simple_Shear": -0.347, "simple_Stretch": -0.068, "simple_Buckle": -13.895, "simple_Propeller": -8.487, "bp_simpleParams": [ -0.347, -0.068, 0.050, -13.895, -8.487, -0.130 ], "bp_params": [ -0.344, -0.080, 0.050, -13.608, -8.940, -0.129 ], "frame": { "rmsd": null, "origin": [ -51.542, 26.691, -54.847 ], "x_axis": [ 0.702, 0.645, -0.302 ], "y_axis": [ -0.698, 0.708, -0.110 ], "z_axis": [ 0.143, 0.288, 0.947 ], "quaternion": [ 0.916, -0.108, 0.122, 0.366 ] } }, { "index": 14, "nt1": "///W/34", "nt2": "///X/49", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -106.499, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 55.380, "chi2": -133.223, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 49.018, "C1C1_dist": 10.807, "N1N9_dist": 9.002, "C6C8_dist": 9.879, "CNNC_torsion": -11.380, "hbonds_num": 2, "hbonds_desc": "N6(amino)-O4(carbonyl)[2.91],N1-N3(imino)[2.89]", "interBase_angle": 11.020, "planarity": 0.145, "simple_Shear": 0.546, "simple_Stretch": -0.057, "simple_Buckle": 3.802, "simple_Propeller": -10.343, "bp_simpleParams": [ 0.546, -0.057, 0.278, 3.802, -10.343, -3.826 ], "bp_params": [ 0.542, -0.088, 0.278, 3.197, -10.546, -3.840 ], "frame": { "rmsd": null, "origin": [ -51.700, 28.100, -52.065 ], "x_axis": [ 0.071, 0.932, -0.355 ], "y_axis": [ -0.989, 0.111, 0.096 ], "z_axis": [ 0.129, 0.344, 0.930 ], "quaternion": [ 0.727, -0.085, 0.167, 0.661 ] } }, { "index": 15, "nt1": "///W/35", "nt2": "///X/48", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -115.124, "conf1": "anti", "pucker1": "~C3'-endo", "lambda1": 65.998, "chi2": -97.251, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 51.463, "C1C1_dist": 10.515, "N1N9_dist": 9.001, "C6C8_dist": 10.122, "CNNC_torsion": -3.445, "hbonds_num": 3, "hbonds_desc": "O2(carbonyl)-N1(imino)[3.21],O2(carbonyl)-N2(amino)[2.88],N3-N1(imino)[3.38]", "interBase_angle": 16.065, "planarity": 0.206, "simple_Shear": 1.429, "simple_Stretch": 0.334, "simple_Buckle": 15.975, "simple_Propeller": -1.692, "bp_simpleParams": [ 1.429, 0.334, -0.076, 15.975, -1.692, 10.627 ], "bp_params": [ 1.461, 0.136, -0.076, 15.598, -3.844, 10.535 ], "frame": { "rmsd": null, "origin": [ -51.050, 30.192, -49.730 ], "x_axis": [ -0.462, 0.808, -0.365 ], "y_axis": [ -0.873, -0.341, 0.349 ], "z_axis": [ 0.158, 0.480, 0.863 ], "quaternion": [ 0.515, -0.064, 0.254, 0.816 ] } }, { "index": 16, "nt1": "///W/37", "nt2": "///X/46", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -127.929, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 65.452, "chi2": -127.917, "conf2": "anti", "pucker2": "~C3'-endo", "lambda2": 85.029, "C1C1_dist": 9.215, "N1N9_dist": 8.473, "C6C8_dist": 10.178, "CNNC_torsion": -6.360, "hbonds_num": 2, "hbonds_desc": "O2(carbonyl)-N2(amino)[3.00],N3-N2(amino)[2.48]", "interBase_angle": 35.782, "planarity": 0.487, "simple_Shear": -1.354, "simple_Stretch": 1.376, "simple_Buckle": -35.770, "simple_Propeller": -0.925, "bp_simpleParams": [ -1.354, 1.376, -0.003, -35.770, -0.925, 44.494 ], "bp_params": [ -1.548, 1.153, -0.003, -35.215, -6.346, 42.664 ], "frame": { "rmsd": null, "origin": [ -53.392, 39.271, -42.621 ], "x_axis": [ -0.884, 0.360, -0.297 ], "y_axis": [ -0.466, -0.640, 0.611 ], "z_axis": [ 0.030, 0.678, 0.734 ], "quaternion": [ 0.229, -0.074, 0.357, 0.903 ] } }, { "index": 17, "nt1": "///W/38", "nt2": "///X/45", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -122.933, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 48.391, "chi2": -148.437, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 56.086, "C1C1_dist": 11.413, "N1N9_dist": 9.616, "C6C8_dist": 10.515, "CNNC_torsion": -13.465, "hbonds_num": 2, "hbonds_desc": "N6(amino)-O4(carbonyl)[3.81],N1-N3(imino)[3.72]", "interBase_angle": 17.778, "planarity": 0.227, "simple_Shear": -0.853, "simple_Stretch": 0.603, "simple_Buckle": -4.841, "simple_Propeller": -17.107, "bp_simpleParams": [ -0.853, 0.603, -0.119, -4.841, -17.107, -1.422 ], "bp_params": [ -0.898, 0.534, -0.119, -3.435, -17.443, -1.438 ], "frame": { "rmsd": null, "origin": [ -49.744, 39.500, -39.478 ], "x_axis": [ -0.899, -0.069, 0.432 ], "y_axis": [ 0.297, -0.820, 0.489 ], "z_axis": [ 0.321, 0.568, 0.758 ], "quaternion": [ -0.098, 0.202, 0.283, 0.932 ] } }, { "index": 18, "nt1": "///W/39", "nt2": "///X/44", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -108.426, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 60.130, "chi2": -113.176, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 52.100, "C1C1_dist": 10.792, "N1N9_dist": 9.155, "C6C8_dist": 10.228, "CNNC_torsion": -14.150, "hbonds_num": 2, "hbonds_desc": "N3(imino)-N1[3.32],O4(carbonyl)-N6(amino)[3.73]", "interBase_angle": 17.731, "planarity": 0.223, "simple_Shear": 0.726, "simple_Stretch": 0.320, "simple_Buckle": -1.516, "simple_Propeller": -17.666, "bp_simpleParams": [ 0.726, 0.320, 0.088, -1.516, -17.666, 6.102 ], "bp_params": [ 0.746, 0.269, 0.088, -2.733, -17.519, 6.172 ], "frame": { "rmsd": null, "origin": [ -49.106, 41.642, -37.130 ], "x_axis": [ -0.476, -0.597, 0.646 ], "y_axis": [ 0.815, -0.576, 0.068 ], "z_axis": [ 0.331, 0.558, 0.761 ], "quaternion": [ -0.421, 0.291, 0.187, 0.839 ] } }, { "index": 19, "nt1": "///W/40", "nt2": "///X/43", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -128.069, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 51.230, "chi2": -129.028, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 52.200, "C1C1_dist": 10.782, "N1N9_dist": 8.962, "C6C8_dist": 9.829, "CNNC_torsion": -21.762, "hbonds_num": 3, "hbonds_desc": "O2(carbonyl)-N2(amino)[2.91],N3-N1(imino)[2.88],N4(amino)-O6(carbonyl)[2.92]", "interBase_angle": 24.037, "planarity": 0.324, "simple_Shear": -0.169, "simple_Stretch": -0.144, "simple_Buckle": -12.973, "simple_Propeller": -20.235, "bp_simpleParams": [ -0.169, -0.144, 0.540, -12.973, -20.235, -2.999 ], "bp_params": [ -0.167, -0.146, 0.540, -12.680, -20.420, -3.029 ], "frame": { "rmsd": null, "origin": [ -47.994, 44.057, -34.957 ], "x_axis": [ 0.096, -0.782, 0.616 ], "y_axis": [ 0.893, -0.206, -0.400 ], "z_axis": [ 0.440, 0.589, 0.678 ], "quaternion": [ 0.626, -0.395, -0.071, -0.669 ] } }, { "index": 20, "nt1": "///W/41", "nt2": "///X/42", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -101.707, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 52.931, "chi2": -161.864, "conf2": "anti", "pucker2": "~C3'-endo", "lambda2": 48.338, "C1C1_dist": 10.932, "N1N9_dist": 9.061, "C6C8_dist": 9.909, "CNNC_torsion": -15.546, "hbonds_num": 3, "hbonds_desc": "O6(carbonyl)-N4(amino)[2.90],N1(imino)-N3[2.91],N2(amino)-O2(carbonyl)[2.90]", "interBase_angle": 15.785, "planarity": 0.206, "simple_Shear": 0.245, "simple_Stretch": -0.106, "simple_Buckle": -4.368, "simple_Propeller": -15.169, "bp_simpleParams": [ 0.245, -0.106, 0.296, -4.368, -15.169, -3.521 ], "bp_params": [ 0.242, -0.113, 0.296, -4.828, -15.029, -3.549 ], "frame": { "rmsd": null, "origin": [ -46.422, 45.706, -32.780 ], "x_axis": [ 0.560, -0.818, 0.131 ], "y_axis": [ 0.649, 0.336, -0.682 ], "z_axis": [ 0.514, 0.467, 0.719 ], "quaternion": [ 0.809, -0.355, 0.118, -0.454 ] } }, { "index": 21, "nt1": "///Y/31", "nt2": "///Z/52", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": 164.351, "conf1": "anti", "pucker1": "----", "lambda1": 58.178, "chi2": -127.790, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 45.833, "C1C1_dist": 11.183, "N1N9_dist": 9.377, "C6C8_dist": 10.295, "CNNC_torsion": -14.314, "hbonds_num": 3, "hbonds_desc": "N1(imino)*N4(amino)[3.25],N2(amino)-O2(carbonyl)[3.18],N2(amino)-N3[3.02]", "unusual_base2base_hbonds": 1, "interBase_angle": 20.208, "planarity": 0.251, "simple_Shear": 1.076, "simple_Stretch": 0.381, "simple_Buckle": -10.100, "simple_Propeller": -17.503, "bp_simpleParams": [ 1.076, 0.381, 0.217, -10.100, -17.503, 0.292 ], "bp_params": [ 1.114, 0.249, 0.217, -12.100, -16.185, 0.294 ], "frame": { "rmsd": null, "origin": [ -25.288, 50.193, -1.984 ], "x_axis": [ 0.093, -0.980, -0.174 ], "y_axis": [ -0.966, -0.131, 0.221 ], "z_axis": [ -0.240, 0.148, -0.960 ], "quaternion": [ 0.025, 0.739, -0.659, -0.140 ] } }, { "index": 22, "nt1": "///Y/32", "nt2": "///Z/51", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -162.258, "conf1": "anti", "pucker1": "----", "lambda1": 54.214, "chi2": -122.416, "conf2": "anti", "pucker2": "----", "lambda2": 57.751, "C1C1_dist": 10.866, "N1N9_dist": 9.216, "C6C8_dist": 10.230, "CNNC_torsion": -9.231, "hbonds_num": 3, "hbonds_desc": "O2(carbonyl)-N2(amino)[2.95],N3-N1(imino)[3.21],N4(amino)-O6(carbonyl)[3.38]", "interBase_angle": 16.236, "planarity": 0.213, "simple_Shear": -0.175, "simple_Stretch": 0.284, "simple_Buckle": -14.648, "simple_Propeller": -7.003, "bp_simpleParams": [ -0.175, 0.284, 0.362, -14.648, -7.003, 3.754 ], "bp_params": [ -0.180, 0.280, 0.362, -14.527, -7.249, 3.732 ], "frame": { "rmsd": null, "origin": [ -25.307, 50.165, -5.353 ], "x_axis": [ -0.411, -0.908, 0.079 ], "y_axis": [ -0.879, 0.418, 0.231 ], "z_axis": [ -0.243, 0.026, -0.970 ], "quaternion": [ -0.096, -0.534, 0.836, 0.077 ] } }, { "index": 23, "nt1": "///Y/33", "nt2": "///Z/50", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -96.090, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 55.411, "chi2": -100.203, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 53.543, "C1C1_dist": 10.568, "N1N9_dist": 8.853, "C6C8_dist": 9.803, "CNNC_torsion": -0.942, "hbonds_num": 2, "hbonds_desc": "N3(imino)-N1[2.87],O4(carbonyl)-N6(amino)[2.92]", "interBase_angle": 4.116, "planarity": 0.061, "simple_Shear": 0.192, "simple_Stretch": -0.150, "simple_Buckle": 1.889, "simple_Propeller": -3.657, "bp_simpleParams": [ 0.192, -0.150, -0.207, 1.889, -3.657, -0.349 ], "bp_params": [ 0.190, -0.153, -0.207, 1.833, -3.686, -0.349 ], "frame": { "rmsd": null, "origin": [ -25.519, 50.015, -8.277 ], "x_axis": [ -0.756, -0.598, 0.266 ], "y_axis": [ -0.606, 0.793, 0.057 ], "z_axis": [ -0.245, -0.118, -0.962 ], "quaternion": [ -0.136, -0.321, 0.937, -0.016 ] } }, { "index": 24, "nt1": "///Y/34", "nt2": "///Z/49", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -110.715, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 54.488, "chi2": -95.659, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 51.814, "C1C1_dist": 10.735, "N1N9_dist": 8.965, "C6C8_dist": 9.869, "CNNC_torsion": -9.801, "hbonds_num": 2, "hbonds_desc": "N6(amino)-O4(carbonyl)[2.91],N1-N3(imino)[2.89]", "interBase_angle": 13.623, "planarity": 0.172, "simple_Shear": 0.200, "simple_Stretch": -0.082, "simple_Buckle": 2.869, "simple_Propeller": -13.317, "bp_simpleParams": [ 0.200, -0.082, -0.092, 2.869, -13.317, -2.076 ], "bp_params": [ 0.198, -0.087, -0.092, 2.558, -13.381, -2.090 ], "frame": { "rmsd": null, "origin": [ -26.754, 50.505, -11.465 ], "x_axis": [ -0.947, 0.003, 0.321 ], "y_axis": [ -0.051, 0.986, -0.160 ], "z_axis": [ -0.317, -0.168, -0.934 ], "quaternion": [ -0.162, -0.012, 0.983, -0.083 ] } }, { "index": 25, "nt1": "///Y/35", "nt2": "///Z/48", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -106.610, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 55.308, "chi2": -123.903, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 50.027, "C1C1_dist": 10.720, "N1N9_dist": 8.931, "C6C8_dist": 9.801, "CNNC_torsion": -4.880, "hbonds_num": 3, "hbonds_desc": "O2(carbonyl)-N2(amino)[2.89],N3-N1(imino)[2.92],N4(amino)-O6(carbonyl)[2.90]", "interBase_angle": 16.009, "planarity": 0.182, "simple_Shear": 0.548, "simple_Stretch": -0.142, "simple_Buckle": 14.259, "simple_Propeller": -7.278, "bp_simpleParams": [ 0.548, -0.142, -0.182, 14.259, -7.278, -1.596 ], "bp_params": [ 0.541, -0.167, -0.182, 13.922, -7.905, -1.588 ], "frame": { "rmsd": null, "origin": [ -28.778, 49.417, -13.744 ], "x_axis": [ -0.790, 0.501, 0.353 ], "y_axis": [ 0.371, 0.850, -0.374 ], "z_axis": [ -0.488, -0.165, -0.857 ], "quaternion": [ -0.225, 0.233, 0.935, -0.144 ] } }, { "index": 26, "nt1": "///Y/37", "nt2": "///Z/46", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -110.961, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 65.521, "chi2": -147.753, "conf2": "anti", "pucker2": "----", "lambda2": 70.988, "C1C1_dist": 10.228, "N1N9_dist": 9.137, "C6C8_dist": 10.673, "CNNC_torsion": -5.293, "hbonds_num": 2, "hbonds_desc": "O2(carbonyl)-N2(amino)[2.55],N3-N2(amino)[3.02]", "interBase_angle": 16.994, "planarity": 0.227, "simple_Shear": -0.382, "simple_Stretch": 1.079, "simple_Buckle": -16.318, "simple_Propeller": -4.746, "bp_simpleParams": [ -0.382, 1.079, 0.173, -16.318, -4.746, 29.697 ], "bp_params": [ -0.430, 1.061, 0.173, -16.102, -5.435, 29.449 ], "frame": { "rmsd": null, "origin": [ -37.368, 52.413, -20.478 ], "x_axis": [ -0.186, 0.958, 0.220 ], "y_axis": [ 0.723, 0.285, -0.629 ], "z_axis": [ -0.665, 0.042, -0.746 ], "quaternion": [ -0.297, 0.565, 0.744, -0.197 ] } }, { "index": 27, "nt1": "///Y/38", "nt2": "///Z/45", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -116.541, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 57.745, "chi2": -127.509, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 52.977, "C1C1_dist": 11.023, "N1N9_dist": 9.352, "C6C8_dist": 10.408, "CNNC_torsion": -20.532, "hbonds_num": 2, "hbonds_desc": "N6(amino)-O4(carbonyl)[3.80],N1-N3(imino)[3.35]", "interBase_angle": 22.006, "planarity": 0.287, "simple_Shear": 0.495, "simple_Stretch": 0.471, "simple_Buckle": 2.725, "simple_Propeller": -21.837, "bp_simpleParams": [ 0.495, 0.471, 0.352, 2.725, -21.837, 4.463 ], "bp_params": [ 0.520, 0.444, 0.352, 1.521, -21.953, 4.545 ], "frame": { "rmsd": null, "origin": [ -38.135, 49.199, -23.552 ], "x_axis": [ 0.209, 0.842, -0.497 ], "y_axis": [ 0.786, -0.447, -0.427 ], "z_axis": [ -0.582, -0.301, -0.755 ], "quaternion": [ -0.041, 0.776, 0.524, -0.347 ] } }, { "index": 28, "nt1": "///Y/39", "nt2": "///Z/44", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -125.781, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 57.876, "chi2": -113.826, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 53.563, "C1C1_dist": 10.589, "N1N9_dist": 8.933, "C6C8_dist": 9.977, "CNNC_torsion": -13.891, "hbonds_num": 2, "hbonds_desc": "N3(imino)-N1[3.04],O4(carbonyl)-N6(amino)[3.41]", "interBase_angle": 20.330, "planarity": 0.265, "simple_Shear": 0.505, "simple_Stretch": 0.059, "simple_Buckle": 6.614, "simple_Propeller": -19.224, "bp_simpleParams": [ 0.505, 0.059, -0.160, 6.614, -19.224, 5.367 ], "bp_params": [ 0.507, 0.038, -0.160, 5.758, -19.498, 5.439 ], "frame": { "rmsd": null, "origin": [ -40.245, 48.672, -25.724 ], "x_axis": [ 0.597, 0.425, -0.681 ], "y_axis": [ 0.483, -0.868, -0.118 ], "z_axis": [ -0.641, -0.258, -0.723 ], "quaternion": [ 0.039, 0.893, 0.254, -0.370 ] } }, { "index": 29, "nt1": "///Y/40", "nt2": "///Z/43", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -116.972, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 53.033, "chi2": -148.633, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 51.195, "C1C1_dist": 10.718, "N1N9_dist": 8.915, "C6C8_dist": 9.806, "CNNC_torsion": -21.816, "hbonds_num": 3, "hbonds_desc": "O2(carbonyl)-N2(amino)[2.91],N3-N1(imino)[2.86],N4(amino)-O6(carbonyl)[2.92]", "interBase_angle": 24.162, "planarity": 0.316, "simple_Shear": 0.243, "simple_Stretch": -0.203, "simple_Buckle": -4.548, "simple_Propeller": -23.731, "bp_simpleParams": [ 0.243, -0.203, 0.287, -4.548, -23.731, -1.359 ], "bp_params": [ 0.238, -0.209, 0.287, -5.063, -23.626, -1.388 ], "frame": { "rmsd": null, "origin": [ -42.948, 47.867, -28.066 ], "x_axis": [ 0.748, -0.227, -0.624 ], "y_axis": [ 0.044, -0.921, 0.388 ], "z_axis": [ -0.662, -0.317, -0.679 ], "quaternion": [ 0.193, 0.915, -0.050, -0.351 ] } }, { "index": 30, "nt1": "///Y/41", "nt2": "///Z/42", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -104.410, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 52.264, "chi2": -157.031, "conf2": "anti", "pucker2": "~C3'-endo", "lambda2": 48.031, "C1C1_dist": 10.963, "N1N9_dist": 9.073, "C6C8_dist": 9.908, "CNNC_torsion": -15.653, "hbonds_num": 3, "hbonds_desc": "O6(carbonyl)-N4(amino)[2.89],N1(imino)-N3[2.91],N2(amino)-O2(carbonyl)[2.91]", "interBase_angle": 13.353, "planarity": 0.187, "simple_Shear": 0.278, "simple_Stretch": -0.116, "simple_Buckle": 0.942, "simple_Propeller": -13.320, "bp_simpleParams": [ 0.278, -0.116, 0.414, 0.942, -13.320, -4.058 ], "bp_params": [ 0.274, -0.124, 0.414, 0.508, -13.343, -4.086 ], "frame": { "rmsd": null, "origin": [ -44.963, 46.866, -30.258 ], "x_axis": [ 0.744, -0.646, -0.172 ], "y_axis": [ -0.390, -0.629, 0.673 ], "z_axis": [ -0.543, -0.434, -0.719 ], "quaternion": [ 0.315, 0.879, -0.294, -0.203 ] } } ], "num_helices": 5, "helices": [ { "index": 1, "num_stems": 1, "strand1": "GCTAC", "strand2": "CGATG", "bp_type": "|||||", "helix_form": ".BBB", "helical_rise": 3.425, "helical_rise_std": 0.309, "helical_radius": 9.655, "helical_radius_std": 0.643, "helical_axis": [ 0.335, -0.079, 0.939 ], "point1": [ -16.236, 11.984, -29.822 ], "point2": [ -11.596, 10.890, -16.804 ], "num_pairs": 5, "pairs": [ { "index": 1, "nt1": "///U/31", "nt2": "///V/52", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.402, -0.157, 0.463, -9.654, -20.400, -4.562 ], "step_params": [ 0.166, -1.119, 3.162, 3.285, 1.505, 33.757 ], "heli_params": [ -2.148, 0.223, 3.112, 2.582, -5.637, 33.945 ], "bp2_params": [ -0.701, -0.108, 0.255, -8.359, -8.574, -1.774 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.162, "simple_Twist": 39.691, "simple_hRise": 3.123, "simple_hTwist": 39.849 }, { "index": 2, "nt1": "///U/32", "nt2": "///V/51", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.701, -0.108, 0.255, -8.359, -8.574, -1.774 ], "step_params": [ -0.424, -0.457, 3.366, 2.658, 7.054, 29.780 ], "heli_params": [ -2.262, 1.327, 3.129, 13.455, -5.070, 30.698 ], "bp2_params": [ -0.743, -0.110, -0.081, -7.641, -10.841, -1.455 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.366, "simple_Twist": 30.282, "simple_hRise": 3.134, "simple_hTwist": 31.185 }, { "index": 3, "nt1": "///U/33", "nt2": "///V/50", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.743, -0.110, -0.081, -7.641, -10.841, -1.455 ], "step_params": [ 0.389, 0.624, 3.058, -1.419, 6.754, 35.961 ], "heli_params": [ 0.111, -0.806, 3.103, 10.816, 2.272, 36.596 ], "bp2_params": [ -0.510, -0.238, 0.248, 5.242, -7.079, -1.338 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.058, "simple_Twist": 34.952, "simple_hRise": 3.103, "simple_hTwist": 35.606 }, { "index": 4, "nt1": "///U/34", "nt2": "///V/49", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.510, -0.238, 0.248, 5.242, -7.079, -1.338 ], "step_params": [ 0.546, -0.273, 3.036, 6.574, 6.629, 32.553 ], "heli_params": [ -1.473, 0.057, 2.975, 11.534, -11.438, 33.830 ], "bp2_params": [ 0.857, -0.268, -0.488, 18.685, -9.160, 0.525 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.036, "simple_Twist": 25.255, "simple_hRise": 2.918, "simple_hTwist": 26.899 }, { "index": 5, "nt1": "///U/35", "nt2": "///V/48", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W" } ] }, { "index": 2, "num_stems": 1, "strand1": "CATCG", "strand2": "GTAGC", "bp_type": "|||||", "helix_form": ".BBB", "helical_rise": 3.371, "helical_rise_std": 0.297, "helical_radius": 9.063, "helical_radius_std": 1.042, "helical_axis": [ 0.582, -0.439, 0.685 ], "point1": [ -4.396, 10.202, -10.331 ], "point2": [ 3.417, 4.309, -1.130 ], "num_pairs": 5, "pairs": [ { "index": 1, "nt1": "///U/37", "nt2": "///V/46", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.141, 0.541, 0.195, -19.104, 5.756, 15.986 ], "step_params": [ -1.898, 1.272, 3.123, -6.151, -16.791, 35.482 ], "heli_params": [ 3.693, 2.136, 2.573, -25.642, 9.393, 39.603 ], "bp2_params": [ -0.480, 0.106, 0.655, 4.084, -14.614, 0.827 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.123, "simple_Twist": 37.042, "simple_hRise": 2.605, "simple_hTwist": 40.995 }, { "index": 2, "nt1": "///U/38", "nt2": "///V/45", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.480, 0.106, 0.655, 4.084, -14.614, 0.827 ], "step_params": [ -0.574, -0.577, 3.380, 2.328, -1.252, 39.904 ], "heli_params": [ -0.695, 1.115, 3.358, -1.832, -3.407, 39.988 ], "bp2_params": [ 0.795, -0.357, 0.103, 0.298, -17.638, -6.205 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.380, "simple_Twist": 33.180, "simple_hRise": 3.352, "simple_hTwist": 33.282 }, { "index": 3, "nt1": "///U/39", "nt2": "///V/44", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.795, -0.357, 0.103, 0.298, -17.638, -6.205 ], "step_params": [ 0.386, -0.074, 3.379, -1.467, -2.904, 35.490 ], "heli_params": [ 0.314, -0.851, 3.357, -4.751, 2.400, 35.634 ], "bp2_params": [ 0.103, -0.019, 0.671, -6.718, -24.946, 5.528 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.379, "simple_Twist": 38.707, "simple_hRise": 3.360, "simple_hTwist": 38.838 }, { "index": 4, "nt1": "///U/40", "nt2": "///V/43", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.103, -0.019, 0.671, -6.718, -24.946, 5.528 ], "step_params": [ -0.139, 0.248, 3.057, -4.027, 4.514, 40.186 ], "heli_params": [ -0.115, -0.222, 3.066, 6.525, 5.821, 40.620 ], "bp2_params": [ 0.697, 0.082, 0.970, 1.551, -21.097, 6.438 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.057, "simple_Twist": 37.468, "simple_hRise": 3.064, "simple_hTwist": 37.936 }, { "index": 5, "nt1": "///U/41", "nt2": "///V/42", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W" } ] }, { "index": 3, "num_stems": 1, "strand1": "GCTAC", "strand2": "CGATG", "bp_type": "|||||", "helix_form": "BBB.", "helical_rise": 3.428, "helical_rise_std": 0.281, "helical_radius": 9.844, "helical_radius_std": 0.700, "helical_axis": [ -0.018, 0.340, 0.940 ], "point1": [ -50.237, 25.458, -61.849 ], "point2": [ -50.485, 30.188, -48.788 ], "num_pairs": 5, "pairs": [ { "index": 1, "nt1": "///W/31", "nt2": "///X/52", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.747, -0.312, 0.177, -5.254, -14.680, -3.295 ], "step_params": [ 0.166, -1.407, 3.459, 1.497, 9.542, 40.380 ], "heli_params": [ -3.017, -0.073, 3.067, 13.590, -2.132, 41.472 ], "bp2_params": [ 0.304, -0.134, 0.260, -14.670, -8.527, -0.653 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.459, "simple_Twist": 34.596, "simple_hRise": 2.983, "simple_hTwist": 35.880 }, { "index": 2, "nt1": "///W/32", "nt2": "///X/51", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.304, -0.134, 0.260, -14.670, -8.527, -0.653 ], "step_params": [ -0.631, -0.621, 3.232, 2.682, 7.972, 24.158 ], "heli_params": [ -3.557, 2.150, 2.801, 18.350, -6.173, 25.560 ], "bp2_params": [ -0.344, -0.080, 0.050, -13.608, -8.940, -0.129 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.232, "simple_Twist": 27.949, "simple_hRise": 2.876, "simple_hTwist": 29.163 }, { "index": 3, "nt1": "///W/33", "nt2": "///X/50", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.344, -0.080, 0.050, -13.608, -8.940, -0.129 ], "step_params": [ 0.167, 0.711, 3.036, -2.167, 2.733, 40.628 ], "heli_params": [ 0.739, -0.463, 3.063, 3.927, 3.113, 40.771 ], "bp2_params": [ 0.542, -0.088, 0.278, 3.197, -10.546, -3.840 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.036, "simple_Twist": 36.112, "simple_hRise": 3.065, "simple_hTwist": 36.274 }, { "index": 4, "nt1": "///W/34", "nt2": "///X/49", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.542, -0.088, 0.278, 3.197, -10.546, -3.840 ], "step_params": [ 0.861, -0.399, 3.058, 3.406, 8.149, 30.732 ], "heli_params": [ -2.106, -0.987, 2.935, 14.991, -6.266, 31.947 ], "bp2_params": [ 1.461, 0.136, -0.076, 15.598, -3.844, 10.535 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.058, "simple_Twist": 25.741, "simple_hRise": 2.887, "simple_hTwist": 27.190 }, { "index": 5, "nt1": "///W/35", "nt2": "///X/48", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W" } ] }, { "index": 4, "num_stems": 2, "strand1": "CATCGCGATG", "strand2": "GTAGCGCTAC", "bp_type": "||||||||||", "helix_form": ".BBBxBBB.", "helical_rise": 3.169, "helical_rise_std": 0.624, "helical_radius": 9.378, "helical_radius_std": 0.662, "helical_axis": [ 0.503, 0.465, 0.728 ], "point1": [ -51.687, 38.433, -41.859 ], "point2": [ -37.645, 51.417, -21.537 ], "num_pairs": 10, "pairs": [ { "index": 1, "nt1": "///W/37", "nt2": "///X/46", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -1.548, 1.153, -0.003, -35.215, -6.346, 42.664 ], "step_params": [ -3.271, 1.586, 3.166, -4.402, -17.439, 47.179 ], "heli_params": [ 3.034, 3.553, 2.733, -20.921, 5.281, 50.307 ], "bp2_params": [ -0.898, 0.534, -0.119, -3.435, -17.443, -1.438 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.166, "simple_Twist": 42.321, "simple_hRise": 2.660, "simple_hTwist": 45.822 }, { "index": 2, "nt1": "///W/38", "nt2": "///X/45", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.898, 0.534, -0.119, -3.435, -17.443, -1.438 ], "step_params": [ 0.131, -0.521, 3.197, -0.820, -0.141, 41.577 ], "heli_params": [ -0.719, -0.269, 3.195, -0.199, 1.155, 41.585 ], "bp2_params": [ 0.746, 0.269, 0.088, -2.733, -17.519, 6.172 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.197, "simple_Twist": 33.316, "simple_hRise": 3.195, "simple_hTwist": 33.326 }, { "index": 3, "nt1": "///W/39", "nt2": "///X/44", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.746, 0.269, 0.088, -2.733, -17.519, 6.172 ], "step_params": [ -0.477, -0.321, 3.385, -5.676, -5.656, 34.608 ], "heli_params": [ 0.347, -0.094, 3.426, -9.352, 9.386, 35.496 ], "bp2_params": [ -0.167, -0.146, 0.540, -12.680, -20.420, -3.029 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.385, "simple_Twist": 38.807, "simple_hRise": 3.430, "simple_hTwist": 39.595 }, { "index": 4, "nt1": "///W/40", "nt2": "///X/43", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.167, -0.146, 0.540, -12.680, -20.420, -3.029 ], "step_params": [ 0.027, 0.069, 3.151, -1.629, 8.339, 38.476 ], "heli_params": [ -0.852, -0.227, 3.095, 12.470, 2.436, 39.369 ], "bp2_params": [ 0.242, -0.113, 0.296, -4.828, -15.029, -3.549 ], "groove_widths": [ null, null, 18.237, null ], "simple_Rise": 3.151, "simple_Twist": 36.741, "simple_hRise": 3.089, "simple_hTwist": 37.678 }, { "index": 5, "nt1": "///W/41", "nt2": "///X/42", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.242, -0.113, 0.296, -4.828, -15.029, -3.549 ], "step_params": [ 0.051, -0.412, 3.108, 0.079, 2.536, 22.575 ], "heli_params": [ -1.910, -0.103, 3.044, 6.451, -0.201, 22.715 ], "bp2_params": [ -0.274, -0.124, 0.414, -0.508, -13.343, -4.086 ], "groove_widths": [ 16.030, null, 16.511, 15.081 ], "simple_Rise": 3.108, "simple_Twist": 25.440, "simple_hRise": 3.053, "simple_hTwist": 25.564 }, { "index": 6, "nt1": "///Z/42", "nt2": "///Y/41", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.274, -0.124, 0.414, -0.508, -13.343, -4.086 ], "step_params": [ 0.180, -0.120, 3.134, 2.881, 9.409, 34.667 ], "heli_params": [ -1.476, 0.101, 3.005, 15.410, -4.719, 35.995 ], "bp2_params": [ -0.238, -0.209, 0.287, 5.063, -23.626, -1.388 ], "groove_widths": [ null, null, 18.905, null ], "simple_Rise": 3.134, "simple_Twist": 34.804, "simple_hRise": 3.006, "simple_hTwist": 36.127 }, { "index": 7, "nt1": "///Z/43", "nt2": "///Y/40", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.238, -0.209, 0.287, 5.063, -23.626, -1.388 ], "step_params": [ 0.355, -0.293, 3.637, 3.250, -2.944, 39.127 ], "heli_params": [ -0.045, -0.095, 3.665, -4.379, -4.834, 39.362 ], "bp2_params": [ -0.507, 0.038, -0.160, -5.758, -19.498, 5.439 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.637, "simple_Twist": 39.969, "simple_hRise": 3.665, "simple_hTwist": 40.199 }, { "index": 8, "nt1": "///Z/44", "nt2": "///Y/39", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.507, 0.038, -0.160, -5.758, -19.498, 5.439 ], "step_params": [ -0.062, -0.411, 3.045, -4.481, -0.973, 34.858 ], "heli_params": [ -0.545, -0.523, 3.040, -1.616, 7.440, 35.149 ], "bp2_params": [ -0.520, 0.444, 0.352, -1.521, -21.953, 4.545 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.045, "simple_Twist": 35.248, "simple_hRise": 3.040, "simple_hTwist": 35.536 }, { "index": 9, "nt1": "///Z/45", "nt2": "///Y/38", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.520, 0.444, 0.352, -1.521, -21.953, 4.545 ], "step_params": [ 2.655, 1.657, 3.252, 6.068, -19.412, 45.056 ], "heli_params": [ 3.377, -2.754, 2.683, -23.945, -7.484, 49.215 ], "bp2_params": [ 0.430, 1.061, 0.173, 16.102, -5.435, 29.449 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.252, "simple_Twist": 39.994, "simple_hRise": 2.582, "simple_hTwist": 44.679 }, { "index": 10, "nt1": "///Z/46", "nt2": "///Y/37", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W" } ] }, { "index": 5, "num_stems": 1, "strand1": "GCTAC", "strand2": "CGATG", "bp_type": "|||||", "helix_form": ".BB.", "helical_rise": 3.340, "helical_rise_std": 0.225, "helical_radius": 9.939, "helical_radius_std": 0.440, "helical_axis": [ -0.384, 0.056, -0.922 ], "point1": [ -24.261, 49.354, -1.665 ], "point2": [ -29.446, 50.115, -14.109 ], "num_pairs": 5, "pairs": [ { "index": 1, "nt1": "///Y/31", "nt2": "///Z/52", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 1.114, 0.249, 0.217, -12.100, -16.185, 0.294 ], "step_params": [ 0.190, -0.836, 3.258, 0.998, 6.945, 32.304 ], "heli_params": [ -2.613, -0.169, 3.022, 12.301, -1.768, 33.037 ], "bp2_params": [ -0.180, 0.280, 0.362, -14.527, -7.249, 3.732 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.258, "simple_Twist": 39.130, "simple_hRise": 3.074, "simple_hTwist": 39.729 }, { "index": 2, "nt1": "///Y/32", "nt2": "///Z/51", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.180, 0.280, 0.362, -14.527, -7.249, 3.732 ], "step_params": [ -0.308, -0.408, 2.892, 5.020, 6.561, 28.285 ], "heli_params": [ -2.013, 1.532, 2.640, 13.078, -10.005, 29.443 ], "bp2_params": [ 0.190, -0.153, -0.207, 1.833, -3.686, -0.349 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 2.892, "simple_Twist": 26.786, "simple_hRise": 2.620, "simple_hTwist": 28.009 }, { "index": 3, "nt1": "///Y/33", "nt2": "///Z/50", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.190, -0.153, -0.207, 1.833, -3.686, -0.349 ], "step_params": [ -0.044, 1.009, 3.302, 1.324, 5.104, 36.541 ], "heli_params": [ 0.884, 0.253, 3.404, 8.088, -2.097, 36.907 ], "bp2_params": [ 0.198, -0.087, -0.092, 2.558, -13.381, -2.090 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.302, "simple_Twist": 36.389, "simple_hRise": 3.404, "simple_hTwist": 36.756 }, { "index": 4, "nt1": "///Y/34", "nt2": "///Z/49", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.198, -0.087, -0.092, 2.558, -13.381, -2.090 ], "step_params": [ 0.725, -0.809, 3.049, 2.682, 10.401, 28.516 ], "heli_params": [ -3.416, -0.897, 2.653, 20.230, -5.217, 30.433 ], "bp2_params": [ 0.541, -0.167, -0.182, 13.922, -7.905, -1.588 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.049, "simple_Twist": 27.033, "simple_hRise": 2.623, "simple_hTwist": 29.052 }, { "index": 5, "nt1": "///Y/35", "nt2": "///Z/48", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W" } ] } ], "num_stems": 6, "stems": [ { "index": 1, "helix_index": 1, "strand1": "GCTAC", "strand2": "CGATG", "bp_type": "|||||", "helix_form": ".BBB", "helical_rise": 3.425, "helical_rise_std": 0.309, "helical_radius": 9.655, "helical_radius_std": 0.643, "helical_axis": [ 0.335, -0.079, 0.939 ], "point1": [ -16.236, 11.984, -29.822 ], "point2": [ -11.596, 10.890, -16.804 ], "num_pairs": 5, "pairs": [ { "index": 1, "nt1": "///U/31", "nt2": "///V/52", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.402, -0.157, 0.463, -9.654, -20.400, -4.562 ], "step_params": [ 0.166, -1.119, 3.162, 3.285, 1.505, 33.757 ], "heli_params": [ -2.148, 0.223, 3.112, 2.582, -5.637, 33.945 ], "bp2_params": [ -0.701, -0.108, 0.255, -8.359, -8.574, -1.774 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.162, "simple_Twist": 39.691, "simple_hRise": 3.123, "simple_hTwist": 39.849 }, { "index": 2, "nt1": "///U/32", "nt2": "///V/51", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.701, -0.108, 0.255, -8.359, -8.574, -1.774 ], "step_params": [ -0.424, -0.457, 3.366, 2.658, 7.054, 29.780 ], "heli_params": [ -2.262, 1.327, 3.129, 13.455, -5.070, 30.698 ], "bp2_params": [ -0.743, -0.110, -0.081, -7.641, -10.841, -1.455 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.366, "simple_Twist": 30.282, "simple_hRise": 3.134, "simple_hTwist": 31.185 }, { "index": 3, "nt1": "///U/33", "nt2": "///V/50", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.743, -0.110, -0.081, -7.641, -10.841, -1.455 ], "step_params": [ 0.389, 0.624, 3.058, -1.419, 6.754, 35.961 ], "heli_params": [ 0.111, -0.806, 3.103, 10.816, 2.272, 36.596 ], "bp2_params": [ -0.510, -0.238, 0.248, 5.242, -7.079, -1.338 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.058, "simple_Twist": 34.952, "simple_hRise": 3.103, "simple_hTwist": 35.606 }, { "index": 4, "nt1": "///U/34", "nt2": "///V/49", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.510, -0.238, 0.248, 5.242, -7.079, -1.338 ], "step_params": [ 0.546, -0.273, 3.036, 6.574, 6.629, 32.553 ], "heli_params": [ -1.473, 0.057, 2.975, 11.534, -11.438, 33.830 ], "bp2_params": [ 0.857, -0.268, -0.488, 18.685, -9.160, 0.525 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.036, "simple_Twist": 25.255, "simple_hRise": 2.918, "simple_hTwist": 26.899 }, { "index": 5, "nt1": "///U/35", "nt2": "///V/48", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W" } ] }, { "index": 2, "helix_index": 2, "strand1": "CATCG", "strand2": "GTAGC", "bp_type": "|||||", "helix_form": ".BBB", "helical_rise": 3.371, "helical_rise_std": 0.297, "helical_radius": 9.063, "helical_radius_std": 1.042, "helical_axis": [ 0.582, -0.439, 0.685 ], "point1": [ -4.396, 10.202, -10.331 ], "point2": [ 3.417, 4.309, -1.130 ], "num_pairs": 5, "pairs": [ { "index": 1, "nt1": "///U/37", "nt2": "///V/46", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.141, 0.541, 0.195, -19.104, 5.756, 15.986 ], "step_params": [ -1.898, 1.272, 3.123, -6.151, -16.791, 35.482 ], "heli_params": [ 3.693, 2.136, 2.573, -25.642, 9.393, 39.603 ], "bp2_params": [ -0.480, 0.106, 0.655, 4.084, -14.614, 0.827 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.123, "simple_Twist": 37.042, "simple_hRise": 2.605, "simple_hTwist": 40.995 }, { "index": 2, "nt1": "///U/38", "nt2": "///V/45", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.480, 0.106, 0.655, 4.084, -14.614, 0.827 ], "step_params": [ -0.574, -0.577, 3.380, 2.328, -1.252, 39.904 ], "heli_params": [ -0.695, 1.115, 3.358, -1.832, -3.407, 39.988 ], "bp2_params": [ 0.795, -0.357, 0.103, 0.298, -17.638, -6.205 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.380, "simple_Twist": 33.180, "simple_hRise": 3.352, "simple_hTwist": 33.282 }, { "index": 3, "nt1": "///U/39", "nt2": "///V/44", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.795, -0.357, 0.103, 0.298, -17.638, -6.205 ], "step_params": [ 0.386, -0.074, 3.379, -1.467, -2.904, 35.490 ], "heli_params": [ 0.314, -0.851, 3.357, -4.751, 2.400, 35.634 ], "bp2_params": [ 0.103, -0.019, 0.671, -6.718, -24.946, 5.528 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.379, "simple_Twist": 38.707, "simple_hRise": 3.360, "simple_hTwist": 38.838 }, { "index": 4, "nt1": "///U/40", "nt2": "///V/43", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.103, -0.019, 0.671, -6.718, -24.946, 5.528 ], "step_params": [ -0.139, 0.248, 3.057, -4.027, 4.514, 40.186 ], "heli_params": [ -0.115, -0.222, 3.066, 6.525, 5.821, 40.620 ], "bp2_params": [ 0.697, 0.082, 0.970, 1.551, -21.097, 6.438 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.057, "simple_Twist": 37.468, "simple_hRise": 3.064, "simple_hTwist": 37.936 }, { "index": 5, "nt1": "///U/41", "nt2": "///V/42", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W" } ] }, { "index": 3, "helix_index": 3, "strand1": "GCTAC", "strand2": "CGATG", "bp_type": "|||||", "helix_form": "BBB.", "helical_rise": 3.428, "helical_rise_std": 0.281, "helical_radius": 9.844, "helical_radius_std": 0.700, "helical_axis": [ -0.018, 0.340, 0.940 ], "point1": [ -50.237, 25.458, -61.849 ], "point2": [ -50.485, 30.188, -48.788 ], "num_pairs": 5, "pairs": [ { "index": 1, "nt1": "///W/31", "nt2": "///X/52", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.747, -0.312, 0.177, -5.254, -14.680, -3.295 ], "step_params": [ 0.166, -1.407, 3.459, 1.497, 9.542, 40.380 ], "heli_params": [ -3.017, -0.073, 3.067, 13.590, -2.132, 41.472 ], "bp2_params": [ 0.304, -0.134, 0.260, -14.670, -8.527, -0.653 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.459, "simple_Twist": 34.596, "simple_hRise": 2.983, "simple_hTwist": 35.880 }, { "index": 2, "nt1": "///W/32", "nt2": "///X/51", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.304, -0.134, 0.260, -14.670, -8.527, -0.653 ], "step_params": [ -0.631, -0.621, 3.232, 2.682, 7.972, 24.158 ], "heli_params": [ -3.557, 2.150, 2.801, 18.350, -6.173, 25.560 ], "bp2_params": [ -0.344, -0.080, 0.050, -13.608, -8.940, -0.129 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.232, "simple_Twist": 27.949, "simple_hRise": 2.876, "simple_hTwist": 29.163 }, { "index": 3, "nt1": "///W/33", "nt2": "///X/50", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.344, -0.080, 0.050, -13.608, -8.940, -0.129 ], "step_params": [ 0.167, 0.711, 3.036, -2.167, 2.733, 40.628 ], "heli_params": [ 0.739, -0.463, 3.063, 3.927, 3.113, 40.771 ], "bp2_params": [ 0.542, -0.088, 0.278, 3.197, -10.546, -3.840 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.036, "simple_Twist": 36.112, "simple_hRise": 3.065, "simple_hTwist": 36.274 }, { "index": 4, "nt1": "///W/34", "nt2": "///X/49", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.542, -0.088, 0.278, 3.197, -10.546, -3.840 ], "step_params": [ 0.861, -0.399, 3.058, 3.406, 8.149, 30.732 ], "heli_params": [ -2.106, -0.987, 2.935, 14.991, -6.266, 31.947 ], "bp2_params": [ 1.461, 0.136, -0.076, 15.598, -3.844, 10.535 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.058, "simple_Twist": 25.741, "simple_hRise": 2.887, "simple_hTwist": 27.190 }, { "index": 5, "nt1": "///W/35", "nt2": "///X/48", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W" } ] }, { "index": 4, "helix_index": 4, "strand1": "CATCG", "strand2": "GTAGC", "bp_type": "|||||", "helix_form": ".BBB", "helical_rise": 3.409, "helical_rise_std": 0.423, "helical_radius": 9.075, "helical_radius_std": 0.960, "helical_axis": [ 0.320, 0.620, 0.717 ], "point1": [ -50.749, 37.456, -42.279 ], "point2": [ -46.398, 45.889, -32.520 ], "num_pairs": 5, "pairs": [ { "index": 1, "nt1": "///W/37", "nt2": "///X/46", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -1.548, 1.153, -0.003, -35.215, -6.346, 42.664 ], "step_params": [ -3.271, 1.586, 3.166, -4.402, -17.439, 47.179 ], "heli_params": [ 3.034, 3.553, 2.733, -20.921, 5.281, 50.307 ], "bp2_params": [ -0.898, 0.534, -0.119, -3.435, -17.443, -1.438 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.166, "simple_Twist": 42.321, "simple_hRise": 2.660, "simple_hTwist": 45.822 }, { "index": 2, "nt1": "///W/38", "nt2": "///X/45", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.898, 0.534, -0.119, -3.435, -17.443, -1.438 ], "step_params": [ 0.131, -0.521, 3.197, -0.820, -0.141, 41.577 ], "heli_params": [ -0.719, -0.269, 3.195, -0.199, 1.155, 41.585 ], "bp2_params": [ 0.746, 0.269, 0.088, -2.733, -17.519, 6.172 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.197, "simple_Twist": 33.316, "simple_hRise": 3.195, "simple_hTwist": 33.326 }, { "index": 3, "nt1": "///W/39", "nt2": "///X/44", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.746, 0.269, 0.088, -2.733, -17.519, 6.172 ], "step_params": [ -0.477, -0.321, 3.385, -5.676, -5.656, 34.608 ], "heli_params": [ 0.347, -0.094, 3.426, -9.352, 9.386, 35.496 ], "bp2_params": [ -0.167, -0.146, 0.540, -12.680, -20.420, -3.029 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.385, "simple_Twist": 38.807, "simple_hRise": 3.430, "simple_hTwist": 39.595 }, { "index": 4, "nt1": "///W/40", "nt2": "///X/43", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.167, -0.146, 0.540, -12.680, -20.420, -3.029 ], "step_params": [ 0.027, 0.069, 3.151, -1.629, 8.339, 38.476 ], "heli_params": [ -0.852, -0.227, 3.095, 12.470, 2.436, 39.369 ], "bp2_params": [ 0.242, -0.113, 0.296, -4.828, -15.029, -3.549 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.151, "simple_Twist": 36.741, "simple_hRise": 3.089, "simple_hTwist": 37.678 }, { "index": 5, "nt1": "///W/41", "nt2": "///X/42", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W" } ] }, { "index": 5, "helix_index": 5, "strand1": "GCTAC", "strand2": "CGATG", "bp_type": "|||||", "helix_form": ".BB.", "helical_rise": 3.340, "helical_rise_std": 0.225, "helical_radius": 9.939, "helical_radius_std": 0.440, "helical_axis": [ -0.384, 0.056, -0.922 ], "point1": [ -24.261, 49.354, -1.665 ], "point2": [ -29.446, 50.115, -14.109 ], "num_pairs": 5, "pairs": [ { "index": 1, "nt1": "///Y/31", "nt2": "///Z/52", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 1.114, 0.249, 0.217, -12.100, -16.185, 0.294 ], "step_params": [ 0.190, -0.836, 3.258, 0.998, 6.945, 32.304 ], "heli_params": [ -2.613, -0.169, 3.022, 12.301, -1.768, 33.037 ], "bp2_params": [ -0.180, 0.280, 0.362, -14.527, -7.249, 3.732 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.258, "simple_Twist": 39.130, "simple_hRise": 3.074, "simple_hTwist": 39.729 }, { "index": 2, "nt1": "///Y/32", "nt2": "///Z/51", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.180, 0.280, 0.362, -14.527, -7.249, 3.732 ], "step_params": [ -0.308, -0.408, 2.892, 5.020, 6.561, 28.285 ], "heli_params": [ -2.013, 1.532, 2.640, 13.078, -10.005, 29.443 ], "bp2_params": [ 0.190, -0.153, -0.207, 1.833, -3.686, -0.349 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 2.892, "simple_Twist": 26.786, "simple_hRise": 2.620, "simple_hTwist": 28.009 }, { "index": 3, "nt1": "///Y/33", "nt2": "///Z/50", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.190, -0.153, -0.207, 1.833, -3.686, -0.349 ], "step_params": [ -0.044, 1.009, 3.302, 1.324, 5.104, 36.541 ], "heli_params": [ 0.884, 0.253, 3.404, 8.088, -2.097, 36.907 ], "bp2_params": [ 0.198, -0.087, -0.092, 2.558, -13.381, -2.090 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.302, "simple_Twist": 36.389, "simple_hRise": 3.404, "simple_hTwist": 36.756 }, { "index": 4, "nt1": "///Y/34", "nt2": "///Z/49", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.198, -0.087, -0.092, 2.558, -13.381, -2.090 ], "step_params": [ 0.725, -0.809, 3.049, 2.682, 10.401, 28.516 ], "heli_params": [ -3.416, -0.897, 2.653, 20.230, -5.217, 30.433 ], "bp2_params": [ 0.541, -0.167, -0.182, 13.922, -7.905, -1.588 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.049, "simple_Twist": 27.033, "simple_hRise": 2.623, "simple_hTwist": 29.052 }, { "index": 5, "nt1": "///Y/35", "nt2": "///Z/48", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W" } ] }, { "index": 6, "helix_index": 4, "strand1": "CATCG", "strand2": "GTAGC", "bp_type": "|||||", "helix_form": ".BBB", "helical_rise": 3.336, "helical_rise_std": 0.331, "helical_radius": 9.153, "helical_radius_std": 0.977, "helical_axis": [ -0.637, -0.283, -0.717 ], "point1": [ -36.311, 49.912, -21.207 ], "point2": [ -44.756, 46.154, -30.721 ], "num_pairs": 5, "pairs": [ { "index": 1, "nt1": "///Y/37", "nt2": "///Z/46", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.430, 1.061, 0.173, -16.102, -5.435, 29.449 ], "step_params": [ -2.655, 1.657, 3.252, -6.068, -19.412, 45.056 ], "heli_params": [ 3.377, 2.754, 2.683, -23.945, 7.484, 49.215 ], "bp2_params": [ 0.520, 0.444, 0.352, 1.521, -21.953, 4.545 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.252, "simple_Twist": 39.994, "simple_hRise": 2.582, "simple_hTwist": 44.679 }, { "index": 2, "nt1": "///Y/38", "nt2": "///Z/45", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.520, 0.444, 0.352, 1.521, -21.953, 4.545 ], "step_params": [ 0.062, -0.411, 3.045, 4.481, -0.973, 34.858 ], "heli_params": [ -0.545, 0.523, 3.040, -1.616, -7.440, 35.149 ], "bp2_params": [ 0.507, 0.038, -0.160, 5.758, -19.498, 5.439 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.045, "simple_Twist": 35.248, "simple_hRise": 3.040, "simple_hTwist": 35.536 }, { "index": 3, "nt1": "///Y/39", "nt2": "///Z/44", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.507, 0.038, -0.160, 5.758, -19.498, 5.439 ], "step_params": [ -0.355, -0.293, 3.637, -3.250, -2.944, 39.127 ], "heli_params": [ -0.045, 0.095, 3.665, -4.379, 4.834, 39.362 ], "bp2_params": [ 0.238, -0.209, 0.287, -5.063, -23.626, -1.388 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.637, "simple_Twist": 39.969, "simple_hRise": 3.665, "simple_hTwist": 40.199 }, { "index": 4, "nt1": "///Y/40", "nt2": "///Z/43", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.238, -0.209, 0.287, -5.063, -23.626, -1.388 ], "step_params": [ -0.180, -0.120, 3.134, -2.881, 9.409, 34.667 ], "heli_params": [ -1.476, -0.101, 3.005, 15.410, 4.719, 35.995 ], "bp2_params": [ 0.274, -0.124, 0.414, 0.508, -13.343, -4.086 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.134, "simple_Twist": 34.804, "simple_hRise": 3.006, "simple_hTwist": 36.127 }, { "index": 5, "nt1": "///Y/41", "nt2": "///Z/42", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W" } ] } ], "num_coaxStacks": 1, "coaxStacks": [ { "index": 1, "helix_index": 4, "num_stems": 2, "stem_indices": [ 4, 6 ] } ], "num_stacks": 5, "stacks": [ { "index": 1, "num_nts": 2, "nts_short": "GC", "nts_long": "///W/41,///Z/42" }, { "index": 2, "num_nts": 2, "nts_short": "CG", "nts_long": "///X/42,///Y/41" }, { "index": 3, "num_nts": 4, "nts_short": "CRGG", "nts_long": "///U/37,///A/208,///V/47,///V/48" }, { "index": 4, "num_nts": 4, "nts_short": "CRGG", "nts_long": "///W/37,///B/208,///X/47,///X/48" }, { "index": 5, "num_nts": 4, "nts_short": "CRGG", "nts_long": "///Y/37,///C/208,///Z/47,///Z/48" } ], "num_iloops": 3, "iloops": [ { "index": 1, "type": "symmetric internal loop", "bridging_nts": [ 1, 1 ], "stem_indices": [ 1, 2 ], "summary": "[2] 1 1 [U.35 V.48 U.37 V.46] 5 5", "num_nts": 6, "nts_short": "C?CGGG", "nts_long": "///U/35,///U/36,///U/37,///V/46,///V/47,///V/48", "num_stems": 2, "bridges": [ { "index": 1, "num_nts": 1, "nts_short": "?", "nts_long": "///U/36" }, { "index": 2, "num_nts": 1, "nts_short": "G", "nts_long": "///V/47" } ] }, { "index": 2, "type": "symmetric internal loop", "bridging_nts": [ 1, 1 ], "stem_indices": [ 3, 4 ], "summary": "[2] 1 1 [W.35 X.48 W.37 X.46] 5 5", "num_nts": 6, "nts_short": "C?CGGG", "nts_long": "///W/35,///W/36,///W/37,///X/46,///X/47,///X/48", "num_stems": 2, "bridges": [ { "index": 1, "num_nts": 1, "nts_short": "?", "nts_long": "///W/36" }, { "index": 2, "num_nts": 1, "nts_short": "G", "nts_long": "///X/47" } ] }, { "index": 3, "type": "symmetric internal loop", "bridging_nts": [ 1, 1 ], "stem_indices": [ 5, 6 ], "summary": "[2] 1 1 [Y.35 Z.48 Y.37 Z.46] 5 5", "num_nts": 6, "nts_short": "C?CGGG", "nts_long": "///Y/35,///Y/36,///Y/37,///Z/46,///Z/47,///Z/48", "num_stems": 2, "bridges": [ { "index": 1, "num_nts": 1, "nts_short": "?", "nts_long": "///Y/36" }, { "index": 2, "num_nts": 1, "nts_short": "G", "nts_long": "///Z/47" } ] } ], "dbn": { "all_chains": { "num_nts": 66, "num_chars": 71, "bseq": "GCTAC?CATCG&CGATGGGTAGC&GCTAC?CATCG&CGATGGGTAGC&GCTAC?CATCG&CGATGGGTAGC", "bseqUP": "GCTAC?CATCG&CGATGGGTAGC&GCTAC?CATCG&CGATGGGTAGC&GCTAC?CATCG&CGATGGGTAGC", "sstr": "(((((.(((((&))))).)))))&(((((.(((((&))))).)))))&(((((.(((((&))))).)))))", "form": ".BB.--..BB-&BBBB..BBBB-&..BB--..BB-&BBB..B.BB.-&B.B.--.BBB-&BBB....BBB-" }, "chain_U": { "num_nts": 11, "num_chars": 11, "bseq": "GCTAC?CATCG", "bseqUP": "GCTAC?CATCG", "sstr": "(((((.(((((", "form": ".BB.--..BB-" }, "chain_V": { "num_nts": 11, "num_chars": 11, "bseq": "CGATGGGTAGC", "bseqUP": "CGATGGGTAGC", "sstr": "))))).)))))", "form": "BBBB..BBBB-" }, "chain_W": { "num_nts": 11, "num_chars": 11, "bseq": "GCTAC?CATCG", "bseqUP": "GCTAC?CATCG", "sstr": "(((((.(((((", "form": "..BB--..BB-" }, "chain_X": { "num_nts": 11, "num_chars": 11, "bseq": "CGATGGGTAGC", "bseqUP": "CGATGGGTAGC", "sstr": "))))).)))))", "form": "BBB..B.BB.-" }, "chain_Y": { "num_nts": 11, "num_chars": 11, "bseq": "GCTAC?CATCG", "bseqUP": "GCTAC?CATCG", "sstr": "(((((.(((((", "form": "B.B.--.BBB-" }, "chain_Z": { "num_nts": 11, "num_chars": 11, "bseq": "CGATGGGTAGC", "bseqUP": "CGATGGGTAGC", "sstr": "))))).)))))", "form": "BBB....BBB-" } }, "chains": { "chain_U": { "num_nts": 11, "bseq": "GCTAC?CATCG", "sstr": "(((((.(((((", "form": ".BB.--..BB-", "helical_rise": 3.044, "helical_rise_std": 1.078, "helical_axis": [ 0.574, -0.207, 0.792 ], "point1": [ -17.994, 14.033, -25.347 ], "point2": [ 0.580, 7.347, 0.286 ], "num_chars": 31, "suite": "G!!C!!T!!A!!C!!?2uC4bA!!T!!C!!G" }, "chain_V": { "num_nts": 11, "bseq": "CGATGGGTAGC", "sstr": "))))).)))))", "form": "BBBB..BBBB-", "helical_rise": 3.790, "helical_rise_std": 0.362, "helical_axis": [ -0.408, 0.254, -0.877 ], "point1": [ 0.542, 4.600, 2.388 ], "point2": [ -15.113, 14.348, -31.232 ], "num_chars": 31, "suite": "C!!G!!A!!T!!G!!G!!G!!T!!A!!G!!C" }, "chain_W": { "num_nts": 11, "bseq": "GCTAC?CATCG", "sstr": "(((((.(((((", "form": "..BB--..BB-", "helical_rise": 3.041, "helical_rise_std": 1.059, "helical_axis": [ 0.106, 0.577, 0.810 ], "point1": [ -52.653, 23.924, -57.825 ], "point2": [ -49.233, 42.518, -31.714 ], "num_chars": 31, "suite": "G!!C1bT!!A!!C!!?!!C!!A!!T!!C!!G" }, "chain_X": { "num_nts": 11, "bseq": "CGATGGGTAGC", "sstr": "))))).)))))", "form": "BBB..B.BB.-", "helical_rise": 3.800, "helical_rise_std": 0.391, "helical_axis": [ -0.148, -0.386, -0.911 ], "point1": [ -48.115, 41.304, -28.034 ], "point2": [ -53.797, 26.459, -63.105 ], "num_chars": 31, "suite": "C1bG!!A!!T!!G!!G2[G!!T!!A!!G!!C" }, "chain_Y": { "num_nts": 11, "bseq": "GCTAC?CATCG", "sstr": "(((((.(((((", "form": "B.B.--.BBB-", "helical_rise": 3.061, "helical_rise_std": 1.122, "helical_axis": [ -0.589, -0.103, -0.802 ], "point1": [ -22.048, 51.318, -5.979 ], "point2": [ -41.212, 47.953, -32.061 ], "num_chars": 31, "suite": "G!!C!!T!!A!!C2u?!!C4bA!!T!!C!!G" }, "chain_Z": { "num_nts": 11, "bseq": "CGATGGGTAGC", "sstr": "))))).)))))", "form": "BBB....BBB-", "helical_rise": 3.804, "helical_rise_std": 0.449, "helical_axis": [ 0.407, 0.111, 0.907 ], "point1": [ -41.268, 46.883, -34.517 ], "point2": [ -25.595, 51.148, 0.423 ], "num_chars": 31, "suite": "C!!G!!A!!T!!G7rG!!G!!T!!A!!G!!C" } }, "num_nts": 66, "nts": [ { "index": 1, "index_chain": 1, "chain_name": "U", "nt_resnum": 31, "nt_name": "DG", "nt_code": "G", "nt_id": "///U/31", "linked_nts": [ null, "///U/32" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C3'-endo,BI,canonical,non-pair-contact,helix-end,stem-end", "alpha": null, "beta": null, "gamma": -58.541, "delta": 114.798, "epsilon": -134.965, "zeta": -60.040, "epsilon_zeta": -74.924, "bb_type": "BI", "chi": 179.134, "glyco_bond": "anti", "C5prime_xyz": [ -1.204, 7.943, 1.952 ], "P_xyz": [ null, null, null ], "form": ".", "ssZp": 3.844, "Dp": 3.877, "splay_angle": 18.611, "splay_distance": 3.277, "splay_ratio": 0.167, "d22": null, "d64": null, "eta": null, "theta": null, "eta_prime": null, "theta_prime": null, "eta_base": null, "theta_base": null, "v0": 10.179, "v1": -12.462, "v2": 9.980, "v3": -4.362, "v4": -3.607, "amplitude": 12.255, "phase_angle": 324.530, "puckering": "C2'-exo", "sugar_class": "~C3'-endo", "bin": "inc", "cluster": "__", "suiteness": 0.000, "filter_rmsd": 0.004, "frame": { "rmsd": 0.004, "origin": [ -14.902, 12.436, -29.422 ], "x_axis": [ -0.322, -0.908, 0.269 ], "y_axis": [ 0.852, -0.402, -0.336 ], "z_axis": [ 0.413, 0.121, 0.903 ], "quaternion": [ 0.543, -0.210, 0.066, -0.810 ] } }, { "index": 2, "index_chain": 2, "chain_name": "U", "nt_resnum": 32, "nt_name": "DC", "nt_code": "C", "nt_id": "///U/32", "linked_nts": [ "///U/31", "///U/33" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -80.448, "beta": 170.886, "gamma": 63.754, "delta": 113.509, "epsilon": -169.277, "zeta": -90.156, "epsilon_zeta": -79.121, "bb_type": "BI", "chi": -139.994, "glyco_bond": "anti", "C5prime_xyz": [ -2.338, 8.948, -0.787 ], "P_xyz": [ -0.044, 10.208, -0.608 ], "form": "B", "ssZp": 2.760, "Dp": 2.751, "splay_angle": 19.188, "splay_distance": 3.327, "splay_ratio": 0.169, "d22": 4.442, "d64": 4.110, "eta": 151.967, "theta": -146.604, "eta_prime": -167.533, "theta_prime": -150.874, "eta_base": -129.040, "theta_base": -123.389, "v0": -35.097, "v1": 30.161, "v2": -14.489, "v3": -5.329, "v4": 25.315, "amplitude": 34.364, "phase_angle": 114.937, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.062, "frame": { "rmsd": 0.003, "origin": [ -15.212, 12.764, -26.177 ], "x_axis": [ 0.207, -0.978, -0.006 ], "y_axis": [ 0.938, 0.201, -0.282 ], "z_axis": [ 0.277, 0.053, 0.959 ], "quaternion": [ 0.769, -0.109, 0.092, -0.623 ] } }, { "index": 3, "index_chain": 3, "chain_name": "U", "nt_resnum": 33, "nt_name": "DT", "nt_code": "T", "nt_id": "///U/33", "linked_nts": [ "///U/32", "///U/34" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -65.068, "beta": -179.452, "gamma": 49.681, "delta": 135.942, "epsilon": -149.731, "zeta": -112.195, "epsilon_zeta": -37.536, "bb_type": "BI", "chi": -112.316, "glyco_bond": "anti", "C5prime_xyz": [ -2.649, 8.427, -1.727 ], "P_xyz": [ -0.552, 9.990, -1.538 ], "form": "B", "ssZp": 2.050, "Dp": 2.061, "splay_angle": 19.609, "splay_distance": 3.325, "splay_ratio": 0.170, "d22": null, "d64": null, "eta": 172.027, "theta": -138.746, "eta_prime": -163.734, "theta_prime": -147.096, "eta_base": -130.251, "theta_base": -103.922, "v0": -32.535, "v1": 41.450, "v2": -34.381, "v3": 16.731, "v4": 9.694, "amplitude": 40.685, "phase_angle": 147.679, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.107, "frame": { "rmsd": 0.002, "origin": [ -15.205, 12.503, -22.860 ], "x_axis": [ 0.637, -0.747, -0.187 ], "y_axis": [ 0.737, 0.662, -0.135 ], "z_axis": [ 0.225, -0.052, 0.973 ], "quaternion": [ 0.905, -0.023, 0.114, -0.410 ] } }, { "index": 4, "index_chain": 4, "chain_name": "U", "nt_resnum": 34, "nt_name": "DA", "nt_code": "A", "nt_id": "///U/34", "linked_nts": [ "///U/33", "///U/35" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -68.950, "beta": 156.763, "gamma": 57.484, "delta": 123.896, "epsilon": -167.111, "zeta": -97.972, "epsilon_zeta": -69.138, "bb_type": "BI", "chi": -109.126, "glyco_bond": "anti", "C5prime_xyz": [ -3.021, 8.198, -2.036 ], "P_xyz": [ -0.819, 9.352, -2.810 ], "form": ".", "ssZp": 2.342, "Dp": 2.402, "splay_angle": 16.754, "splay_distance": 2.951, "splay_ratio": 0.148, "d22": null, "d64": null, "eta": 160.125, "theta": -139.505, "eta_prime": -172.198, "theta_prime": -153.779, "eta_base": -123.619, "theta_base": -107.088, "v0": -36.929, "v1": 38.177, "v2": -25.240, "v3": 4.725, "v4": 20.064, "amplitude": 38.738, "phase_angle": 130.658, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.034, "frame": { "rmsd": 0.007, "origin": [ -13.617, 11.957, -19.990 ], "x_axis": [ 0.924, -0.202, -0.324 ], "y_axis": [ 0.264, 0.951, 0.160 ], "z_axis": [ 0.276, -0.233, 0.932 ], "quaternion": [ 0.976, 0.101, 0.154, -0.119 ] } }, { "index": 5, "index_chain": 5, "chain_name": "U", "nt_resnum": 35, "nt_name": "DC", "nt_code": "C", "nt_id": "///U/35", "linked_nts": [ "///U/34", "///U/36" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,canonical,non-pair-contact,helix-end,stem-end,internal-loop,phosphate", "alpha": -60.383, "beta": 161.720, "gamma": 56.987, "delta": 118.456, "epsilon": -99.929, "zeta": -77.519, "epsilon_zeta": -22.410, "bb_type": "--", "chi": -105.844, "glyco_bond": "anti", "C5prime_xyz": [ -3.468, 8.103, -2.152 ], "P_xyz": [ -1.602, 9.576, -3.209 ], "form": "-", "ssZp": null, "Dp": null, "splay_angle": null, "splay_distance": null, "splay_ratio": null, "d22": null, "d64": null, "eta": -166.456, "theta": -83.716, "eta_prime": -152.683, "theta_prime": -104.386, "eta_base": -106.233, "theta_base": null, "v0": -43.447, "v1": 41.429, "v2": -24.026, "v3": -0.247, "v4": 27.165, "amplitude": 43.684, "phase_angle": 123.366, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.060, "frame": { "rmsd": 0.005, "origin": [ -11.398, 11.212, -18.193 ], "x_axis": [ 0.896, 0.362, -0.256 ], "y_axis": [ -0.164, 0.808, 0.566 ], "z_axis": [ 0.412, -0.465, 0.783 ], "quaternion": [ 0.934, 0.276, 0.179, 0.141 ] } }, { "index": 6, "index_chain": 6, "chain_name": "U", "nt_resnum": 36, "nt_name": "3DR", "nt_code": "?", "is_modified": true, "nt_id": "///U/36", "linked_nts": [ "///U/35", "///U/37" ], "nt_type": "DNA", "dbn": ".", "summary": "modified,turn,~C2'-endo,non-stack,internal-loop,phosphate", "alpha": -59.883, "beta": 165.958, "gamma": 178.460, "delta": 127.941, "epsilon": -107.306, "zeta": -59.522, "epsilon_zeta": -47.784, "bb_type": "--", "chi": null, "glyco_bond": "--", "C5prime_xyz": [ null, null, null ], "P_xyz": [ null, null, null ], "form": "-", "ssZp": null, "Dp": null, "splay_angle": null, "splay_distance": null, "splay_ratio": null, "d22": null, "d64": null, "eta": -42.747, "theta": -113.250, "eta_prime": -18.022, "theta_prime": -152.935, "eta_base": null, "theta_base": null, "v0": -28.631, "v1": 33.329, "v2": -25.370, "v3": 9.582, "v4": 11.826, "amplitude": 32.845, "phase_angle": 140.571, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": null }, { "index": 7, "index_chain": 7, "chain_name": "U", "nt_resnum": 37, "nt_name": "DC", "nt_code": "C", "nt_id": "///U/37", "linked_nts": [ "///U/36", "///U/38" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,canonical,helix-end,stem-end,internal-loop,phosphate", "alpha": -68.316, "beta": -133.535, "gamma": -178.562, "delta": 149.763, "epsilon": -136.743, "zeta": -171.085, "epsilon_zeta": 34.343, "bb_type": "--", "chi": -116.091, "glyco_bond": "anti", "C5prime_xyz": [ -1.626, 8.459, -1.305 ], "P_xyz": [ 0.166, 8.157, -3.191 ], "form": ".", "ssZp": 1.541, "Dp": 1.583, "splay_angle": 23.642, "splay_distance": 4.100, "splay_ratio": 0.221, "d22": null, "d64": null, "eta": -21.396, "theta": 146.496, "eta_prime": 43.060, "theta_prime": 145.683, "eta_base": null, "theta_base": -176.159, "v0": -16.229, "v1": 33.294, "v2": -36.857, "v3": 28.497, "v4": -7.917, "amplitude": 37.102, "phase_angle": 173.408, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22t", "cluster": "2u", "suiteness": 0.138, "filter_rmsd": 0.063, "frame": { "rmsd": 0.002, "origin": [ -3.197, 11.963, -10.267 ], "x_axis": [ 0.152, 0.988, -0.031 ], "y_axis": [ -0.837, 0.145, 0.528 ], "z_axis": [ 0.526, -0.055, 0.849 ], "quaternion": [ 0.733, 0.199, 0.190, 0.623 ] } }, { "index": 8, "index_chain": 8, "chain_name": "U", "nt_resnum": 38, "nt_name": "DA", "nt_code": "A", "nt_id": "///U/38", "linked_nts": [ "///U/37", "///U/39" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -57.655, "beta": 135.211, "gamma": 58.425, "delta": 145.861, "epsilon": -175.783, "zeta": -100.001, "epsilon_zeta": -75.781, "bb_type": "BI", "chi": -117.580, "glyco_bond": "anti", "C5prime_xyz": [ -1.869, 8.472, -1.322 ], "P_xyz": [ 0.739, 8.334, -1.321 ], "form": ".", "ssZp": 2.061, "Dp": 2.095, "splay_angle": 18.594, "splay_distance": 3.198, "splay_ratio": 0.166, "d22": null, "d64": null, "eta": 157.747, "theta": -110.709, "eta_prime": -164.731, "theta_prime": -149.342, "eta_base": -131.555, "theta_base": -112.458, "v0": -20.554, "v1": 35.438, "v2": -36.289, "v3": 25.451, "v4": -3.273, "amplitude": 37.355, "phase_angle": 166.280, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "4b", "suiteness": 0.203, "filter_rmsd": 0.037, "frame": { "rmsd": 0.003, "origin": [ -2.418, 8.850, -7.715 ], "x_axis": [ 0.032, 0.794, 0.606 ], "y_axis": [ -0.843, -0.305, 0.444 ], "z_axis": [ 0.538, -0.525, 0.660 ], "quaternion": [ 0.589, 0.412, -0.029, 0.695 ] } }, { "index": 9, "index_chain": 9, "chain_name": "U", "nt_resnum": 39, "nt_name": "DT", "nt_code": "T", "nt_id": "///U/39", "linked_nts": [ "///U/38", "///U/40" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -72.007, "beta": -179.468, "gamma": 54.955, "delta": 136.307, "epsilon": -161.043, "zeta": -142.236, "epsilon_zeta": -18.806, "bb_type": "--", "chi": -109.994, "glyco_bond": "anti", "C5prime_xyz": [ -2.682, 8.387, -1.815 ], "P_xyz": [ -0.493, 9.815, -1.866 ], "form": "B", "ssZp": 2.258, "Dp": 2.247, "splay_angle": 22.365, "splay_distance": 3.685, "splay_ratio": 0.194, "d22": 4.590, "d64": 4.098, "eta": 166.630, "theta": -160.603, "eta_prime": -167.711, "theta_prime": -169.139, "eta_base": -119.777, "theta_base": -116.548, "v0": -33.565, "v1": 42.248, "v2": -34.571, "v3": 16.150, "v4": 10.742, "amplitude": 41.454, "phase_angle": 146.507, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.105, "frame": { "rmsd": 0.002, "origin": [ -0.209, 7.993, -5.568 ], "x_axis": [ -0.431, 0.434, 0.791 ], "y_axis": [ -0.649, -0.758, 0.063 ], "z_axis": [ 0.627, -0.486, 0.608 ], "quaternion": [ 0.324, 0.424, -0.127, 0.836 ] } }, { "index": 10, "index_chain": 10, "chain_name": "U", "nt_resnum": 40, "nt_name": "DC", "nt_code": "C", "nt_id": "///U/40", "linked_nts": [ "///U/39", "///U/41" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -33.652, "beta": 141.320, "gamma": 48.951, "delta": 130.388, "epsilon": -162.009, "zeta": -107.939, "epsilon_zeta": -54.070, "bb_type": "BI", "chi": -122.106, "glyco_bond": "anti", "C5prime_xyz": [ -2.298, 8.710, -1.359 ], "P_xyz": [ 0.224, 9.347, -1.261 ], "form": "B", "ssZp": 2.306, "Dp": 2.307, "splay_angle": 19.296, "splay_distance": 3.225, "splay_ratio": 0.168, "d22": null, "d64": null, "eta": 176.393, "theta": -133.599, "eta_prime": -159.766, "theta_prime": -148.466, "eta_base": -104.154, "theta_base": -102.470, "v0": -31.779, "v1": 37.693, "v2": -29.296, "v3": 11.761, "v4": 12.416, "amplitude": 37.114, "phase_angle": 142.125, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.063, "frame": { "rmsd": 0.002, "origin": [ 1.675, 6.200, -2.958 ], "x_axis": [ -0.664, -0.237, 0.709 ], "y_axis": [ -0.215, -0.848, -0.484 ], "z_axis": [ 0.716, -0.474, 0.512 ], "quaternion": [ -0.006, 0.410, -0.276, 0.869 ] } }, { "index": 11, "index_chain": 11, "chain_name": "U", "nt_resnum": 41, "nt_name": "DG", "nt_code": "G", "nt_id": "///U/41", "linked_nts": [ "///U/40", null ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,canonical,non-pair-contact,helix-end,stem-end", "alpha": -53.130, "beta": 173.498, "gamma": 39.639, "delta": 136.227, "epsilon": null, "zeta": null, "epsilon_zeta": null, "bb_type": "--", "chi": -100.549, "glyco_bond": "anti", "C5prime_xyz": [ -2.263, 8.107, -2.213 ], "P_xyz": [ 0.075, 9.281, -2.323 ], "form": "-", "ssZp": null, "Dp": null, "splay_angle": null, "splay_distance": null, "splay_ratio": null, "d22": null, "d64": null, "eta": null, "theta": null, "eta_prime": null, "theta_prime": null, "eta_base": null, "theta_base": null, "v0": -21.921, "v1": 32.151, "v2": -29.773, "v3": 17.902, "v4": 2.341, "amplitude": 32.295, "phase_angle": 157.204, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.005, "frame": { "rmsd": 0.005, "origin": [ 3.290, 4.191, -1.019 ], "x_axis": [ -0.668, -0.715, 0.206 ], "y_axis": [ 0.377, -0.564, -0.735 ], "z_axis": [ 0.642, -0.413, 0.646 ], "quaternion": [ -0.322, 0.250, -0.338, 0.848 ] } }, { "index": 12, "index_chain": 1, "chain_name": "V", "nt_resnum": 42, "nt_name": "DC", "nt_code": "C", "nt_id": "///V/42", "linked_nts": [ null, "///V/43" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C3'-endo,BI,canonical,non-pair-contact,helix-end,stem-end", "alpha": null, "beta": null, "gamma": 52.759, "delta": 99.898, "epsilon": -148.376, "zeta": -74.217, "epsilon_zeta": -74.159, "bb_type": "BI", "chi": -160.278, "glyco_bond": "anti", "C5prime_xyz": [ -1.199, 8.711, 0.646 ], "P_xyz": [ null, null, null ], "form": "B", "ssZp": 3.967, "Dp": 4.064, "splay_angle": 17.885, "splay_distance": 2.960, "splay_ratio": 0.156, "d22": null, "d64": null, "eta": null, "theta": null, "eta_prime": null, "theta_prime": null, "eta_base": null, "theta_base": null, "v0": -0.425, "v1": -12.379, "v2": 19.586, "v3": -20.263, "v4": 13.200, "amplitude": 20.796, "phase_angle": 19.637, "puckering": "C3'-endo", "sugar_class": "~C3'-endo", "bin": "inc", "cluster": "__", "suiteness": 0.000, "filter_rmsd": 0.063, "frame": { "rmsd": 0.002, "origin": [ 3.323, 5.178, -1.697 ], "x_axis": [ -0.891, -0.451, 0.043 ], "y_axis": [ -0.276, 0.615, 0.739 ], "z_axis": [ -0.360, 0.647, -0.673 ], "quaternion": [ -0.113, -0.204, 0.891, 0.389 ] } }, { "index": 13, "index_chain": 2, "chain_name": "V", "nt_resnum": 43, "nt_name": "DG", "nt_code": "G", "nt_id": "///V/43", "linked_nts": [ "///V/42", "///V/44" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -61.981, "beta": 166.214, "gamma": 60.022, "delta": 118.420, "epsilon": -175.404, "zeta": -91.180, "epsilon_zeta": -84.224, "bb_type": "BI", "chi": -125.319, "glyco_bond": "anti", "C5prime_xyz": [ -1.899, 8.674, -1.290 ], "P_xyz": [ 0.663, 9.229, -1.401 ], "form": "B", "ssZp": 2.677, "Dp": 2.796, "splay_angle": 18.599, "splay_distance": 3.176, "splay_ratio": 0.162, "d22": null, "d64": null, "eta": 164.707, "theta": -143.171, "eta_prime": -158.240, "theta_prime": -154.820, "eta_base": -106.323, "theta_base": -126.197, "v0": -20.100, "v1": 19.128, "v2": -11.268, "v3": -0.064, "v4": 12.680, "amplitude": 20.301, "phase_angle": 123.715, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.005, "frame": { "rmsd": 0.005, "origin": [ 1.369, 6.497, -3.486 ], "x_axis": [ -0.890, 0.045, 0.454 ], "y_axis": [ 0.224, 0.910, 0.349 ], "z_axis": [ -0.398, 0.412, -0.820 ], "quaternion": [ -0.224, 0.071, 0.951, 0.200 ] } }, { "index": 14, "index_chain": 3, "chain_name": "V", "nt_resnum": 44, "nt_name": "DA", "nt_code": "A", "nt_id": "///V/44", "linked_nts": [ "///V/43", "///V/45" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -58.810, "beta": 169.428, "gamma": 57.825, "delta": 136.919, "epsilon": -166.563, "zeta": -99.627, "epsilon_zeta": -66.936, "bb_type": "BI", "chi": -119.817, "glyco_bond": "anti", "C5prime_xyz": [ -2.384, 8.594, -1.401 ], "P_xyz": [ -0.054, 9.772, -1.292 ], "form": "B", "ssZp": 2.245, "Dp": 2.276, "splay_angle": 22.330, "splay_distance": 3.868, "splay_ratio": 0.198, "d22": null, "d64": null, "eta": 169.265, "theta": -132.199, "eta_prime": -160.296, "theta_prime": -148.749, "eta_base": -123.261, "theta_base": -95.074, "v0": -31.630, "v1": 41.040, "v2": -34.626, "v3": 17.335, "v4": 8.790, "amplitude": 40.412, "phase_angle": 148.964, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.038, "frame": { "rmsd": 0.003, "origin": [ -0.046, 7.391, -6.186 ], "x_axis": [ -0.666, 0.479, 0.572 ], "y_axis": [ 0.592, 0.806, 0.015 ], "z_axis": [ -0.453, 0.349, -0.820 ], "quaternion": [ -0.282, 0.295, 0.907, 0.100 ] } }, { "index": 15, "index_chain": 4, "chain_name": "V", "nt_resnum": 45, "nt_name": "DT", "nt_code": "T", "nt_id": "///V/45", "linked_nts": [ "///V/44", "///V/46" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,canonical,non-pair-contact,helix,stem", "alpha": -73.687, "beta": 159.486, "gamma": 74.349, "delta": 123.478, "epsilon": -126.441, "zeta": -75.046, "epsilon_zeta": -51.395, "bb_type": "--", "chi": -132.970, "glyco_bond": "anti", "C5prime_xyz": [ -2.728, 8.792, -1.077 ], "P_xyz": [ -0.476, 10.073, -1.384 ], "form": "B", "ssZp": 1.870, "Dp": 1.886, "splay_angle": 21.633, "splay_distance": 3.682, "splay_ratio": 0.189, "d22": null, "d64": null, "eta": -173.782, "theta": -129.251, "eta_prime": -153.556, "theta_prime": -144.914, "eta_base": -94.231, "theta_base": -85.907, "v0": -39.990, "v1": 41.296, "v2": -27.093, "v3": 4.742, "v4": 21.988, "amplitude": 41.940, "phase_angle": 130.240, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.106, "frame": { "rmsd": 0.002, "origin": [ -2.674, 9.573, -8.002 ], "x_axis": [ -0.084, 0.908, 0.411 ], "y_axis": [ 0.879, 0.262, -0.398 ], "z_axis": [ -0.469, 0.327, -0.820 ], "quaternion": [ -0.299, 0.607, 0.736, -0.024 ] } }, { "index": 16, "index_chain": 5, "chain_name": "V", "nt_resnum": 46, "nt_name": "DG", "nt_code": "G", "nt_id": "///V/46", "linked_nts": [ "///V/45", "///V/47" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,canonical,non-pair-contact,helix-end,stem-end,internal-loop", "alpha": -111.907, "beta": 86.809, "gamma": 142.529, "delta": 123.771, "epsilon": -146.130, "zeta": -125.539, "epsilon_zeta": -20.591, "bb_type": "--", "chi": -133.927, "glyco_bond": "anti", "C5prime_xyz": [ -2.033, 8.846, -0.816 ], "P_xyz": [ -1.391, 8.765, -3.362 ], "form": ".", "ssZp": 2.338, "Dp": 2.371, "splay_angle": 43.256, "splay_distance": 7.774, "splay_ratio": 0.371, "d22": null, "d64": null, "eta": -153.565, "theta": 156.429, "eta_prime": -156.828, "theta_prime": 179.339, "eta_base": -97.197, "theta_base": -162.738, "v0": -27.217, "v1": 29.912, "v2": -21.441, "v3": 6.293, "v4": 13.053, "amplitude": 29.844, "phase_angle": 135.926, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "22t", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.005, "frame": { "rmsd": 0.005, "origin": [ -2.896, 11.983, -10.777 ], "x_axis": [ 0.411, 0.902, -0.135 ], "y_axis": [ 0.544, -0.361, -0.758 ], "z_axis": [ -0.732, 0.237, -0.639 ], "quaternion": [ -0.320, 0.776, 0.466, -0.279 ] } }, { "index": 17, "index_chain": 6, "chain_name": "V", "nt_resnum": 47, "nt_name": "DG", "nt_code": "G", "nt_id": "///V/47", "linked_nts": [ "///V/46", "///V/48" ], "nt_type": "DNA", "dbn": ".", "summary": "anti,~C2'-endo,non-pair-contact,internal-loop", "alpha": 48.756, "beta": 165.042, "gamma": -54.429, "delta": 140.858, "epsilon": -146.624, "zeta": -128.669, "epsilon_zeta": -17.955, "bb_type": "--", "chi": -116.231, "glyco_bond": "anti", "C5prime_xyz": [ -1.704, 8.456, -1.379 ], "P_xyz": [ -0.787, 10.876, -1.026 ], "form": ".", "ssZp": 1.933, "Dp": 2.065, "splay_angle": 22.713, "splay_distance": 3.920, "splay_ratio": 0.206, "d22": null, "d64": null, "eta": -176.763, "theta": 179.953, "eta_prime": -165.270, "theta_prime": -166.667, "eta_base": -149.404, "theta_base": -136.793, "v0": -15.966, "v1": 28.972, "v2": -30.272, "v3": 21.774, "v4": -3.852, "amplitude": 30.915, "phase_angle": 168.289, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22m", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.005, "frame": { "rmsd": 0.005, "origin": [ -9.790, 12.165, -14.366 ], "x_axis": [ 0.584, 0.780, -0.225 ], "y_axis": [ 0.674, -0.621, -0.401 ], "z_axis": [ -0.453, 0.082, -0.888 ], "quaternion": [ -0.138, 0.879, 0.413, -0.193 ] } }, { "index": 18, "index_chain": 7, "chain_name": "V", "nt_resnum": 48, "nt_name": "DG", "nt_code": "G", "nt_id": "///V/48", "linked_nts": [ "///V/47", "///V/49" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix-end,stem-end,internal-loop", "alpha": -71.426, "beta": 158.584, "gamma": 63.143, "delta": 147.873, "epsilon": -162.767, "zeta": -114.761, "epsilon_zeta": -48.006, "bb_type": "BI", "chi": -105.434, "glyco_bond": "anti", "C5prime_xyz": [ -2.193, 8.222, -1.866 ], "P_xyz": [ 0.376, 8.657, -2.047 ], "form": "B", "ssZp": 1.751, "Dp": 1.791, "splay_angle": 19.283, "splay_distance": 3.434, "splay_ratio": 0.172, "d22": null, "d64": null, "eta": 161.055, "theta": -121.877, "eta_prime": -163.735, "theta_prime": -153.919, "eta_base": -136.743, "theta_base": -117.388, "v0": -19.476, "v1": 35.632, "v2": -37.583, "v3": 27.494, "v4": -5.251, "amplitude": 38.279, "phase_angle": 169.057, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.006, "frame": { "rmsd": 0.006, "origin": [ -11.979, 10.967, -17.388 ], "x_axis": [ 0.827, 0.401, -0.394 ], "y_axis": [ 0.302, -0.908, -0.290 ], "z_axis": [ -0.474, 0.121, -0.872 ], "quaternion": [ -0.108, 0.950, 0.185, -0.229 ] } }, { "index": 19, "index_chain": 8, "chain_name": "V", "nt_resnum": 49, "nt_name": "DT", "nt_code": "T", "nt_id": "///V/49", "linked_nts": [ "///V/48", "///V/50" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -32.287, "beta": 169.867, "gamma": 13.891, "delta": 133.169, "epsilon": -163.476, "zeta": -127.152, "epsilon_zeta": -36.324, "bb_type": "BI", "chi": -103.112, "glyco_bond": "anti", "C5prime_xyz": [ -2.622, 8.164, -2.166 ], "P_xyz": [ -0.890, 10.101, -2.205 ], "form": "B", "ssZp": 2.059, "Dp": 2.145, "splay_angle": 17.760, "splay_distance": 2.998, "splay_ratio": 0.160, "d22": null, "d64": null, "eta": 167.305, "theta": -169.171, "eta_prime": -173.534, "theta_prime": -167.922, "eta_base": -130.541, "theta_base": -125.465, "v0": -29.702, "v1": 37.877, "v2": -31.456, "v3": 15.158, "v4": 8.966, "amplitude": 37.247, "phase_angle": 147.622, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.108, "frame": { "rmsd": 0.003, "origin": [ -13.183, 12.145, -20.381 ], "x_axis": [ 0.887, -0.155, -0.435 ], "y_axis": [ -0.211, -0.974, -0.085 ], "z_axis": [ -0.410, 0.167, -0.897 ], "quaternion": [ -0.065, 0.969, -0.094, -0.218 ] } }, { "index": 20, "index_chain": 9, "chain_name": "V", "nt_resnum": 50, "nt_name": "DA", "nt_code": "A", "nt_id": "///V/50", "linked_nts": [ "///V/49", "///V/51" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -57.052, "beta": 165.869, "gamma": 48.638, "delta": 137.766, "epsilon": -164.705, "zeta": -107.179, "epsilon_zeta": -57.527, "bb_type": "BI", "chi": -97.480, "glyco_bond": "anti", "C5prime_xyz": [ -2.282, 7.922, -2.287 ], "P_xyz": [ 0.224, 8.584, -2.606 ], "form": "B", "ssZp": 1.937, "Dp": 2.231, "splay_angle": 20.188, "splay_distance": 3.530, "splay_ratio": 0.176, "d22": null, "d64": null, "eta": 168.629, "theta": -131.253, "eta_prime": -170.747, "theta_prime": -150.889, "eta_base": -127.432, "theta_base": -115.419, "v0": -18.980, "v1": 29.592, "v2": -28.522, "v3": 18.348, "v4": 0.222, "amplitude": 30.189, "phase_angle": 160.872, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.036, "frame": { "rmsd": 0.004, "origin": [ -14.640, 12.022, -22.998 ], "x_axis": [ 0.612, -0.699, -0.370 ], "y_axis": [ -0.752, -0.659, 0.001 ], "z_axis": [ -0.244, 0.278, -0.929 ], "quaternion": [ -0.077, 0.894, -0.406, -0.172 ] } }, { "index": 21, "index_chain": 10, "chain_name": "V", "nt_resnum": 51, "nt_name": "DG", "nt_code": "G", "nt_id": "///V/51", "linked_nts": [ "///V/50", "///V/52" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -52.913, "beta": 153.262, "gamma": 52.978, "delta": 108.515, "epsilon": -178.049, "zeta": -107.061, "epsilon_zeta": -70.988, "bb_type": "BI", "chi": -124.489, "glyco_bond": "anti", "C5prime_xyz": [ -2.994, 8.575, -1.553 ], "P_xyz": [ -0.830, 9.931, -2.062 ], "form": "B", "ssZp": 2.747, "Dp": 2.766, "splay_angle": 20.651, "splay_distance": 3.509, "splay_ratio": 0.180, "d22": null, "d64": null, "eta": 165.964, "theta": -167.731, "eta_prime": -171.003, "theta_prime": -176.355, "eta_base": -128.007, "theta_base": -141.415, "v0": -39.328, "v1": 31.761, "v2": -12.911, "v3": -9.347, "v4": 30.334, "amplitude": 38.237, "phase_angle": 109.734, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "23p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.004, "frame": { "rmsd": 0.004, "origin": [ -15.024, 12.112, -26.507 ], "x_axis": [ 0.203, -0.966, -0.158 ], "y_axis": [ -0.964, -0.225, 0.138 ], "z_axis": [ -0.169, 0.124, -0.978 ], "quaternion": [ 0.004, 0.776, -0.622, -0.105 ] } }, { "index": 22, "index_chain": 11, "chain_name": "V", "nt_resnum": 52, "nt_name": "DC", "nt_code": "C", "nt_id": "///V/52", "linked_nts": [ "///V/51", null ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,canonical,non-pair-contact,helix-end,stem-end", "alpha": -48.374, "beta": 168.531, "gamma": 49.988, "delta": 115.020, "epsilon": null, "zeta": null, "epsilon_zeta": null, "bb_type": "--", "chi": -130.946, "glyco_bond": "anti", "C5prime_xyz": [ -2.069, 8.818, -1.101 ], "P_xyz": [ 0.290, 9.876, -0.851 ], "form": "-", "ssZp": null, "Dp": null, "splay_angle": null, "splay_distance": null, "splay_ratio": null, "d22": null, "d64": null, "eta": null, "theta": null, "eta_prime": null, "theta_prime": null, "eta_base": null, "theta_base": null, "v0": -26.962, "v1": 23.509, "v2": -11.655, "v3": -3.606, "v4": 19.255, "amplitude": 26.525, "phase_angle": 116.067, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.064, "frame": { "rmsd": 0.002, "origin": [ -14.751, 12.761, -29.944 ], "x_axis": [ -0.351, -0.932, -0.091 ], "y_axis": [ -0.926, 0.331, 0.182 ], "z_axis": [ -0.139, 0.149, -0.979 ], "quaternion": [ -0.015, -0.569, 0.816, 0.101 ] } }, { "index": 23, "index_chain": 1, "chain_name": "W", "nt_resnum": 31, "nt_name": "DG", "nt_code": "G", "nt_id": "///W/31", "linked_nts": [ null, "///W/32" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C3'-endo,canonical,non-pair-contact,helix-end,stem-end", "alpha": null, "beta": null, "gamma": 41.580, "delta": 93.009, "epsilon": -122.378, "zeta": -108.301, "epsilon_zeta": -14.077, "bb_type": "--", "chi": 157.730, "glyco_bond": "anti", "C5prime_xyz": [ -1.830, 7.709, 2.735 ], "P_xyz": [ null, null, null ], "form": ".", "ssZp": 4.151, "Dp": 4.425, "splay_angle": 22.799, "splay_distance": 3.863, "splay_ratio": 0.206, "d22": null, "d64": null, "eta": null, "theta": null, "eta_prime": null, "theta_prime": null, "eta_base": null, "theta_base": null, "v0": 3.922, "v1": -21.120, "v2": 29.178, "v3": -27.505, "v4": 15.071, "amplitude": 29.729, "phase_angle": 11.048, "puckering": "C3'-endo", "sugar_class": "~C3'-endo", "bin": "inc", "cluster": "__", "suiteness": 0.000, "filter_rmsd": 0.013, "frame": { "rmsd": 0.013, "origin": [ -51.884, 27.049, -61.884 ], "x_axis": [ 0.889, -0.270, 0.370 ], "y_axis": [ 0.373, 0.896, -0.242 ], "z_axis": [ -0.266, 0.353, 0.897 ], "quaternion": [ 0.959, -0.155, -0.166, -0.168 ] } }, { "index": 24, "index_chain": 2, "chain_name": "W", "nt_resnum": 32, "nt_name": "DC", "nt_code": "C", "nt_id": "///W/32", "linked_nts": [ "///W/31", "///W/33" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,BI,canonical,non-pair-contact,helix,stem", "alpha": 41.489, "beta": 97.545, "gamma": 8.074, "delta": 105.381, "epsilon": -175.513, "zeta": -94.300, "epsilon_zeta": -81.212, "bb_type": "BI", "chi": -134.013, "glyco_bond": "anti", "C5prime_xyz": [ -2.671, 8.834, -1.215 ], "P_xyz": [ -0.685, 9.901, 0.184 ], "form": ".", "ssZp": 2.805, "Dp": 2.811, "splay_angle": 19.102, "splay_distance": 3.311, "splay_ratio": 0.168, "d22": 4.423, "d64": 4.196, "eta": 153.150, "theta": -148.773, "eta_prime": -170.133, "theta_prime": -150.994, "eta_base": -118.406, "theta_base": -131.421, "v0": -37.549, "v1": 28.183, "v2": -9.004, "v3": -12.401, "v4": 31.349, "amplitude": 36.695, "phase_angle": 104.205, "puckering": "O4'-endo", "sugar_class": "--", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.062, "frame": { "rmsd": 0.003, "origin": [ -51.415, 26.660, -58.069 ], "x_axis": [ 0.934, 0.356, -0.018 ], "y_axis": [ -0.338, 0.869, -0.361 ], "z_axis": [ -0.113, 0.344, 0.932 ], "quaternion": [ 0.966, -0.182, -0.024, 0.179 ] } }, { "index": 25, "index_chain": 3, "chain_name": "W", "nt_resnum": 33, "nt_name": "DT", "nt_code": "T", "nt_id": "///W/33", "linked_nts": [ "///W/32", "///W/34" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,canonical,non-pair-contact,helix,stem", "alpha": -58.573, "beta": 177.478, "gamma": 49.989, "delta": 138.429, "epsilon": -135.475, "zeta": -132.303, "epsilon_zeta": -3.172, "bb_type": "--", "chi": -114.209, "glyco_bond": "anti", "C5prime_xyz": [ -2.676, 8.468, -1.615 ], "P_xyz": [ -0.585, 10.007, -1.346 ], "form": "B", "ssZp": 1.778, "Dp": 1.791, "splay_angle": 19.474, "splay_distance": 3.291, "splay_ratio": 0.169, "d22": null, "d64": null, "eta": -178.339, "theta": -143.822, "eta_prime": -159.412, "theta_prime": -150.393, "eta_base": -136.114, "theta_base": -101.002, "v0": -33.424, "v1": 43.054, "v2": -36.036, "v3": 17.981, "v4": 9.430, "amplitude": 42.258, "phase_angle": 148.514, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "32p", "cluster": "1b", "suiteness": 0.040, "filter_rmsd": 0.108, "frame": { "rmsd": 0.003, "origin": [ -51.632, 26.559, -54.767 ], "x_axis": [ 0.709, 0.668, -0.228 ], "y_axis": [ -0.706, 0.673, -0.223 ], "z_axis": [ 0.005, 0.318, 0.948 ], "quaternion": [ 0.912, -0.148, 0.064, 0.376 ] } }, { "index": 26, "index_chain": 4, "chain_name": "W", "nt_resnum": 34, "nt_name": "DA", "nt_code": "A", "nt_id": "///W/34", "linked_nts": [ "///W/33", "///W/35" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -51.926, "beta": 140.969, "gamma": 46.425, "delta": 124.186, "epsilon": -163.351, "zeta": -100.789, "epsilon_zeta": -62.562, "bb_type": "BI", "chi": -106.499, "glyco_bond": "anti", "C5prime_xyz": [ -3.086, 8.161, -2.116 ], "P_xyz": [ -0.799, 9.207, -2.783 ], "form": "B", "ssZp": 2.308, "Dp": 2.386, "splay_angle": 17.824, "splay_distance": 3.107, "splay_ratio": 0.156, "d22": null, "d64": null, "eta": 161.327, "theta": -135.635, "eta_prime": -171.002, "theta_prime": -154.935, "eta_base": -117.297, "theta_base": -104.653, "v0": -38.261, "v1": 39.911, "v2": -26.757, "v3": 5.457, "v4": 20.448, "amplitude": 40.401, "phase_angle": 131.474, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.036, "frame": { "rmsd": 0.004, "origin": [ -51.619, 28.396, -52.036 ], "x_axis": [ 0.116, 0.955, -0.272 ], "y_axis": [ -0.982, 0.152, 0.113 ], "z_axis": [ 0.149, 0.254, 0.956 ], "quaternion": [ 0.746, -0.047, 0.141, 0.649 ] } }, { "index": 27, "index_chain": 5, "chain_name": "W", "nt_resnum": 35, "nt_name": "DC", "nt_code": "C", "nt_id": "///W/35", "linked_nts": [ "///W/34", "///W/36" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C3'-endo,canonical,non-pair-contact,helix-end,stem-end,internal-loop,phosphate", "alpha": -65.570, "beta": 164.360, "gamma": 42.747, "delta": 88.482, "epsilon": 39.559, "zeta": 156.757, "epsilon_zeta": -117.198, "bb_type": "--", "chi": -115.124, "glyco_bond": "anti", "C5prime_xyz": [ -2.799, 8.460, -1.994 ], "P_xyz": [ -0.713, 9.652, -3.052 ], "form": "-", "ssZp": null, "Dp": null, "splay_angle": null, "splay_distance": null, "splay_ratio": null, "d22": null, "d64": null, "eta": -167.138, "theta": -85.120, "eta_prime": -156.894, "theta_prime": -104.312, "eta_base": -106.028, "theta_base": null, "v0": -27.831, "v1": 7.832, "v2": 13.503, "v3": -29.741, "v4": 36.249, "amplitude": 35.682, "phase_angle": 67.765, "puckering": "C4'-exo", "sugar_class": "~C3'-endo", "bin": "23p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.063, "frame": { "rmsd": 0.003, "origin": [ -51.453, 30.741, -50.005 ], "x_axis": [ -0.530, 0.796, -0.293 ], "y_axis": [ -0.797, -0.349, 0.493 ], "z_axis": [ 0.290, 0.495, 0.819 ], "quaternion": [ 0.485, -0.001, 0.301, 0.821 ] } }, { "index": 28, "index_chain": 6, "chain_name": "W", "nt_resnum": 36, "nt_name": "3DR", "nt_code": "?", "is_modified": true, "nt_id": "///W/36", "linked_nts": [ "///W/35", "///W/37" ], "nt_type": "DNA", "dbn": ".", "summary": "modified,turn,~C2'-endo,non-stack,internal-loop,phosphate", "alpha": -73.944, "beta": 101.102, "gamma": 176.774, "delta": 135.732, "epsilon": -122.065, "zeta": -91.147, "epsilon_zeta": -30.918, "bb_type": "--", "chi": null, "glyco_bond": "--", "C5prime_xyz": [ null, null, null ], "P_xyz": [ null, null, null ], "form": "-", "ssZp": null, "Dp": null, "splay_angle": null, "splay_distance": null, "splay_ratio": null, "d22": null, "d64": null, "eta": -43.259, "theta": -117.388, "eta_prime": -21.550, "theta_prime": -155.029, "eta_base": null, "theta_base": null, "v0": -25.787, "v1": 35.169, "v2": -30.847, "v3": 16.837, "v4": 5.444, "amplitude": 34.798, "phase_angle": 152.433, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": null }, { "index": 29, "index_chain": 7, "chain_name": "W", "nt_resnum": 37, "nt_name": "DC", "nt_code": "C", "nt_id": "///W/37", "linked_nts": [ "///W/36", "///W/38" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BII,canonical,helix-end,stem-end,coaxial-stack,internal-loop,phosphate", "alpha": 88.855, "beta": 111.231, "gamma": 112.619, "delta": 145.106, "epsilon": -113.784, "zeta": 137.268, "epsilon_zeta": 108.948, "bb_type": "BII", "chi": -127.929, "glyco_bond": "anti", "C5prime_xyz": [ -1.860, 8.749, -0.820 ], "P_xyz": [ 0.025, 8.440, -2.623 ], "form": ".", "ssZp": 1.320, "Dp": 1.306, "splay_angle": 26.031, "splay_distance": 4.485, "splay_ratio": 0.244, "d22": null, "d64": null, "eta": -7.348, "theta": 127.675, "eta_prime": 51.625, "theta_prime": 148.241, "eta_base": null, "theta_base": 176.929, "v0": -24.554, "v1": 38.372, "v2": -36.987, "v3": 23.848, "v4": 0.242, "amplitude": 39.131, "phase_angle": 160.944, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.063, "frame": { "rmsd": 0.003, "origin": [ -52.977, 38.622, -42.039 ], "x_axis": [ -0.992, 0.069, -0.104 ], "y_axis": [ -0.107, -0.899, 0.425 ], "z_axis": [ -0.065, 0.433, 0.899 ], "quaternion": [ 0.045, -0.043, 0.220, 0.973 ] } }, { "index": 30, "index_chain": 8, "chain_name": "W", "nt_resnum": 38, "nt_name": "DA", "nt_code": "A", "nt_id": "///W/38", "linked_nts": [ "///W/37", "///W/39" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,coaxial-stack,phosphate", "alpha": 124.160, "beta": -104.862, "gamma": 152.515, "delta": 147.692, "epsilon": -159.707, "zeta": -124.195, "epsilon_zeta": -35.512, "bb_type": "BI", "chi": -122.933, "glyco_bond": "anti", "C5prime_xyz": [ -2.169, 8.637, -0.993 ], "P_xyz": [ 0.273, 8.127, -1.746 ], "form": ".", "ssZp": 1.901, "Dp": 2.056, "splay_angle": 19.063, "splay_distance": 3.447, "splay_ratio": 0.175, "d22": null, "d64": null, "eta": 146.156, "theta": -90.727, "eta_prime": -161.208, "theta_prime": -157.865, "eta_base": -142.645, "theta_base": -104.353, "v0": -27.860, "v1": 43.922, "v2": -42.173, "v3": 27.303, "v4": 0.098, "amplitude": 44.591, "phase_angle": 161.046, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22t", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.037, "frame": { "rmsd": 0.003, "origin": [ -49.280, 39.278, -39.586 ], "x_axis": [ -0.843, 0.027, 0.537 ], "y_axis": [ 0.275, -0.837, 0.473 ], "z_axis": [ 0.462, 0.547, 0.698 ], "quaternion": [ -0.068, 0.272, 0.278, 0.919 ] } }, { "index": 31, "index_chain": 9, "chain_name": "W", "nt_resnum": 39, "nt_name": "DT", "nt_code": "T", "nt_id": "///W/39", "linked_nts": [ "///W/38", "///W/40" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,coaxial-stack,phosphate", "alpha": 45.184, "beta": -173.089, "gamma": -74.970, "delta": 159.579, "epsilon": -169.597, "zeta": -119.500, "epsilon_zeta": -50.097, "bb_type": "BI", "chi": -108.426, "glyco_bond": "anti", "C5prime_xyz": [ -1.360, 8.041, -1.425 ], "P_xyz": [ -0.083, 10.201, -2.051 ], "form": "B", "ssZp": 1.705, "Dp": 1.723, "splay_angle": 22.016, "splay_distance": 3.775, "splay_ratio": 0.192, "d22": 4.428, "d64": 4.448, "eta": 175.795, "theta": -173.354, "eta_prime": -164.236, "theta_prime": -173.629, "eta_base": -104.006, "theta_base": -133.099, "v0": -2.958, "v1": 25.817, "v2": -37.292, "v3": 36.528, "v4": -21.461, "amplitude": 38.481, "phase_angle": 194.281, "puckering": "C3'-exo", "sugar_class": "~C2'-endo", "bin": "22m", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.107, "frame": { "rmsd": 0.002, "origin": [ -49.160, 41.367, -36.847 ], "x_axis": [ -0.375, -0.537, 0.756 ], "y_axis": [ 0.827, -0.562, 0.010 ], "z_axis": [ 0.419, 0.629, 0.655 ], "quaternion": [ -0.424, 0.365, 0.198, 0.805 ] } }, { "index": 32, "index_chain": 10, "chain_name": "W", "nt_resnum": 40, "nt_name": "DC", "nt_code": "C", "nt_id": "///W/40", "linked_nts": [ "///W/39", "///W/41" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,coaxial-stack", "alpha": -44.430, "beta": 156.661, "gamma": 46.831, "delta": 127.391, "epsilon": -158.666, "zeta": -100.996, "epsilon_zeta": -57.670, "bb_type": "BI", "chi": -128.069, "glyco_bond": "anti", "C5prime_xyz": [ -2.402, 8.808, -1.154 ], "P_xyz": [ -0.119, 9.983, -0.747 ], "form": "B", "ssZp": 2.235, "Dp": 2.268, "splay_angle": 17.686, "splay_distance": 3.044, "splay_ratio": 0.155, "d22": null, "d64": null, "eta": 174.407, "theta": -133.429, "eta_prime": -163.746, "theta_prime": -143.273, "eta_base": -120.643, "theta_base": -99.086, "v0": -34.830, "v1": 38.876, "v2": -28.335, "v3": 9.078, "v4": 15.987, "amplitude": 38.587, "phase_angle": 137.249, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.066, "frame": { "rmsd": 0.004, "origin": [ -47.948, 44.296, -34.797 ], "x_axis": [ 0.159, -0.659, 0.735 ], "y_axis": [ 0.845, -0.295, -0.447 ], "z_axis": [ 0.511, 0.692, 0.510 ], "quaternion": [ 0.586, -0.486, -0.095, -0.642 ] } }, { "index": 33, "index_chain": 11, "chain_name": "W", "nt_resnum": 41, "nt_name": "DG", "nt_code": "G", "nt_id": "///W/41", "linked_nts": [ "///W/40", null ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,canonical,non-pair-contact,helix,stem-end,coaxial-stack,phosphate", "alpha": -51.803, "beta": 174.227, "gamma": 28.686, "delta": 128.768, "epsilon": null, "zeta": null, "epsilon_zeta": null, "bb_type": "--", "chi": -101.707, "glyco_bond": "anti", "C5prime_xyz": [ -2.435, 8.143, -2.265 ], "P_xyz": [ -0.342, 9.711, -2.409 ], "form": "-", "ssZp": null, "Dp": null, "splay_angle": null, "splay_distance": null, "splay_ratio": null, "d22": null, "d64": null, "eta": null, "theta": null, "eta_prime": null, "theta_prime": null, "eta_base": null, "theta_base": null, "v0": -26.272, "v1": 32.044, "v2": -25.639, "v3": 11.121, "v4": 9.414, "amplitude": 31.554, "phase_angle": 144.344, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.006, "frame": { "rmsd": 0.006, "origin": [ -46.315, 45.657, -32.619 ], "x_axis": [ 0.605, -0.758, 0.244 ], "y_axis": [ 0.648, 0.290, -0.704 ], "z_axis": [ 0.463, 0.584, 0.667 ], "quaternion": [ 0.800, -0.402, 0.068, -0.439 ] } }, { "index": 34, "index_chain": 1, "chain_name": "X", "nt_resnum": 42, "nt_name": "DC", "nt_code": "C", "nt_id": "///X/42", "linked_nts": [ null, "///X/43" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C3'-endo,BI,canonical,non-pair-contact,helix,stem-end,coaxial-stack", "alpha": null, "beta": null, "gamma": -178.709, "delta": 100.519, "epsilon": -135.562, "zeta": -81.012, "epsilon_zeta": -54.550, "bb_type": "BI", "chi": -161.864, "glyco_bond": "anti", "C5prime_xyz": [ -1.042, 8.611, 0.782 ], "P_xyz": [ null, null, null ], "form": "B", "ssZp": 4.034, "Dp": 4.191, "splay_angle": 19.765, "splay_distance": 3.283, "splay_ratio": 0.175, "d22": null, "d64": null, "eta": null, "theta": null, "eta_prime": null, "theta_prime": null, "eta_base": null, "theta_base": null, "v0": 3.954, "v1": -15.968, "v2": 21.153, "v3": -19.338, "v4": 9.854, "amplitude": 21.367, "phase_angle": 8.105, "puckering": "C3'-endo", "sugar_class": "~C3'-endo", "bin": "inc", "cluster": "__", "suiteness": 0.000, "filter_rmsd": 0.064, "frame": { "rmsd": 0.003, "origin": [ -46.528, 45.755, -32.940 ], "x_axis": [ 0.511, -0.860, 0.014 ], "y_axis": [ -0.657, -0.380, 0.652 ], "z_axis": [ -0.555, -0.342, -0.758 ], "quaternion": [ 0.305, 0.814, -0.466, -0.166 ] } }, { "index": 35, "index_chain": 2, "chain_name": "X", "nt_resnum": 43, "nt_name": "DG", "nt_code": "G", "nt_id": "///X/43", "linked_nts": [ "///X/42", "///X/44" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,coaxial-stack", "alpha": -68.517, "beta": 159.187, "gamma": 70.150, "delta": 130.579, "epsilon": -174.611, "zeta": -92.769, "epsilon_zeta": -81.841, "bb_type": "BI", "chi": -129.028, "glyco_bond": "anti", "C5prime_xyz": [ -1.741, 8.696, -0.931 ], "P_xyz": [ 0.863, 8.905, -1.093 ], "form": "B", "ssZp": 2.552, "Dp": 2.540, "splay_angle": 18.911, "splay_distance": 3.147, "splay_ratio": 0.164, "d22": null, "d64": null, "eta": 156.694, "theta": -130.012, "eta_prime": -157.701, "theta_prime": -150.155, "eta_base": -110.289, "theta_base": -109.141, "v0": -18.943, "v1": 25.456, "v2": -22.066, "v3": 11.606, "v4": 4.516, "amplitude": 25.176, "phase_angle": 151.217, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "32p", "cluster": "1b", "suiteness": 0.161, "filter_rmsd": 0.004, "frame": { "rmsd": 0.004, "origin": [ -48.039, 43.818, -35.118 ], "x_axis": [ 0.050, -0.879, 0.474 ], "y_axis": [ -0.936, 0.125, 0.330 ], "z_axis": [ -0.349, -0.460, -0.816 ], "quaternion": [ -0.299, -0.660, 0.688, -0.047 ] } }, { "index": 36, "index_chain": 3, "chain_name": "X", "nt_resnum": 44, "nt_name": "DA", "nt_code": "A", "nt_id": "///X/44", "linked_nts": [ "///X/43", "///X/45" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,canonical,non-pair-contact,helix,stem,coaxial-stack", "alpha": -65.469, "beta": 177.070, "gamma": 56.023, "delta": 141.809, "epsilon": -164.361, "zeta": -140.242, "epsilon_zeta": -24.118, "bb_type": "--", "chi": -113.176, "glyco_bond": "anti", "C5prime_xyz": [ -2.195, 8.442, -1.607 ], "P_xyz": [ 0.211, 9.470, -1.470 ], "form": "B", "ssZp": 2.208, "Dp": 2.198, "splay_angle": 18.321, "splay_distance": 3.159, "splay_ratio": 0.162, "d22": null, "d64": null, "eta": 166.295, "theta": -126.163, "eta_prime": -161.294, "theta_prime": -151.544, "eta_base": -109.705, "theta_base": -105.595, "v0": -26.407, "v1": 38.827, "v2": -35.878, "v3": 21.512, "v4": 2.868, "amplitude": 38.941, "phase_angle": 157.124, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.037, "frame": { "rmsd": 0.003, "origin": [ -49.052, 41.918, -37.413 ], "x_axis": [ -0.563, -0.645, 0.517 ], "y_axis": [ -0.792, 0.599, -0.115 ], "z_axis": [ -0.236, -0.474, -0.848 ], "quaternion": [ -0.217, -0.414, 0.868, -0.170 ] } }, { "index": 37, "index_chain": 4, "chain_name": "X", "nt_resnum": 45, "nt_name": "DT", "nt_code": "T", "nt_id": "///X/45", "linked_nts": [ "///X/44", "///X/46" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,coaxial-stack", "alpha": 127.291, "beta": -131.242, "gamma": -169.031, "delta": 118.041, "epsilon": -164.031, "zeta": -100.819, "epsilon_zeta": -63.212, "bb_type": "BI", "chi": -148.437, "glyco_bond": "anti", "C5prime_xyz": [ -2.176, 8.955, -0.219 ], "P_xyz": [ -0.475, 9.836, -2.005 ], "form": ".", "ssZp": 2.479, "Dp": 2.547, "splay_angle": 33.031, "splay_distance": 5.262, "splay_ratio": 0.286, "d22": null, "d64": null, "eta": -172.755, "theta": -149.842, "eta_prime": -163.285, "theta_prime": -153.130, "eta_base": -110.459, "theta_base": -75.203, "v0": -31.801, "v1": 30.423, "v2": -18.058, "v3": 0.246, "v4": 19.749, "amplitude": 32.113, "phase_angle": 124.217, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.107, "frame": { "rmsd": 0.002, "origin": [ -50.207, 39.722, -39.369 ], "x_axis": [ -0.933, -0.166, 0.320 ], "y_axis": [ -0.317, 0.801, -0.508 ], "z_axis": [ -0.172, -0.575, -0.800 ], "quaternion": [ -0.131, -0.128, 0.940, -0.288 ] } }, { "index": 38, "index_chain": 5, "chain_name": "X", "nt_resnum": 46, "nt_name": "DG", "nt_code": "G", "nt_id": "///X/46", "linked_nts": [ "///X/45", "///X/47" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C3'-endo,canonical,non-pair-contact,helix-end,stem-end,coaxial-stack,internal-loop", "alpha": 152.966, "beta": -145.824, "gamma": 159.176, "delta": 97.563, "epsilon": -87.345, "zeta": -128.416, "epsilon_zeta": 41.071, "bb_type": "--", "chi": -127.917, "glyco_bond": "anti", "C5prime_xyz": [ -1.298, 8.518, -1.234 ], "P_xyz": [ 0.245, 8.202, -3.309 ], "form": ".", "ssZp": 1.762, "Dp": 4.133, "splay_angle": 48.732, "splay_distance": 8.836, "splay_ratio": 0.413, "d22": null, "d64": null, "eta": 172.332, "theta": -155.904, "eta_prime": -166.374, "theta_prime": -163.793, "eta_base": -84.300, "theta_base": -168.259, "v0": 2.953, "v1": -16.905, "v2": 23.511, "v3": -22.416, "v4": 12.450, "amplitude": 24.012, "phase_angle": 11.717, "puckering": "C3'-endo", "sugar_class": "~C3'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.004, "frame": { "rmsd": 0.004, "origin": [ -53.807, 39.920, -43.202 ], "x_axis": [ -0.666, 0.442, -0.601 ], "y_axis": [ 0.736, 0.259, -0.626 ], "z_axis": [ -0.121, -0.859, -0.498 ], "quaternion": [ 0.154, 0.378, 0.778, -0.477 ] } }, { "index": 39, "index_chain": 6, "chain_name": "X", "nt_resnum": 47, "nt_name": "DG", "nt_code": "G", "nt_id": "///X/47", "linked_nts": [ "///X/46", "///X/48" ], "nt_type": "DNA", "dbn": ".", "summary": "anti,~C2'-endo,non-pair-contact,internal-loop", "alpha": 41.894, "beta": -98.886, "gamma": -108.643, "delta": 130.756, "epsilon": -129.477, "zeta": -95.065, "epsilon_zeta": -34.412, "bb_type": "--", "chi": -153.083, "glyco_bond": "anti", "C5prime_xyz": [ -1.546, 8.741, 0.480 ], "P_xyz": [ -1.365, 10.685, -1.251 ], "form": "B", "ssZp": 2.251, "Dp": 2.253, "splay_angle": 22.499, "splay_distance": 3.862, "splay_ratio": 0.199, "d22": null, "d64": null, "eta": -140.007, "theta": 170.724, "eta_prime": -149.304, "theta_prime": -164.374, "eta_base": -155.320, "theta_base": -138.481, "v0": -15.678, "v1": 23.471, "v2": -21.903, "v3": 13.325, "v4": 1.338, "amplitude": 23.614, "phase_angle": 158.054, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.005, "frame": { "rmsd": 0.005, "origin": [ -52.057, 32.023, -46.759 ], "x_axis": [ -0.801, 0.457, -0.387 ], "y_axis": [ 0.585, 0.734, -0.344 ], "z_axis": [ 0.127, -0.502, -0.855 ], "quaternion": [ 0.140, 0.283, 0.921, -0.230 ] } }, { "index": 40, "index_chain": 7, "chain_name": "X", "nt_resnum": 48, "nt_name": "DG", "nt_code": "G", "nt_id": "///X/48", "linked_nts": [ "///X/47", "///X/49" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix-end,stem-end,internal-loop", "alpha": -66.237, "beta": 179.335, "gamma": 33.800, "delta": 133.302, "epsilon": 154.582, "zeta": -82.424, "epsilon_zeta": -122.994, "bb_type": "BI", "chi": -97.251, "glyco_bond": "anti", "C5prime_xyz": [ -1.869, 7.873, -2.380 ], "P_xyz": [ 0.495, 8.966, -2.448 ], "form": ".", "ssZp": 1.733, "Dp": 1.868, "splay_angle": 18.883, "splay_distance": 3.411, "splay_ratio": 0.170, "d22": null, "d64": null, "eta": 141.546, "theta": -131.943, "eta_prime": -174.357, "theta_prime": -159.874, "eta_base": -146.453, "theta_base": -136.204, "v0": -11.450, "v1": 23.415, "v2": -25.815, "v3": 19.717, "v4": -5.446, "amplitude": 26.007, "phase_angle": 173.038, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "2[", "suiteness": 0.010, "filter_rmsd": 0.005, "frame": { "rmsd": 0.005, "origin": [ -50.647, 29.643, -49.454 ], "x_axis": [ -0.382, 0.826, -0.414 ], "y_axis": [ 0.924, 0.331, -0.192 ], "z_axis": [ -0.022, -0.456, -0.890 ], "quaternion": [ 0.121, 0.542, 0.807, -0.201 ] } }, { "index": 41, "index_chain": 8, "chain_name": "X", "nt_resnum": 49, "nt_name": "DT", "nt_code": "T", "nt_id": "///X/49", "linked_nts": [ "///X/48", "///X/50" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": 179.291, "beta": 172.874, "gamma": 168.055, "delta": 132.281, "epsilon": -150.813, "zeta": -103.333, "epsilon_zeta": -47.480, "bb_type": "BI", "chi": -133.223, "glyco_bond": "anti", "C5prime_xyz": [ -2.219, 8.806, -0.697 ], "P_xyz": [ -0.791, 10.171, -2.379 ], "form": "B", "ssZp": 2.210, "Dp": 2.221, "splay_angle": 18.194, "splay_distance": 3.016, "splay_ratio": 0.160, "d22": null, "d64": null, "eta": -169.548, "theta": -172.438, "eta_prime": -165.175, "theta_prime": -163.649, "eta_base": -138.182, "theta_base": -113.482, "v0": -29.682, "v1": 36.988, "v2": -30.008, "v3": 13.743, "v4": 9.823, "amplitude": 36.279, "phase_angle": 145.807, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.107, "frame": { "rmsd": 0.002, "origin": [ -51.781, 27.805, -52.094 ], "x_axis": [ 0.026, 0.899, -0.436 ], "y_axis": [ 0.994, -0.071, -0.085 ], "z_axis": [ -0.107, -0.432, -0.896 ], "quaternion": [ 0.123, 0.706, 0.671, -0.193 ] } }, { "index": 42, "index_chain": 9, "chain_name": "X", "nt_resnum": 50, "nt_name": "DA", "nt_code": "A", "nt_id": "///X/50", "linked_nts": [ "///X/49", "///X/51" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -64.425, "beta": 179.551, "gamma": 38.099, "delta": 135.157, "epsilon": -173.943, "zeta": -98.713, "epsilon_zeta": -75.229, "bb_type": "BI", "chi": -89.499, "glyco_bond": "anti", "C5prime_xyz": [ -2.375, 7.592, -2.598 ], "P_xyz": [ -0.031, 8.684, -2.971 ], "form": "B", "ssZp": 1.758, "Dp": 2.287, "splay_angle": 19.147, "splay_distance": 3.417, "splay_ratio": 0.168, "d22": null, "d64": null, "eta": 156.782, "theta": -136.342, "eta_prime": -173.989, "theta_prime": -151.809, "eta_base": -121.122, "theta_base": -122.569, "v0": -15.391, "v1": 25.179, "v2": -24.922, "v3": 16.704, "v4": -0.999, "amplitude": 26.006, "phase_angle": 163.399, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.034, "frame": { "rmsd": 0.007, "origin": [ -51.453, 26.823, -54.927 ], "x_axis": [ 0.685, 0.625, -0.375 ], "y_axis": [ 0.673, -0.739, -0.002 ], "z_axis": [ -0.279, -0.251, -0.927 ], "quaternion": [ 0.068, 0.915, 0.355, -0.179 ] } }, { "index": 43, "index_chain": 10, "chain_name": "X", "nt_resnum": 51, "nt_name": "DG", "nt_code": "G", "nt_id": "///X/51", "linked_nts": [ "///X/50", "///X/52" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -51.206, "beta": 154.455, "gamma": 55.411, "delta": 109.504, "epsilon": -174.879, "zeta": -97.991, "epsilon_zeta": -76.888, "bb_type": "BI", "chi": -124.257, "glyco_bond": "anti", "C5prime_xyz": [ -3.372, 8.479, -1.540 ], "P_xyz": [ -1.421, 10.088, -2.148 ], "form": ".", "ssZp": 2.825, "Dp": 2.802, "splay_angle": 20.967, "splay_distance": 3.704, "splay_ratio": 0.187, "d22": null, "d64": null, "eta": 168.444, "theta": -157.942, "eta_prime": -169.060, "theta_prime": -166.895, "eta_base": -133.973, "theta_base": -123.355, "v0": -44.007, "v1": 36.640, "v2": -16.016, "v3": -8.853, "v4": 32.853, "amplitude": 42.860, "phase_angle": 111.943, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "23p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.006, "frame": { "rmsd": 0.006, "origin": [ -51.747, 26.612, -58.325 ], "x_axis": [ 0.930, 0.328, -0.164 ], "y_axis": [ 0.348, -0.930, 0.114 ], "z_axis": [ -0.116, -0.163, -0.980 ], "quaternion": [ 0.071, 0.980, 0.173, -0.071 ] } }, { "index": 44, "index_chain": 11, "chain_name": "X", "nt_resnum": 52, "nt_name": "DC", "nt_code": "C", "nt_id": "///X/52", "linked_nts": [ "///X/51", null ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,canonical,non-pair-contact,helix-end,stem-end,phosphate", "alpha": -59.935, "beta": 171.324, "gamma": 55.095, "delta": 114.174, "epsilon": null, "zeta": null, "epsilon_zeta": null, "bb_type": "--", "chi": -134.838, "glyco_bond": "anti", "C5prime_xyz": [ -2.308, 8.909, -1.058 ], "P_xyz": [ -0.104, 10.299, -0.819 ], "form": "-", "ssZp": null, "Dp": null, "splay_angle": null, "splay_distance": null, "splay_ratio": null, "d22": null, "d64": null, "eta": null, "theta": null, "eta_prime": null, "theta_prime": null, "eta_base": null, "theta_base": null, "v0": -35.977, "v1": 32.001, "v2": -16.691, "v3": -3.585, "v4": 24.803, "amplitude": 35.482, "phase_angle": 118.061, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.063, "frame": { "rmsd": 0.003, "origin": [ -51.058, 27.074, -61.934 ], "x_axis": [ 0.951, -0.288, 0.116 ], "y_axis": [ -0.305, -0.937, 0.169 ], "z_axis": [ 0.060, -0.196, -0.979 ], "quaternion": [ 0.093, 0.983, -0.151, 0.045 ] } }, { "index": 45, "index_chain": 1, "chain_name": "Y", "nt_resnum": 31, "nt_name": "DG", "nt_code": "G", "nt_id": "///Y/31", "linked_nts": [ null, "///Y/32" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,canonical,non-pair-contact,helix-end,stem-end", "alpha": null, "beta": null, "gamma": 179.661, "delta": 120.322, "epsilon": -115.763, "zeta": -81.928, "epsilon_zeta": -33.835, "bb_type": "--", "chi": 164.351, "glyco_bond": "anti", "C5prime_xyz": [ -1.639, 7.514, 2.653 ], "P_xyz": [ null, null, null ], "form": "B", "ssZp": 3.130, "Dp": 3.269, "splay_angle": 19.255, "splay_distance": 3.411, "splay_ratio": 0.170, "d22": null, "d64": null, "eta": null, "theta": null, "eta_prime": null, "theta_prime": null, "eta_base": null, "theta_base": null, "v0": 4.261, "v1": -1.880, "v2": -0.996, "v3": 3.467, "v4": -4.897, "amplitude": 4.817, "phase_angle": 258.066, "puckering": "O4'-exo", "sugar_class": "--", "bin": "inc", "cluster": "__", "suiteness": 0.000, "filter_rmsd": 0.010, "frame": { "rmsd": 0.010, "origin": [ -25.382, 49.646, -2.158 ], "x_axis": [ 0.048, -0.951, -0.305 ], "y_axis": [ -0.935, -0.150, 0.320 ], "z_axis": [ -0.351, 0.269, -0.897 ], "quaternion": [ 0.018, 0.724, -0.652, -0.226 ] } }, { "index": 46, "index_chain": 2, "chain_name": "Y", "nt_resnum": 32, "nt_name": "DC", "nt_code": "C", "nt_id": "///Y/32", "linked_nts": [ "///Y/31", "///Y/33" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,BI,canonical,non-pair-contact,helix,stem", "alpha": 127.155, "beta": -140.314, "gamma": -178.492, "delta": 107.029, "epsilon": -148.172, "zeta": -78.368, "epsilon_zeta": -69.804, "bb_type": "BI", "chi": -162.258, "glyco_bond": "anti", "C5prime_xyz": [ -2.324, 9.047, 0.275 ], "P_xyz": [ -0.452, 10.276, -1.079 ], "form": ".", "ssZp": 2.713, "Dp": 2.765, "splay_angle": 14.862, "splay_distance": 2.685, "splay_ratio": 0.133, "d22": 4.288, "d64": 3.894, "eta": 148.064, "theta": -155.668, "eta_prime": -174.482, "theta_prime": -149.884, "eta_base": -135.120, "theta_base": -127.743, "v0": -34.761, "v1": 25.873, "v2": -8.133, "v3": -11.684, "v4": 29.217, "amplitude": 33.978, "phase_angle": 103.848, "puckering": "O4'-endo", "sugar_class": "--", "bin": "23t", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.063, "frame": { "rmsd": 0.002, "origin": [ -25.437, 50.310, -5.503 ], "x_axis": [ -0.456, -0.889, 0.030 ], "y_axis": [ -0.828, 0.437, 0.352 ], "z_axis": [ -0.326, 0.136, -0.936 ], "quaternion": [ -0.106, -0.511, 0.841, 0.145 ] } }, { "index": 47, "index_chain": 3, "chain_name": "Y", "nt_resnum": 33, "nt_name": "DT", "nt_code": "T", "nt_id": "///Y/33", "linked_nts": [ "///Y/32", "///Y/34" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BII,canonical,non-pair-contact,helix,stem", "alpha": -58.435, "beta": 171.044, "gamma": 30.178, "delta": 135.874, "epsilon": -85.879, "zeta": -164.622, "epsilon_zeta": 78.743, "bb_type": "BII", "chi": -96.090, "glyco_bond": "anti", "C5prime_xyz": [ -3.366, 7.952, -2.226 ], "P_xyz": [ -1.693, 9.940, -2.583 ], "form": "B", "ssZp": 0.953, "Dp": 0.948, "splay_angle": 20.785, "splay_distance": 3.528, "splay_ratio": 0.183, "d22": null, "d64": null, "eta": 174.728, "theta": -162.225, "eta_prime": -156.199, "theta_prime": -162.407, "eta_base": -131.674, "theta_base": -114.625, "v0": -38.671, "v1": 46.875, "v2": -36.825, "v3": 15.776, "v4": 14.089, "amplitude": 45.809, "phase_angle": 143.502, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "32p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.108, "frame": { "rmsd": 0.003, "origin": [ -25.519, 49.910, -8.157 ], "x_axis": [ -0.762, -0.604, 0.235 ], "y_axis": [ -0.612, 0.789, 0.042 ], "z_axis": [ -0.211, -0.111, -0.971 ], "quaternion": [ -0.119, -0.324, 0.938, -0.018 ] } }, { "index": 48, "index_chain": 4, "chain_name": "Y", "nt_resnum": 34, "nt_name": "DA", "nt_code": "A", "nt_id": "///Y/34", "linked_nts": [ "///Y/33", "///Y/35" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -79.445, "beta": 116.389, "gamma": 59.164, "delta": 116.143, "epsilon": -170.367, "zeta": -92.861, "epsilon_zeta": -77.506, "bb_type": "BI", "chi": -110.715, "glyco_bond": "anti", "C5prime_xyz": [ -3.392, 8.191, -2.007 ], "P_xyz": [ -1.073, 8.709, -3.083 ], "form": ".", "ssZp": 2.589, "Dp": 2.632, "splay_angle": 17.416, "splay_distance": 3.195, "splay_ratio": 0.159, "d22": null, "d64": null, "eta": 149.728, "theta": -131.456, "eta_prime": 179.489, "theta_prime": -155.523, "eta_base": -130.582, "theta_base": -121.249, "v0": -42.924, "v1": 39.770, "v2": -21.963, "v3": -2.238, "v4": 28.238, "amplitude": 42.831, "phase_angle": 120.849, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.036, "frame": { "rmsd": 0.005, "origin": [ -26.831, 50.470, -11.384 ], "x_axis": [ -0.976, -0.036, 0.213 ], "y_axis": [ -0.074, 0.981, -0.177 ], "z_axis": [ -0.203, -0.189, -0.961 ], "quaternion": [ -0.105, -0.028, 0.990, -0.092 ] } }, { "index": 49, "index_chain": 5, "chain_name": "Y", "nt_resnum": 35, "nt_name": "DC", "nt_code": "C", "nt_id": "///Y/35", "linked_nts": [ "///Y/34", "///Y/36" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,canonical,non-pair-contact,helix-end,stem-end,internal-loop,phosphate", "alpha": -63.938, "beta": 168.655, "gamma": 54.471, "delta": 121.716, "epsilon": -97.966, "zeta": -83.804, "epsilon_zeta": -14.162, "bb_type": "--", "chi": -106.610, "glyco_bond": "anti", "C5prime_xyz": [ -3.508, 8.186, -2.068 ], "P_xyz": [ -1.826, 9.951, -3.000 ], "form": "-", "ssZp": null, "Dp": null, "splay_angle": null, "splay_distance": null, "splay_ratio": null, "d22": null, "d64": null, "eta": -167.426, "theta": -87.202, "eta_prime": -154.919, "theta_prime": -108.675, "eta_base": -119.896, "theta_base": null, "v0": -45.263, "v1": 45.478, "v2": -28.423, "v3": 3.206, "v4": 26.129, "amplitude": 46.602, "phase_angle": 127.582, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.061, "frame": { "rmsd": 0.004, "origin": [ -28.979, 49.496, -13.539 ], "x_axis": [ -0.828, 0.473, 0.302 ], "y_axis": [ 0.301, 0.828, -0.473 ], "z_axis": [ -0.474, -0.300, -0.828 ], "quaternion": [ -0.208, 0.207, 0.933, -0.207 ] } }, { "index": 50, "index_chain": 6, "chain_name": "Y", "nt_resnum": 36, "nt_name": "3DR", "nt_code": "?", "is_modified": true, "nt_id": "///Y/36", "linked_nts": [ "///Y/35", "///Y/37" ], "nt_type": "DNA", "dbn": ".", "summary": "modified,turn,~C2'-endo,non-stack,internal-loop,phosphate", "alpha": -62.284, "beta": 160.943, "gamma": -172.066, "delta": 127.338, "epsilon": -117.092, "zeta": -102.731, "epsilon_zeta": -14.361, "bb_type": "--", "chi": null, "glyco_bond": "--", "C5prime_xyz": [ null, null, null ], "P_xyz": [ null, null, null ], "form": "-", "ssZp": null, "Dp": null, "splay_angle": null, "splay_distance": null, "splay_ratio": null, "d22": null, "d64": null, "eta": -39.015, "theta": -118.888, "eta_prime": -14.597, "theta_prime": -158.445, "eta_base": null, "theta_base": null, "v0": -29.176, "v1": 33.463, "v2": -25.089, "v3": 8.966, "v4": 12.559, "amplitude": 33.054, "phase_angle": 139.379, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "22t", "cluster": "2u", "suiteness": 0.010, "filter_rmsd": null }, { "index": 51, "index_chain": 7, "chain_name": "Y", "nt_resnum": 37, "nt_name": "DC", "nt_code": "C", "nt_id": "///Y/37", "linked_nts": [ "///Y/36", "///Y/38" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BII,canonical,non-pair-contact,helix-end,stem-end,coaxial-stack,internal-loop,phosphate", "alpha": 78.181, "beta": 135.456, "gamma": 109.797, "delta": 144.549, "epsilon": -116.224, "zeta": 174.611, "epsilon_zeta": 69.165, "bb_type": "BII", "chi": -110.961, "glyco_bond": "anti", "C5prime_xyz": [ -2.151, 8.453, -1.652 ], "P_xyz": [ -0.246, 8.154, -3.422 ], "form": ".", "ssZp": 1.312, "Dp": 1.340, "splay_angle": 24.919, "splay_distance": 4.418, "splay_ratio": 0.241, "d22": null, "d64": null, "eta": -12.931, "theta": 137.275, "eta_prime": 47.013, "theta_prime": 139.641, "eta_base": null, "theta_base": -175.089, "v0": -24.881, "v1": 38.424, "v2": -36.692, "v3": 23.324, "v4": 0.754, "amplitude": 39.006, "phase_angle": 160.164, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.063, "frame": { "rmsd": 0.002, "origin": [ -37.002, 52.361, -20.923 ], "x_axis": [ -0.002, 0.999, 0.045 ], "y_axis": [ 0.837, 0.026, -0.547 ], "z_axis": [ -0.548, 0.036, -0.836 ], "quaternion": [ -0.217, 0.672, 0.683, -0.187 ] } }, { "index": 52, "index_chain": 8, "chain_name": "Y", "nt_resnum": 38, "nt_name": "DA", "nt_code": "A", "nt_id": "///Y/38", "linked_nts": [ "///Y/37", "///Y/39" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,coaxial-stack,phosphate", "alpha": -78.064, "beta": 139.908, "gamma": 61.379, "delta": 137.911, "epsilon": 171.646, "zeta": -86.797, "epsilon_zeta": -101.557, "bb_type": "BI", "chi": -116.541, "glyco_bond": "anti", "C5prime_xyz": [ -1.528, 8.356, -1.424 ], "P_xyz": [ 1.032, 7.947, -1.587 ], "form": "B", "ssZp": 2.062, "Dp": 2.087, "splay_angle": 16.344, "splay_distance": 2.840, "splay_ratio": 0.145, "d22": null, "d64": null, "eta": 157.659, "theta": -97.225, "eta_prime": -166.464, "theta_prime": -146.817, "eta_base": -128.983, "theta_base": -113.672, "v0": -11.960, "v1": 24.567, "v2": -27.173, "v3": 20.875, "v4": -5.829, "amplitude": 27.360, "phase_angle": 173.301, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "4b", "suiteness": 0.331, "filter_rmsd": 0.038, "frame": { "rmsd": 0.003, "origin": [ -38.008, 49.266, -23.909 ], "x_axis": [ 0.124, 0.752, -0.648 ], "y_axis": [ 0.773, -0.482, -0.411 ], "z_axis": [ -0.622, -0.450, -0.641 ], "quaternion": [ 0.013, 0.750, 0.509, -0.423 ] } }, { "index": 53, "index_chain": 9, "chain_name": "Y", "nt_resnum": 39, "nt_name": "DT", "nt_code": "T", "nt_id": "///Y/39", "linked_nts": [ "///Y/38", "///Y/40" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,canonical,non-pair-contact,helix,stem,coaxial-stack,phosphate", "alpha": 168.014, "beta": 171.503, "gamma": 171.866, "delta": 142.831, "epsilon": -150.127, "zeta": -120.545, "epsilon_zeta": -29.581, "bb_type": "--", "chi": -125.781, "glyco_bond": "anti", "C5prime_xyz": [ -1.864, 8.640, -0.884 ], "P_xyz": [ -0.378, 9.674, -2.762 ], "form": "B", "ssZp": 1.990, "Dp": 1.979, "splay_angle": 22.823, "splay_distance": 3.911, "splay_ratio": 0.198, "d22": 4.660, "d64": 4.370, "eta": -173.507, "theta": -178.831, "eta_prime": -160.796, "theta_prime": -172.244, "eta_base": -119.183, "theta_base": -127.543, "v0": -21.269, "v1": 34.887, "v2": -34.401, "v3": 22.931, "v4": -1.252, "amplitude": 35.936, "phase_angle": 163.197, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22t", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.106, "frame": { "rmsd": 0.002, "origin": [ -40.033, 48.783, -25.841 ], "x_axis": [ 0.498, 0.336, -0.799 ], "y_axis": [ 0.424, -0.898, -0.114 ], "z_axis": [ -0.756, -0.283, -0.590 ], "quaternion": [ 0.049, 0.864, 0.220, -0.450 ] } }, { "index": 54, "index_chain": 10, "chain_name": "Y", "nt_resnum": 40, "nt_name": "DC", "nt_code": "C", "nt_id": "///Y/40", "linked_nts": [ "///Y/39", "///Y/41" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,coaxial-stack", "alpha": -38.436, "beta": 153.487, "gamma": 34.403, "delta": 124.205, "epsilon": -164.458, "zeta": -99.185, "epsilon_zeta": -65.273, "bb_type": "BI", "chi": -116.972, "glyco_bond": "anti", "C5prime_xyz": [ -2.510, 8.575, -1.692 ], "P_xyz": [ -0.261, 9.870, -1.456 ], "form": "B", "ssZp": 2.286, "Dp": 2.337, "splay_angle": 18.450, "splay_distance": 3.183, "splay_ratio": 0.161, "d22": null, "d64": null, "eta": 167.590, "theta": -138.937, "eta_prime": -166.450, "theta_prime": -147.358, "eta_base": -119.479, "theta_base": -110.905, "v0": -33.732, "v1": 35.977, "v2": -24.926, "v3": 6.205, "v4": 17.129, "amplitude": 36.162, "phase_angle": 133.573, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.067, "frame": { "rmsd": 0.005, "origin": [ -42.959, 47.891, -28.278 ], "x_axis": [ 0.596, -0.280, -0.753 ], "y_axis": [ 0.084, -0.910, 0.405 ], "z_axis": [ -0.799, -0.304, -0.519 ], "quaternion": [ 0.204, 0.870, -0.056, -0.446 ] } }, { "index": 55, "index_chain": 11, "chain_name": "Y", "nt_resnum": 41, "nt_name": "DG", "nt_code": "G", "nt_id": "///Y/41", "linked_nts": [ "///Y/40", null ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,canonical,non-pair-contact,helix,stem-end,coaxial-stack,phosphate", "alpha": -56.698, "beta": 176.600, "gamma": 34.873, "delta": 125.709, "epsilon": null, "zeta": null, "epsilon_zeta": null, "bb_type": "--", "chi": -104.410, "glyco_bond": "anti", "C5prime_xyz": [ -2.424, 8.222, -2.192 ], "P_xyz": [ -0.291, 9.718, -2.396 ], "form": "-", "ssZp": null, "Dp": null, "splay_angle": null, "splay_distance": null, "splay_ratio": null, "d22": null, "d64": null, "eta": null, "theta": null, "eta_prime": null, "theta_prime": null, "eta_base": null, "theta_base": null, "v0": -27.450, "v1": 31.176, "v2": -23.132, "v3": 7.860, "v4": 12.242, "amplitude": 30.890, "phase_angle": 138.489, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.008, "frame": { "rmsd": 0.008, "origin": [ -44.949, 46.727, -30.473 ], "x_axis": [ 0.690, -0.668, -0.278 ], "y_axis": [ -0.368, -0.655, 0.660 ], "z_axis": [ -0.624, -0.353, -0.698 ], "quaternion": [ 0.290, 0.872, -0.297, -0.259 ] } }, { "index": 56, "index_chain": 1, "chain_name": "Z", "nt_resnum": 42, "nt_name": "DC", "nt_code": "C", "nt_id": "///Z/42", "linked_nts": [ null, "///Z/43" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C3'-endo,BI,canonical,non-pair-contact,helix,stem-end,coaxial-stack", "alpha": null, "beta": null, "gamma": 46.396, "delta": 95.097, "epsilon": 179.977, "zeta": -89.083, "epsilon_zeta": -90.939, "bb_type": "BI", "chi": -157.031, "glyco_bond": "anti", "C5prime_xyz": [ -0.981, 8.675, 0.464 ], "P_xyz": [ null, null, null ], "form": "B", "ssZp": 3.914, "Dp": 3.973, "splay_angle": 19.368, "splay_distance": 3.108, "splay_ratio": 0.169, "d22": null, "d64": null, "eta": null, "theta": null, "eta_prime": null, "theta_prime": null, "eta_base": null, "theta_base": null, "v0": 4.842, "v1": -19.618, "v2": 25.991, "v3": -23.785, "v4": 12.152, "amplitude": 26.258, "phase_angle": 8.165, "puckering": "C3'-endo", "sugar_class": "~C3'-endo", "bin": "inc", "cluster": "__", "suiteness": 0.000, "filter_rmsd": 0.064, "frame": { "rmsd": 0.003, "origin": [ -44.977, 47.005, -30.044 ], "x_axis": [ 0.788, -0.613, -0.063 ], "y_axis": [ 0.416, 0.605, -0.679 ], "z_axis": [ 0.454, 0.508, 0.732 ], "quaternion": [ 0.884, -0.336, 0.146, -0.291 ] } }, { "index": 57, "index_chain": 2, "chain_name": "Z", "nt_resnum": 43, "nt_name": "DG", "nt_code": "G", "nt_id": "///Z/43", "linked_nts": [ "///Z/42", "///Z/44" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,coaxial-stack", "alpha": 173.943, "beta": -115.059, "gamma": 145.934, "delta": 112.685, "epsilon": -167.572, "zeta": -85.344, "epsilon_zeta": -82.228, "bb_type": "BI", "chi": -148.633, "glyco_bond": "anti", "C5prime_xyz": [ -2.300, 8.979, -0.274 ], "P_xyz": [ 0.235, 9.062, -0.930 ], "form": "B", "ssZp": 2.801, "Dp": 2.820, "splay_angle": 20.310, "splay_distance": 3.422, "splay_ratio": 0.177, "d22": null, "d64": null, "eta": 157.531, "theta": -127.333, "eta_prime": -157.301, "theta_prime": -149.011, "eta_base": -110.108, "theta_base": -105.846, "v0": -31.857, "v1": 26.797, "v2": -12.215, "v3": -5.906, "v4": 23.779, "amplitude": 31.194, "phase_angle": 113.054, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.005, "frame": { "rmsd": 0.005, "origin": [ -42.937, 47.844, -27.854 ], "x_axis": [ 0.868, -0.172, -0.465 ], "y_axis": [ -0.008, 0.933, -0.360 ], "z_axis": [ 0.496, 0.316, 0.808 ], "quaternion": [ 0.950, -0.178, 0.253, -0.043 ] } }, { "index": 58, "index_chain": 3, "chain_name": "Z", "nt_resnum": 44, "nt_name": "DA", "nt_code": "A", "nt_id": "///Z/44", "linked_nts": [ "///Z/43", "///Z/45" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,coaxial-stack", "alpha": -60.268, "beta": 178.336, "gamma": 48.117, "delta": 139.722, "epsilon": -162.385, "zeta": -117.816, "epsilon_zeta": -44.569, "bb_type": "BI", "chi": -113.826, "glyco_bond": "anti", "C5prime_xyz": [ -2.299, 8.457, -1.600 ], "P_xyz": [ -0.044, 9.751, -1.241 ], "form": "B", "ssZp": 2.160, "Dp": 2.170, "splay_angle": 19.373, "splay_distance": 3.311, "splay_ratio": 0.170, "d22": null, "d64": null, "eta": 166.497, "theta": -144.910, "eta_prime": -160.633, "theta_prime": -157.431, "eta_base": -105.785, "theta_base": -116.329, "v0": -27.699, "v1": 38.840, "v2": -34.838, "v3": 19.791, "v4": 4.767, "amplitude": 38.651, "phase_angle": 154.337, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.037, "frame": { "rmsd": 0.003, "origin": [ -40.457, 48.560, -25.607 ], "x_axis": [ 0.669, 0.506, -0.544 ], "y_axis": [ -0.544, 0.833, 0.105 ], "z_axis": [ 0.506, 0.226, 0.832 ], "quaternion": [ 0.913, -0.033, 0.288, 0.287 ] } }, { "index": 59, "index_chain": 4, "chain_name": "Z", "nt_resnum": 45, "nt_name": "DT", "nt_code": "T", "nt_id": "///Z/45", "linked_nts": [ "///Z/44", "///Z/46" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,canonical,non-pair-contact,helix,stem,coaxial-stack", "alpha": -62.188, "beta": 152.915, "gamma": 65.921, "delta": 127.852, "epsilon": -154.187, "zeta": -148.939, "epsilon_zeta": -5.248, "bb_type": "--", "chi": -127.509, "glyco_bond": "anti", "C5prime_xyz": [ -2.768, 8.713, -1.213 ], "P_xyz": [ -0.442, 9.856, -1.482 ], "form": ".", "ssZp": 2.297, "Dp": 2.331, "splay_angle": 28.333, "splay_distance": 4.624, "splay_ratio": 0.245, "d22": null, "d64": null, "eta": 174.077, "theta": -130.641, "eta_prime": -162.592, "theta_prime": -147.259, "eta_base": -115.960, "theta_base": -76.062, "v0": -38.778, "v1": 42.453, "v2": -29.991, "v3": 8.453, "v4": 18.871, "amplitude": 42.263, "phase_angle": 135.203, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.106, "frame": { "rmsd": 0.002, "origin": [ -38.261, 49.132, -23.196 ], "x_axis": [ 0.284, 0.902, -0.326 ], "y_axis": [ -0.805, 0.409, 0.430 ], "z_axis": [ 0.521, 0.141, 0.842 ], "quaternion": [ 0.796, 0.091, 0.266, 0.536 ] } }, { "index": 60, "index_chain": 5, "chain_name": "Z", "nt_resnum": 46, "nt_name": "DG", "nt_code": "G", "nt_id": "///Z/46", "linked_nts": [ "///Z/45", "///Z/47" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,canonical,non-pair-contact,helix-end,stem-end,coaxial-stack,internal-loop", "alpha": 124.454, "beta": -100.495, "gamma": 175.517, "delta": 92.922, "epsilon": -138.499, "zeta": -116.621, "epsilon_zeta": -21.878, "bb_type": "--", "chi": -147.753, "glyco_bond": "anti", "C5prime_xyz": [ -2.347, 9.016, -0.470 ], "P_xyz": [ -0.778, 8.969, -2.559 ], "form": ".", "ssZp": 3.260, "Dp": 3.523, "splay_angle": 43.329, "splay_distance": 7.880, "splay_ratio": 0.372, "d22": null, "d64": null, "eta": 176.882, "theta": -156.138, "eta_prime": -162.608, "theta_prime": -161.907, "eta_base": -83.844, "theta_base": -162.950, "v0": -27.710, "v1": 9.835, "v2": 10.315, "v3": -26.499, "v4": 34.281, "amplitude": 33.572, "phase_angle": 72.106, "puckering": "O4'-endo", "sugar_class": "--", "bin": "23t", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.004, "frame": { "rmsd": 0.004, "origin": [ -37.734, 52.464, -20.032 ], "x_axis": [ -0.305, 0.850, 0.429 ], "y_axis": [ -0.563, -0.524, 0.639 ], "z_axis": [ 0.768, -0.047, 0.639 ], "quaternion": [ 0.450, 0.381, 0.188, 0.785 ] } }, { "index": 61, "index_chain": 6, "chain_name": "Z", "nt_resnum": 47, "nt_name": "DG", "nt_code": "G", "nt_id": "///Z/47", "linked_nts": [ "///Z/46", "///Z/48" ], "nt_type": "DNA", "dbn": ".", "summary": "anti,~C2'-endo,BII,non-pair-contact,internal-loop", "alpha": 46.745, "beta": 163.630, "gamma": -50.563, "delta": 140.617, "epsilon": -103.631, "zeta": 171.029, "epsilon_zeta": 85.340, "bb_type": "BII", "chi": -109.556, "glyco_bond": "anti", "C5prime_xyz": [ -2.146, 8.384, -1.711 ], "P_xyz": [ -1.383, 10.880, -1.587 ], "form": ".", "ssZp": 1.070, "Dp": 1.309, "splay_angle": 22.856, "splay_distance": 4.059, "splay_ratio": 0.209, "d22": null, "d64": null, "eta": -165.383, "theta": -176.560, "eta_prime": -157.335, "theta_prime": -169.373, "eta_base": -157.382, "theta_base": -141.954, "v0": -23.243, "v1": 35.214, "v2": -33.197, "v3": 20.627, "v4": 1.460, "amplitude": 35.567, "phase_angle": 158.965, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "32m", "cluster": "7r", "suiteness": 0.396, "filter_rmsd": 0.004, "frame": { "rmsd": 0.004, "origin": [ -30.614, 51.292, -16.866 ], "x_axis": [ -0.513, 0.834, 0.203 ], "y_axis": [ -0.743, -0.550, 0.382 ], "z_axis": [ 0.430, 0.045, 0.902 ], "quaternion": [ 0.458, 0.184, 0.124, 0.861 ] } }, { "index": 62, "index_chain": 7, "chain_name": "Z", "nt_resnum": 48, "nt_name": "DG", "nt_code": "G", "nt_id": "///Z/48", "linked_nts": [ "///Z/47", "///Z/49" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix-end,stem-end,internal-loop", "alpha": 97.401, "beta": -123.643, "gamma": 174.935, "delta": 143.743, "epsilon": -153.300, "zeta": -122.365, "epsilon_zeta": -30.935, "bb_type": "BI", "chi": -123.903, "glyco_bond": "anti", "C5prime_xyz": [ -2.000, 8.724, -0.994 ], "P_xyz": [ 0.089, 8.670, -2.535 ], "form": ".", "ssZp": 1.882, "Dp": 1.937, "splay_angle": 17.969, "splay_distance": 3.291, "splay_ratio": 0.163, "d22": null, "d64": null, "eta": 158.057, "theta": -132.350, "eta_prime": -168.144, "theta_prime": -164.639, "eta_base": -143.272, "theta_base": -135.813, "v0": -25.702, "v1": 39.977, "v2": -38.473, "v3": 24.553, "v4": 0.519, "amplitude": 40.783, "phase_angle": 160.623, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22t", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.008, "frame": { "rmsd": 0.008, "origin": [ -28.578, 49.337, -13.949 ], "x_axis": [ -0.750, 0.519, 0.409 ], "y_axis": [ -0.441, -0.854, 0.275 ], "z_axis": [ 0.492, 0.026, 0.870 ], "quaternion": [ 0.258, 0.242, 0.081, 0.932 ] } }, { "index": 63, "index_chain": 8, "chain_name": "Z", "nt_resnum": 49, "nt_name": "DT", "nt_code": "T", "nt_id": "///Z/49", "linked_nts": [ "///Z/48", "///Z/50" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,canonical,non-pair-contact,helix,stem", "alpha": 21.708, "beta": 173.153, "gamma": -50.448, "delta": 157.650, "epsilon": -154.287, "zeta": -126.042, "epsilon_zeta": -28.245, "bb_type": "--", "chi": -95.659, "glyco_bond": "anti", "C5prime_xyz": [ -2.020, 7.904, -2.081 ], "P_xyz": [ -0.958, 10.239, -2.450 ], "form": "B", "ssZp": 1.570, "Dp": 1.617, "splay_angle": 20.202, "splay_distance": 3.381, "splay_ratio": 0.178, "d22": null, "d64": null, "eta": 166.294, "theta": -165.589, "eta_prime": -172.104, "theta_prime": -162.609, "eta_base": -140.582, "theta_base": -114.204, "v0": -13.580, "v1": 34.524, "v2": -41.235, "v3": 34.502, "v4": -13.375, "amplitude": 41.235, "phase_angle": 179.898, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.107, "frame": { "rmsd": 0.002, "origin": [ -26.677, 50.540, -11.546 ], "x_axis": [ -0.904, 0.039, 0.425 ], "y_axis": [ 0.026, -0.989, 0.147 ], "z_axis": [ 0.426, 0.144, 0.893 ], "quaternion": [ 0.003, 0.219, 0.075, 0.973 ] } }, { "index": 64, "index_chain": 9, "chain_name": "Z", "nt_resnum": 50, "nt_name": "DA", "nt_code": "A", "nt_id": "///Z/50", "linked_nts": [ "///Z/49", "///Z/51" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -59.334, "beta": 162.827, "gamma": 42.791, "delta": 137.465, "epsilon": -161.674, "zeta": -114.922, "epsilon_zeta": -46.752, "bb_type": "BI", "chi": -100.203, "glyco_bond": "anti", "C5prime_xyz": [ -2.388, 8.032, -2.181 ], "P_xyz": [ 0.041, 8.938, -2.388 ], "form": "B", "ssZp": 1.976, "Dp": 2.159, "splay_angle": 18.493, "splay_distance": 3.215, "splay_ratio": 0.161, "d22": null, "d64": null, "eta": 162.439, "theta": -137.032, "eta_prime": -172.954, "theta_prime": -154.743, "eta_base": -122.964, "theta_base": -117.171, "v0": -22.200, "v1": 32.513, "v2": -30.099, "v3": 18.125, "v4": 2.384, "amplitude": 32.654, "phase_angle": 157.183, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.034, "frame": { "rmsd": 0.006, "origin": [ -25.519, 50.120, -8.398 ], "x_axis": [ -0.750, -0.591, 0.297 ], "y_axis": [ 0.600, -0.797, -0.072 ], "z_axis": [ 0.279, 0.124, 0.952 ], "quaternion": [ -0.318, 0.154, 0.014, 0.935 ] } }, { "index": 65, "index_chain": 10, "chain_name": "Z", "nt_resnum": 51, "nt_name": "DG", "nt_code": "G", "nt_id": "///Z/51", "linked_nts": [ "///Z/50", "///Z/52" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -50.386, "beta": 149.483, "gamma": 51.040, "delta": 106.817, "epsilon": -172.076, "zeta": -108.872, "epsilon_zeta": -63.204, "bb_type": "BI", "chi": -122.416, "glyco_bond": "anti", "C5prime_xyz": [ -3.025, 8.538, -1.655 ], "P_xyz": [ -0.818, 9.812, -2.233 ], "form": "B", "ssZp": 2.715, "Dp": 2.804, "splay_angle": 20.295, "splay_distance": 3.467, "splay_ratio": 0.176, "d22": null, "d64": null, "eta": 166.917, "theta": -166.407, "eta_prime": -173.448, "theta_prime": -173.785, "eta_base": -129.144, "theta_base": -144.327, "v0": -38.506, "v1": 29.480, "v2": -10.169, "v3": -11.757, "v4": 31.496, "amplitude": 37.547, "phase_angle": 105.714, "puckering": "O4'-endo", "sugar_class": "--", "bin": "23p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.002, "frame": { "rmsd": 0.002, "origin": [ -25.177, 50.020, -5.202 ], "x_axis": [ -0.369, -0.919, 0.137 ], "y_axis": [ 0.916, -0.384, -0.112 ], "z_axis": [ 0.156, 0.084, 0.984 ], "quaternion": [ 0.555, -0.088, 0.008, -0.827 ] } }, { "index": 66, "index_chain": 11, "chain_name": "Z", "nt_resnum": 52, "nt_name": "DC", "nt_code": "C", "nt_id": "///Z/52", "linked_nts": [ "///Z/51", null ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,canonical,non-pair-contact,helix-end,stem-end,phosphate", "alpha": -52.047, "beta": 165.996, "gamma": 50.180, "delta": 117.912, "epsilon": null, "zeta": null, "epsilon_zeta": null, "bb_type": "--", "chi": -127.790, "glyco_bond": "anti", "C5prime_xyz": [ -2.117, 8.771, -1.259 ], "P_xyz": [ 0.262, 9.827, -1.131 ], "form": "-", "ssZp": null, "Dp": null, "splay_angle": null, "splay_distance": null, "splay_ratio": null, "d22": null, "d64": null, "eta": null, "theta": null, "eta_prime": null, "theta_prime": null, "eta_base": null, "theta_base": null, "v0": -28.823, "v1": 27.221, "v2": -15.740, "v3": -0.455, "v4": 18.377, "amplitude": 28.977, "phase_angle": 122.901, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.063, "frame": { "rmsd": 0.003, "origin": [ -25.193, 50.739, -1.811 ], "x_axis": [ 0.121, -0.992, -0.036 ], "y_axis": [ 0.985, 0.124, -0.118 ], "z_axis": [ 0.121, -0.021, 0.992 ], "quaternion": [ 0.748, -0.032, 0.053, -0.661 ] } } ], "num_hbonds": 932, "hbonds": [ { "index": 1, "atom1_serNum": 1, "atom2_serNum": 2064, "donAcc_type": "standard", "distance": 2.420, "atom1_id": "///A/1/N", "atom2_id": "///A/256/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 2, "atom1_serNum": 4, "atom2_serNum": 228, "donAcc_type": "questionable", "distance": 3.169, "atom1_id": "///A/1/O", "atom2_id": "///A/30/OD2", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 3, "atom1_serNum": 9, "atom2_serNum": 2044, "donAcc_type": "standard", "distance": 2.904, "atom1_id": "///A/2/N", "atom2_id": "///A/254/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 4, "atom1_serNum": 12, "atom2_serNum": 2041, "donAcc_type": "standard", "distance": 2.902, "atom1_id": "///A/2/O", "atom2_id": "///A/254/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 5, "atom1_serNum": 17, "atom2_serNum": 228, "donAcc_type": "standard", "distance": 3.457, "atom1_id": "///A/3/N", "atom2_id": "///A/30/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 6, "atom1_serNum": 20, "atom2_serNum": 221, "donAcc_type": "standard", "distance": 3.080, "atom1_id": "///A/3/O", "atom2_id": "///A/30/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 7, "atom1_serNum": 20, "atom2_serNum": 229, "donAcc_type": "standard", "distance": 3.365, "atom1_id": "///A/3/O", "atom2_id": "///A/31/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 8, "atom1_serNum": 25, "atom2_serNum": 209, "donAcc_type": "standard", "distance": 2.498, "atom1_id": "///A/3/NZ", "atom2_id": "///A/27/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 9, "atom1_serNum": 26, "atom2_serNum": 2028, "donAcc_type": "standard", "distance": 2.922, "atom1_id": "///A/4/N", "atom2_id": "///A/252/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 10, "atom1_serNum": 29, "atom2_serNum": 1810, "donAcc_type": "standard", "distance": 3.113, "atom1_id": "///A/4/O", "atom2_id": "///A/223/NE2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 11, "atom1_serNum": 29, "atom2_serNum": 2025, "donAcc_type": "standard", "distance": 2.895, "atom1_id": "///A/4/O", "atom2_id": "///A/252/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 12, "atom1_serNum": 34, "atom2_serNum": 232, "donAcc_type": "standard", "distance": 3.083, "atom1_id": "///A/5/N", "atom2_id": "///A/31/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 13, "atom1_serNum": 37, "atom2_serNum": 244, "donAcc_type": "standard", "distance": 2.875, "atom1_id": "///A/5/O", "atom2_id": "///A/33/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 14, "atom1_serNum": 42, "atom2_serNum": 2013, "donAcc_type": "standard", "distance": 2.864, "atom1_id": "///A/6/N", "atom2_id": "///A/250/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 15, "atom1_serNum": 45, "atom2_serNum": 2010, "donAcc_type": "standard", "distance": 2.797, "atom1_id": "///A/6/O", "atom2_id": "///A/250/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 16, "atom1_serNum": 47, "atom2_serNum": 264, "donAcc_type": "acceptable", "distance": 3.666, "atom1_id": "///A/6/OG", "atom2_id": "///A/35/OE1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 17, "atom1_serNum": 48, "atom2_serNum": 247, "donAcc_type": "standard", "distance": 2.966, "atom1_id": "///A/7/N", "atom2_id": "///A/33/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 18, "atom1_serNum": 51, "atom2_serNum": 257, "donAcc_type": "standard", "distance": 3.186, "atom1_id": "///A/7/O", "atom2_id": "///A/35/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 19, "atom1_serNum": 56, "atom2_serNum": 1979, "donAcc_type": "acceptable", "distance": 2.809, "atom1_id": "///A/8/O", "atom2_id": "///A/245/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 20, "atom1_serNum": 59, "atom2_serNum": 68, "donAcc_type": "standard", "distance": 3.201, "atom1_id": "///A/8/OD1", "atom2_id": "///A/10/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 21, "atom1_serNum": 60, "atom2_serNum": 273, "donAcc_type": "standard", "distance": 3.094, "atom1_id": "///A/8/ND2", "atom2_id": "///A/36/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 22, "atom1_serNum": 60, "atom2_serNum": 1172, "donAcc_type": "standard", "distance": 3.160, "atom1_id": "///A/8/ND2", "atom2_id": "///A/149/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 23, "atom1_serNum": 61, "atom2_serNum": 260, "donAcc_type": "standard", "distance": 3.296, "atom1_id": "///A/9/N", "atom2_id": "///A/35/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 24, "atom1_serNum": 76, "atom2_serNum": 269, "donAcc_type": "standard", "distance": 2.943, "atom1_id": "///A/11/N", "atom2_id": "///A/36/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 25, "atom1_serNum": 79, "atom2_serNum": 105, "donAcc_type": "standard", "distance": 3.098, "atom1_id": "///A/11/O", "atom2_id": "///A/15/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 26, "atom1_serNum": 80, "atom2_serNum": 278, "donAcc_type": "standard", "distance": 2.945, "atom1_id": "///A/12/N", "atom2_id": "///A/37/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 27, "atom1_serNum": 83, "atom2_serNum": 110, "donAcc_type": "standard", "distance": 2.895, "atom1_id": "///A/12/O", "atom2_id": "///A/16/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 28, "atom1_serNum": 91, "atom2_serNum": 122, "donAcc_type": "standard", "distance": 2.938, "atom1_id": "///A/13/O", "atom2_id": "///A/17/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 29, "atom1_serNum": 97, "atom2_serNum": 327, "donAcc_type": "standard", "distance": 3.870, "atom1_id": "///A/13/NH1", "atom2_id": "///A/43/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 30, "atom1_serNum": 98, "atom2_serNum": 286, "donAcc_type": "standard", "distance": 3.669, "atom1_id": "///A/13/NH2", "atom2_id": "///A/38/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 31, "atom1_serNum": 98, "atom2_serNum": 6674, "donAcc_type": "standard", "distance": 3.378, "atom1_id": "///A/13/NH2", "atom2_id": "///V/51/O5'", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 32, "atom1_serNum": 98, "atom2_serNum": 6679, "donAcc_type": "standard", "distance": 3.240, "atom1_id": "///A/13/NH2", "atom2_id": "///V/51/O3'", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 33, "atom1_serNum": 99, "atom2_serNum": 6672, "donAcc_type": "standard", "distance": 3.423, "atom1_id": "///A/14/N", "atom2_id": "///V/51/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 34, "atom1_serNum": 102, "atom2_serNum": 131, "donAcc_type": "standard", "distance": 2.931, "atom1_id": "///A/14/O", "atom2_id": "///A/18/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 35, "atom1_serNum": 104, "atom2_serNum": 139, "donAcc_type": "acceptable", "distance": 2.236, "atom1_id": "///A/14/OG", "atom2_id": "///A/18/NZ", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 36, "atom1_serNum": 108, "atom2_serNum": 131, "donAcc_type": "standard", "distance": 2.998, "atom1_id": "///A/15/O", "atom2_id": "///A/18/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 37, "atom1_serNum": 108, "atom2_serNum": 140, "donAcc_type": "standard", "distance": 3.063, "atom1_id": "///A/15/O", "atom2_id": "///A/19/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 38, "atom1_serNum": 108, "atom2_serNum": 144, "donAcc_type": "standard", "distance": 2.922, "atom1_id": "///A/15/O", "atom2_id": "///A/20/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 39, "atom1_serNum": 121, "atom2_serNum": 350, "donAcc_type": "acceptable", "distance": 2.766, "atom1_id": "///A/16/OH", "atom2_id": "///A/47/O", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 40, "atom1_serNum": 139, "atom2_serNum": 6651, "donAcc_type": "standard", "distance": 2.475, "atom1_id": "///A/18/NZ", "atom2_id": "///V/50/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 41, "atom1_serNum": 143, "atom2_serNum": 176, "donAcc_type": "standard", "distance": 3.344, "atom1_id": "///A/19/O", "atom2_id": "///A/23/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 42, "atom1_serNum": 147, "atom2_serNum": 188, "donAcc_type": "standard", "distance": 2.917, "atom1_id": "///A/20/O", "atom2_id": "///A/24/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 43, "atom1_serNum": 158, "atom2_serNum": 196, "donAcc_type": "standard", "distance": 3.767, "atom1_id": "///A/21/O", "atom2_id": "///A/25/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 44, "atom1_serNum": 158, "atom2_serNum": 396, "donAcc_type": "standard", "distance": 2.638, "atom1_id": "///A/21/O", "atom2_id": "///A/52/NE2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 45, "atom1_serNum": 167, "atom2_serNum": 174, "donAcc_type": "standard", "distance": 2.571, "atom1_id": "///A/22/N", "atom2_id": "///A/22/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 46, "atom1_serNum": 170, "atom2_serNum": 201, "donAcc_type": "standard", "distance": 2.913, "atom1_id": "///A/22/O", "atom2_id": "///A/26/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 47, "atom1_serNum": 179, "atom2_serNum": 206, "donAcc_type": "standard", "distance": 2.828, "atom1_id": "///A/23/O", "atom2_id": "///A/27/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 48, "atom1_serNum": 179, "atom2_serNum": 211, "donAcc_type": "acceptable", "distance": 3.170, "atom1_id": "///A/23/O", "atom2_id": "///A/27/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 49, "atom1_serNum": 199, "atom2_serNum": 212, "donAcc_type": "standard", "distance": 3.223, "atom1_id": "///A/25/O", "atom2_id": "///A/28/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 50, "atom1_serNum": 211, "atom2_serNum": 216, "donAcc_type": "acceptable", "distance": 3.234, "atom1_id": "///A/27/OG", "atom2_id": "///A/29/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 51, "atom1_serNum": 224, "atom2_serNum": 560, "donAcc_type": "standard", "distance": 2.926, "atom1_id": "///A/30/O", "atom2_id": "///A/74/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 52, "atom1_serNum": 237, "atom2_serNum": 545, "donAcc_type": "standard", "distance": 2.895, "atom1_id": "///A/32/N", "atom2_id": "///A/72/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 53, "atom1_serNum": 240, "atom2_serNum": 542, "donAcc_type": "standard", "distance": 2.892, "atom1_id": "///A/32/O", "atom2_id": "///A/72/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 54, "atom1_serNum": 250, "atom2_serNum": 533, "donAcc_type": "standard", "distance": 2.914, "atom1_id": "///A/34/N", "atom2_id": "///A/70/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 55, "atom1_serNum": 253, "atom2_serNum": 530, "donAcc_type": "standard", "distance": 2.899, "atom1_id": "///A/34/O", "atom2_id": "///A/70/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 56, "atom1_serNum": 253, "atom2_serNum": 835, "donAcc_type": "acceptable", "distance": 2.723, "atom1_id": "///A/34/O", "atom2_id": "///A/107/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 57, "atom1_serNum": 265, "atom2_serNum": 835, "donAcc_type": "acceptable", "distance": 2.896, "atom1_id": "///A/35/NE2", "atom2_id": "///A/107/OG", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 58, "atom1_serNum": 266, "atom2_serNum": 522, "donAcc_type": "standard", "distance": 2.677, "atom1_id": "///A/36/N", "atom2_id": "///A/68/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 59, "atom1_serNum": 274, "atom2_serNum": 291, "donAcc_type": "standard", "distance": 3.175, "atom1_id": "///A/36/OE2", "atom2_id": "///A/38/NZ", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 60, "atom1_serNum": 275, "atom2_serNum": 522, "donAcc_type": "standard", "distance": 2.776, "atom1_id": "///A/37/N", "atom2_id": "///A/68/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 61, "atom1_serNum": 283, "atom2_serNum": 516, "donAcc_type": "standard", "distance": 2.861, "atom1_id": "///A/38/N", "atom2_id": "///A/67/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 62, "atom1_serNum": 297, "atom2_serNum": 327, "donAcc_type": "standard", "distance": 3.218, "atom1_id": "///A/40/N", "atom2_id": "///A/43/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 63, "atom1_serNum": 300, "atom2_serNum": 320, "donAcc_type": "standard", "distance": 3.040, "atom1_id": "///A/40/O", "atom2_id": "///A/43/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 64, "atom1_serNum": 300, "atom2_serNum": 328, "donAcc_type": "standard", "distance": 3.278, "atom1_id": "///A/40/O", "atom2_id": "///A/44/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 65, "atom1_serNum": 305, "atom2_serNum": 466, "donAcc_type": "standard", "distance": 3.683, "atom1_id": "///A/40/NE2", "atom2_id": "///A/61/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 66, "atom1_serNum": 305, "atom2_serNum": 471, "donAcc_type": "standard", "distance": 2.643, "atom1_id": "///A/40/NE2", "atom2_id": "///A/62/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 67, "atom1_serNum": 309, "atom2_serNum": 371, "donAcc_type": "standard", "distance": 3.787, "atom1_id": "///A/41/O", "atom2_id": "///A/49/NZ", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 68, "atom1_serNum": 313, "atom2_serNum": 441, "donAcc_type": "standard", "distance": 2.328, "atom1_id": "///A/41/OE1", "atom2_id": "///A/58/NE1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 69, "atom1_serNum": 345, "atom2_serNum": 372, "donAcc_type": "standard", "distance": 3.121, "atom1_id": "///A/46/O", "atom2_id": "///A/50/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 70, "atom1_serNum": 353, "atom2_serNum": 3671, "donAcc_type": "acceptable", "distance": 2.795, "atom1_id": "///A/47/OD1", "atom2_id": "///B/196/OH", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 71, "atom1_serNum": 358, "atom2_serNum": 553, "donAcc_type": "acceptable", "distance": 2.879, "atom1_id": "///A/48/O", "atom2_id": "///A/72/OH", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 72, "atom1_serNum": 375, "atom2_serNum": 397, "donAcc_type": "standard", "distance": 3.320, "atom1_id": "///A/50/O", "atom2_id": "///A/53/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 73, "atom1_serNum": 378, "atom2_serNum": 3679, "donAcc_type": "standard", "distance": 2.959, "atom1_id": "///A/50/OD1", "atom2_id": "///B/198/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 74, "atom1_serNum": 378, "atom2_serNum": 3687, "donAcc_type": "standard", "distance": 3.412, "atom1_id": "///A/50/OD1", "atom2_id": "///B/199/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 75, "atom1_serNum": 379, "atom2_serNum": 404, "donAcc_type": "standard", "distance": 2.958, "atom1_id": "///A/50/ND2", "atom2_id": "///A/54/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 76, "atom1_serNum": 379, "atom2_serNum": 3686, "donAcc_type": "standard", "distance": 3.887, "atom1_id": "///A/50/ND2", "atom2_id": "///B/198/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 77, "atom1_serNum": 383, "atom2_serNum": 401, "donAcc_type": "standard", "distance": 2.961, "atom1_id": "///A/51/O", "atom2_id": "///A/54/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 78, "atom1_serNum": 409, "atom2_serNum": 557, "donAcc_type": "standard", "distance": 2.866, "atom1_id": "///A/55/N", "atom2_id": "///A/73/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 79, "atom1_serNum": 412, "atom2_serNum": 554, "donAcc_type": "standard", "distance": 2.905, "atom1_id": "///A/55/O", "atom2_id": "///A/73/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 80, "atom1_serNum": 415, "atom2_serNum": 3686, "donAcc_type": "acceptable", "distance": 3.025, "atom1_id": "///A/55/ND1", "atom2_id": "///B/198/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 81, "atom1_serNum": 419, "atom2_serNum": 3686, "donAcc_type": "standard", "distance": 3.393, "atom1_id": "///A/56/N", "atom2_id": "///B/198/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 82, "atom1_serNum": 423, "atom2_serNum": 538, "donAcc_type": "standard", "distance": 2.931, "atom1_id": "///A/57/N", "atom2_id": "///A/71/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 83, "atom1_serNum": 426, "atom2_serNum": 535, "donAcc_type": "standard", "distance": 2.890, "atom1_id": "///A/57/O", "atom2_id": "///A/71/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 84, "atom1_serNum": 447, "atom2_serNum": 526, "donAcc_type": "standard", "distance": 3.003, "atom1_id": "///A/59/N", "atom2_id": "///A/69/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 85, "atom1_serNum": 450, "atom2_serNum": 523, "donAcc_type": "standard", "distance": 3.349, "atom1_id": "///A/59/O", "atom2_id": "///A/69/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 86, "atom1_serNum": 453, "atom2_serNum": 735, "donAcc_type": "acceptable", "distance": 3.264, "atom1_id": "///A/59/ND1", "atom2_id": "///A/95/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 87, "atom1_serNum": 456, "atom2_serNum": 692, "donAcc_type": "standard", "distance": 3.088, "atom1_id": "///A/59/NE2", "atom2_id": "///A/90/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 88, "atom1_serNum": 468, "atom2_serNum": 700, "donAcc_type": "standard", "distance": 3.265, "atom1_id": "///A/62/N", "atom2_id": "///A/91/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 89, "atom1_serNum": 512, "atom2_serNum": 715, "donAcc_type": "acceptable", "distance": 3.370, "atom1_id": "///A/66/OH", "atom2_id": "///A/92/OE1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 90, "atom1_serNum": 512, "atom2_serNum": 731, "donAcc_type": "acceptable", "distance": 2.797, "atom1_id": "///A/66/OH", "atom2_id": "///A/94/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 91, "atom1_serNum": 512, "atom2_serNum": 926, "donAcc_type": "acceptable", "distance": 3.143, "atom1_id": "///A/66/OH", "atom2_id": "///A/119/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 92, "atom1_serNum": 512, "atom2_serNum": 6354, "donAcc_type": "acceptable", "distance": 2.996, "atom1_id": "///A/66/OH", "atom2_id": "///U/35/OP1", "atom_pair": "O:O", "residue_pair": "aa:nt" }, { "index": 93, "atom1_serNum": 518, "atom2_serNum": 711, "donAcc_type": "acceptable", "distance": 2.753, "atom1_id": "///A/67/OG", "atom2_id": "///A/92/O", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 94, "atom1_serNum": 518, "atom2_serNum": 720, "donAcc_type": "acceptable", "distance": 2.834, "atom1_id": "///A/67/OG", "atom2_id": "///A/93/O", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 95, "atom1_serNum": 519, "atom2_serNum": 720, "donAcc_type": "standard", "distance": 3.104, "atom1_id": "///A/68/N", "atom2_id": "///A/93/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 96, "atom1_serNum": 557, "atom2_serNum": 559, "donAcc_type": "acceptable", "distance": 3.007, "atom1_id": "///A/73/O", "atom2_id": "///A/73/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 97, "atom1_serNum": 559, "atom2_serNum": 572, "donAcc_type": "acceptable", "distance": 2.675, "atom1_id": "///A/73/OG", "atom2_id": "///A/75/O", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 98, "atom1_serNum": 596, "atom2_serNum": 770, "donAcc_type": "standard", "distance": 2.830, "atom1_id": "///A/78/N", "atom2_id": "///A/99/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 99, "atom1_serNum": 603, "atom2_serNum": 786, "donAcc_type": "standard", "distance": 2.710, "atom1_id": "///A/78/OD2", "atom2_id": "///A/101/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 100, "atom1_serNum": 604, "atom2_serNum": 770, "donAcc_type": "standard", "distance": 2.976, "atom1_id": "///A/79/N", "atom2_id": "///A/99/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 101, "atom1_serNum": 607, "atom2_serNum": 767, "donAcc_type": "standard", "distance": 2.879, "atom1_id": "///A/79/O", "atom2_id": "///A/99/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 102, "atom1_serNum": 619, "atom2_serNum": 753, "donAcc_type": "standard", "distance": 2.880, "atom1_id": "///A/81/N", "atom2_id": "///A/97/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 103, "atom1_serNum": 622, "atom2_serNum": 750, "donAcc_type": "standard", "distance": 2.939, "atom1_id": "///A/81/O", "atom2_id": "///A/97/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 104, "atom1_serNum": 627, "atom2_serNum": 639, "donAcc_type": "standard", "distance": 3.187, "atom1_id": "///A/81/NE2", "atom2_id": "///A/83/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 105, "atom1_serNum": 636, "atom2_serNum": 735, "donAcc_type": "standard", "distance": 3.223, "atom1_id": "///A/83/N", "atom2_id": "///A/95/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 106, "atom1_serNum": 640, "atom2_serNum": 695, "donAcc_type": "standard", "distance": 2.809, "atom1_id": "///A/84/N", "atom2_id": "///A/90/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 107, "atom1_serNum": 648, "atom2_serNum": 696, "donAcc_type": "standard", "distance": 2.748, "atom1_id": "///A/85/N", "atom2_id": "///A/90/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 108, "atom1_serNum": 652, "atom2_serNum": 696, "donAcc_type": "standard", "distance": 2.678, "atom1_id": "///A/86/N", "atom2_id": "///A/90/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 109, "atom1_serNum": 655, "atom2_serNum": 689, "donAcc_type": "standard", "distance": 2.862, "atom1_id": "///A/86/O", "atom2_id": "///A/90/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 110, "atom1_serNum": 663, "atom2_serNum": 697, "donAcc_type": "standard", "distance": 2.955, "atom1_id": "///A/87/O", "atom2_id": "///A/91/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 111, "atom1_serNum": 667, "atom2_serNum": 6144, "donAcc_type": "standard", "distance": 3.226, "atom1_id": "///A/87/OE1", "atom2_id": "///C/243/NZ", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 112, "atom1_serNum": 668, "atom2_serNum": 6144, "donAcc_type": "standard", "distance": 2.484, "atom1_id": "///A/87/OE2", "atom2_id": "///C/243/NZ", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 113, "atom1_serNum": 677, "atom2_serNum": 980, "donAcc_type": "standard", "distance": 2.754, "atom1_id": "///A/88/OE2", "atom2_id": "///A/125/NE", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 114, "atom1_serNum": 681, "atom2_serNum": 708, "donAcc_type": "standard", "distance": 3.138, "atom1_id": "///A/89/O", "atom2_id": "///A/92/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 115, "atom1_serNum": 681, "atom2_serNum": 717, "donAcc_type": "standard", "distance": 3.425, "atom1_id": "///A/89/O", "atom2_id": "///A/93/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 116, "atom1_serNum": 715, "atom2_serNum": 728, "donAcc_type": "standard", "distance": 2.931, "atom1_id": "///A/92/OE1", "atom2_id": "///A/94/NE", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 117, "atom1_serNum": 715, "atom2_serNum": 731, "donAcc_type": "standard", "distance": 3.065, "atom1_id": "///A/92/OE1", "atom2_id": "///A/94/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 118, "atom1_serNum": 715, "atom2_serNum": 926, "donAcc_type": "standard", "distance": 3.423, "atom1_id": "///A/92/OE1", "atom2_id": "///A/119/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 119, "atom1_serNum": 716, "atom2_serNum": 925, "donAcc_type": "standard", "distance": 3.788, "atom1_id": "///A/92/OE2", "atom2_id": "///A/119/NH1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 120, "atom1_serNum": 724, "atom2_serNum": 844, "donAcc_type": "standard", "distance": 3.127, "atom1_id": "///A/94/O", "atom2_id": "///A/109/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 121, "atom1_serNum": 730, "atom2_serNum": 847, "donAcc_type": "standard", "distance": 2.991, "atom1_id": "///A/94/NH1", "atom2_id": "///A/109/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 122, "atom1_serNum": 743, "atom2_serNum": 833, "donAcc_type": "standard", "distance": 2.966, "atom1_id": "///A/96/N", "atom2_id": "///A/107/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 123, "atom1_serNum": 746, "atom2_serNum": 830, "donAcc_type": "standard", "distance": 2.926, "atom1_id": "///A/96/O", "atom2_id": "///A/107/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 124, "atom1_serNum": 757, "atom2_serNum": 773, "donAcc_type": "standard", "distance": 3.061, "atom1_id": "///A/97/NE", "atom2_id": "///A/99/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 125, "atom1_serNum": 757, "atom2_serNum": 814, "donAcc_type": "acceptable", "distance": 2.911, "atom1_id": "///A/97/NE", "atom2_id": "///A/104/OG", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 126, "atom1_serNum": 759, "atom2_serNum": 1109, "donAcc_type": "standard", "distance": 3.356, "atom1_id": "///A/97/NH1", "atom2_id": "///A/140/OE2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 127, "atom1_serNum": 760, "atom2_serNum": 1108, "donAcc_type": "standard", "distance": 2.770, "atom1_id": "///A/97/NH2", "atom2_id": "///A/140/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 128, "atom1_serNum": 761, "atom2_serNum": 818, "donAcc_type": "standard", "distance": 2.892, "atom1_id": "///A/98/N", "atom2_id": "///A/105/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 129, "atom1_serNum": 764, "atom2_serNum": 815, "donAcc_type": "standard", "distance": 2.929, "atom1_id": "///A/98/O", "atom2_id": "///A/105/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 130, "atom1_serNum": 773, "atom2_serNum": 814, "donAcc_type": "acceptable", "distance": 2.766, "atom1_id": "///A/99/OD1", "atom2_id": "///A/104/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 131, "atom1_serNum": 775, "atom2_serNum": 804, "donAcc_type": "standard", "distance": 2.970, "atom1_id": "///A/100/N", "atom2_id": "///A/103/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 132, "atom1_serNum": 789, "atom2_serNum": 1123, "donAcc_type": "standard", "distance": 2.649, "atom1_id": "///A/101/O", "atom2_id": "///A/142/NH1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 133, "atom1_serNum": 789, "atom2_serNum": 1124, "donAcc_type": "standard", "distance": 3.003, "atom1_id": "///A/101/O", "atom2_id": "///A/142/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 134, "atom1_serNum": 793, "atom2_serNum": 1125, "donAcc_type": "standard", "distance": 3.270, "atom1_id": "///A/102/O", "atom2_id": "///A/143/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 135, "atom1_serNum": 799, "atom2_serNum": 1113, "donAcc_type": "standard", "distance": 2.910, "atom1_id": "///A/102/NH1", "atom2_id": "///A/141/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 136, "atom1_serNum": 809, "atom2_serNum": 1128, "donAcc_type": "standard", "distance": 2.895, "atom1_id": "///A/104/N", "atom2_id": "///A/143/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 137, "atom1_serNum": 812, "atom2_serNum": 1141, "donAcc_type": "standard", "distance": 2.920, "atom1_id": "///A/104/O", "atom2_id": "///A/145/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 138, "atom1_serNum": 822, "atom2_serNum": 1144, "donAcc_type": "standard", "distance": 2.910, "atom1_id": "///A/106/N", "atom2_id": "///A/145/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 139, "atom1_serNum": 825, "atom2_serNum": 1155, "donAcc_type": "standard", "distance": 2.887, "atom1_id": "///A/106/O", "atom2_id": "///A/147/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 140, "atom1_serNum": 825, "atom2_serNum": 1158, "donAcc_type": "questionable", "distance": 2.872, "atom1_id": "///A/106/O", "atom2_id": "///A/147/O", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 141, "atom1_serNum": 836, "atom2_serNum": 1158, "donAcc_type": "standard", "distance": 2.945, "atom1_id": "///A/108/N", "atom2_id": "///A/147/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 142, "atom1_serNum": 839, "atom2_serNum": 1165, "donAcc_type": "standard", "distance": 2.933, "atom1_id": "///A/108/O", "atom2_id": "///A/149/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 143, "atom1_serNum": 855, "atom2_serNum": 6375, "donAcc_type": "acceptable", "distance": 2.713, "atom1_id": "///A/109/OH", "atom2_id": "///U/36/OP2", "atom_pair": "O:O", "residue_pair": "aa:nt" }, { "index": 144, "atom1_serNum": 856, "atom2_serNum": 1168, "donAcc_type": "standard", "distance": 2.807, "atom1_id": "///A/110/N", "atom2_id": "///A/149/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 145, "atom1_serNum": 859, "atom2_serNum": 1194, "donAcc_type": "standard", "distance": 2.614, "atom1_id": "///A/110/O", "atom2_id": "///A/151/ND2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 146, "atom1_serNum": 874, "atom2_serNum": 923, "donAcc_type": "standard", "distance": 3.892, "atom1_id": "///A/112/O", "atom2_id": "///A/119/NE", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 147, "atom1_serNum": 876, "atom2_serNum": 881, "donAcc_type": "acceptable", "distance": 3.367, "atom1_id": "///A/112/OG", "atom2_id": "///A/114/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 148, "atom1_serNum": 880, "atom2_serNum": 934, "donAcc_type": "questionable", "distance": 2.839, "atom1_id": "///A/113/O", "atom2_id": "///A/120/OE1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 149, "atom1_serNum": 886, "atom2_serNum": 6385, "donAcc_type": "acceptable", "distance": 3.179, "atom1_id": "///A/114/OG", "atom2_id": "///U/37/OP2", "atom_pair": "O:O", "residue_pair": "aa:nt" }, { "index": 150, "atom1_serNum": 892, "atom2_serNum": 6355, "donAcc_type": "acceptable", "distance": 2.913, "atom1_id": "///A/115/OG", "atom2_id": "///U/35/OP2", "atom_pair": "O:O", "residue_pair": "aa:nt" }, { "index": 151, "atom1_serNum": 896, "atom2_serNum": 927, "donAcc_type": "standard", "distance": 3.134, "atom1_id": "///A/116/O", "atom2_id": "///A/120/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 152, "atom1_serNum": 901, "atom2_serNum": 936, "donAcc_type": "standard", "distance": 2.983, "atom1_id": "///A/117/O", "atom2_id": "///A/121/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 153, "atom1_serNum": 906, "atom2_serNum": 944, "donAcc_type": "standard", "distance": 3.816, "atom1_id": "///A/117/OE2", "atom2_id": "///A/121/NE2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 154, "atom1_serNum": 910, "atom2_serNum": 945, "donAcc_type": "standard", "distance": 2.934, "atom1_id": "///A/118/O", "atom2_id": "///A/122/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 155, "atom1_serNum": 915, "atom2_serNum": 983, "donAcc_type": "standard", "distance": 3.266, "atom1_id": "///A/118/OE2", "atom2_id": "///A/125/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 156, "atom1_serNum": 919, "atom2_serNum": 952, "donAcc_type": "standard", "distance": 2.899, "atom1_id": "///A/119/O", "atom2_id": "///A/123/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 157, "atom1_serNum": 923, "atom2_serNum": 6355, "donAcc_type": "standard", "distance": 3.581, "atom1_id": "///A/119/NE", "atom2_id": "///U/35/OP2", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 158, "atom1_serNum": 926, "atom2_serNum": 6354, "donAcc_type": "standard", "distance": 3.575, "atom1_id": "///A/119/NH2", "atom2_id": "///U/35/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 159, "atom1_serNum": 930, "atom2_serNum": 961, "donAcc_type": "standard", "distance": 2.935, "atom1_id": "///A/120/O", "atom2_id": "///A/124/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 160, "atom1_serNum": 934, "atom2_serNum": 1342, "donAcc_type": "acceptable", "distance": 2.798, "atom1_id": "///A/120/OE1", "atom2_id": "///A/169/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 161, "atom1_serNum": 935, "atom2_serNum": 1390, "donAcc_type": "standard", "distance": 2.726, "atom1_id": "///A/120/NE2", "atom2_id": "///A/175/OE2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 162, "atom1_serNum": 939, "atom2_serNum": 973, "donAcc_type": "standard", "distance": 2.907, "atom1_id": "///A/121/O", "atom2_id": "///A/125/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 163, "atom1_serNum": 948, "atom2_serNum": 984, "donAcc_type": "standard", "distance": 2.938, "atom1_id": "///A/122/O", "atom2_id": "///A/126/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 164, "atom1_serNum": 955, "atom2_serNum": 995, "donAcc_type": "standard", "distance": 2.925, "atom1_id": "///A/123/O", "atom2_id": "///A/127/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 165, "atom1_serNum": 960, "atom2_serNum": 1190, "donAcc_type": "standard", "distance": 3.022, "atom1_id": "///A/123/NZ", "atom2_id": "///A/151/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 166, "atom1_serNum": 960, "atom2_serNum": 1342, "donAcc_type": "acceptable", "distance": 3.543, "atom1_id": "///A/123/NZ", "atom2_id": "///A/169/OG", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 167, "atom1_serNum": 964, "atom2_serNum": 1003, "donAcc_type": "standard", "distance": 2.894, "atom1_id": "///A/124/O", "atom2_id": "///A/128/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 168, "atom1_serNum": 976, "atom2_serNum": 1011, "donAcc_type": "standard", "distance": 2.926, "atom1_id": "///A/125/O", "atom2_id": "///A/129/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 169, "atom1_serNum": 987, "atom2_serNum": 1016, "donAcc_type": "standard", "distance": 2.886, "atom1_id": "///A/126/O", "atom2_id": "///A/130/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 170, "atom1_serNum": 998, "atom2_serNum": 1027, "donAcc_type": "standard", "distance": 2.890, "atom1_id": "///A/127/O", "atom2_id": "///A/131/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 171, "atom1_serNum": 1019, "atom2_serNum": 1054, "donAcc_type": "standard", "distance": 2.946, "atom1_id": "///A/130/O", "atom2_id": "///A/134/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 172, "atom1_serNum": 1030, "atom2_serNum": 1062, "donAcc_type": "standard", "distance": 3.211, "atom1_id": "///A/131/O", "atom2_id": "///A/135/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 173, "atom1_serNum": 1042, "atom2_serNum": 1071, "donAcc_type": "standard", "distance": 3.007, "atom1_id": "///A/132/O", "atom2_id": "///A/136/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 174, "atom1_serNum": 1049, "atom2_serNum": 1076, "donAcc_type": "standard", "distance": 3.321, "atom1_id": "///A/133/O", "atom2_id": "///A/137/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 175, "atom1_serNum": 1057, "atom2_serNum": 1084, "donAcc_type": "standard", "distance": 3.179, "atom1_id": "///A/134/O", "atom2_id": "///A/138/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 176, "atom1_serNum": 1057, "atom2_serNum": 1500, "donAcc_type": "standard", "distance": 3.354, "atom1_id": "///A/134/O", "atom2_id": "///A/188/NE1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 177, "atom1_serNum": 1065, "atom2_serNum": 1093, "donAcc_type": "standard", "distance": 3.189, "atom1_id": "///A/135/O", "atom2_id": "///A/139/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 178, "atom1_serNum": 1074, "atom2_serNum": 1101, "donAcc_type": "standard", "distance": 3.139, "atom1_id": "///A/136/O", "atom2_id": "///A/140/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 179, "atom1_serNum": 1117, "atom2_serNum": 1133, "donAcc_type": "standard", "distance": 3.352, "atom1_id": "///A/142/O", "atom2_id": "///A/144/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 180, "atom1_serNum": 1117, "atom2_serNum": 1831, "donAcc_type": "acceptable", "distance": 3.801, "atom1_id": "///A/142/O", "atom2_id": "///A/226/OG1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 181, "atom1_serNum": 1132, "atom2_serNum": 2072, "donAcc_type": "acceptable", "distance": 2.850, "atom1_id": "///A/143/OD2", "atom2_id": "///A/256/OH", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 182, "atom1_serNum": 1133, "atom2_serNum": 1831, "donAcc_type": "acceptable", "distance": 3.411, "atom1_id": "///A/144/N", "atom2_id": "///A/226/OG1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 183, "atom1_serNum": 1136, "atom2_serNum": 1826, "donAcc_type": "standard", "distance": 3.291, "atom1_id": "///A/144/O", "atom2_id": "///A/226/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 184, "atom1_serNum": 1148, "atom2_serNum": 1814, "donAcc_type": "standard", "distance": 2.895, "atom1_id": "///A/146/N", "atom2_id": "///A/224/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 185, "atom1_serNum": 1151, "atom2_serNum": 1811, "donAcc_type": "standard", "distance": 2.915, "atom1_id": "///A/146/O", "atom2_id": "///A/224/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 186, "atom1_serNum": 1161, "atom2_serNum": 1793, "donAcc_type": "standard", "distance": 2.943, "atom1_id": "///A/148/N", "atom2_id": "///A/222/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 187, "atom1_serNum": 1164, "atom2_serNum": 1790, "donAcc_type": "standard", "distance": 2.921, "atom1_id": "///A/148/O", "atom2_id": "///A/222/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 188, "atom1_serNum": 1171, "atom2_serNum": 1187, "donAcc_type": "standard", "distance": 2.905, "atom1_id": "///A/149/OD1", "atom2_id": "///A/151/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 189, "atom1_serNum": 1173, "atom2_serNum": 1777, "donAcc_type": "standard", "distance": 2.985, "atom1_id": "///A/150/N", "atom2_id": "///A/220/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 190, "atom1_serNum": 1194, "atom2_serNum": 6375, "donAcc_type": "standard", "distance": 3.869, "atom1_id": "///A/151/ND2", "atom2_id": "///U/36/OP2", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 191, "atom1_serNum": 1198, "atom2_serNum": 1801, "donAcc_type": "acceptable", "distance": 2.685, "atom1_id": "///A/152/O", "atom2_id": "///A/222/OH", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 192, "atom1_serNum": 1203, "atom2_serNum": 1346, "donAcc_type": "standard", "distance": 2.740, "atom1_id": "///A/153/N", "atom2_id": "///A/170/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 193, "atom1_serNum": 1208, "atom2_serNum": 1801, "donAcc_type": "acceptable", "distance": 3.281, "atom1_id": "///A/154/N", "atom2_id": "///A/222/OH", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 194, "atom1_serNum": 1211, "atom2_serNum": 1398, "donAcc_type": "standard", "distance": 3.113, "atom1_id": "///A/154/O", "atom2_id": "///A/176/NE", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 195, "atom1_serNum": 1218, "atom2_serNum": 1250, "donAcc_type": "standard", "distance": 2.713, "atom1_id": "///A/155/N", "atom2_id": "///A/158/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 196, "atom1_serNum": 1221, "atom2_serNum": 1243, "donAcc_type": "standard", "distance": 2.942, "atom1_id": "///A/155/O", "atom2_id": "///A/158/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 197, "atom1_serNum": 1227, "atom2_serNum": 1233, "donAcc_type": "standard", "distance": 2.823, "atom1_id": "///A/156/N", "atom2_id": "///A/156/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 198, "atom1_serNum": 1230, "atom2_serNum": 1254, "donAcc_type": "questionable", "distance": 3.032, "atom1_id": "///A/156/O", "atom2_id": "///A/159/O", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 199, "atom1_serNum": 1246, "atom2_serNum": 1763, "donAcc_type": "standard", "distance": 2.823, "atom1_id": "///A/158/O", "atom2_id": "///A/219/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 200, "atom1_serNum": 1249, "atom2_serNum": 1553, "donAcc_type": "standard", "distance": 2.637, "atom1_id": "///A/158/OD1", "atom2_id": "///A/193/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 201, "atom1_serNum": 1249, "atom2_serNum": 1770, "donAcc_type": "standard", "distance": 2.960, "atom1_id": "///A/158/OD1", "atom2_id": "///A/219/NE", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 202, "atom1_serNum": 1259, "atom2_serNum": 1748, "donAcc_type": "standard", "distance": 3.168, "atom1_id": "///A/160/N", "atom2_id": "///A/217/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 203, "atom1_serNum": 1267, "atom2_serNum": 1724, "donAcc_type": "standard", "distance": 3.783, "atom1_id": "///A/160/NZ", "atom2_id": "///A/214/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 204, "atom1_serNum": 1271, "atom2_serNum": 1310, "donAcc_type": "standard", "distance": 2.850, "atom1_id": "///A/161/O", "atom2_id": "///A/165/ND2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 205, "atom1_serNum": 1274, "atom2_serNum": 1310, "donAcc_type": "standard", "distance": 3.025, "atom1_id": "///A/161/OD1", "atom2_id": "///A/165/ND2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 206, "atom1_serNum": 1274, "atom2_serNum": 6404, "donAcc_type": "questionable", "distance": 2.645, "atom1_id": "///A/161/OD1", "atom2_id": "///U/38/OP2", "atom_pair": "O:O", "residue_pair": "aa:nt" }, { "index": 207, "atom1_serNum": 1279, "atom2_serNum": 1319, "donAcc_type": "standard", "distance": 3.510, "atom1_id": "///A/162/O", "atom2_id": "///A/166/NE2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 208, "atom1_serNum": 1302, "atom2_serNum": 1336, "donAcc_type": "standard", "distance": 3.235, "atom1_id": "///A/164/O", "atom2_id": "///A/168/ND2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 209, "atom1_serNum": 1309, "atom2_serNum": 1336, "donAcc_type": "standard", "distance": 3.168, "atom1_id": "///A/165/OD1", "atom2_id": "///A/168/ND2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 210, "atom1_serNum": 1310, "atom2_serNum": 6404, "donAcc_type": "standard", "distance": 2.764, "atom1_id": "///A/165/ND2", "atom2_id": "///U/38/OP2", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 211, "atom1_serNum": 1328, "atom2_serNum": 6503, "donAcc_type": "standard", "distance": 3.143, "atom1_id": "///A/167/NZ", "atom2_id": "///V/43/OP2", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 212, "atom1_serNum": 1332, "atom2_serNum": 1347, "donAcc_type": "standard", "distance": 3.394, "atom1_id": "///A/168/O", "atom2_id": "///A/171/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 213, "atom1_serNum": 1343, "atom2_serNum": 1389, "donAcc_type": "standard", "distance": 2.902, "atom1_id": "///A/170/N", "atom2_id": "///A/175/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 214, "atom1_serNum": 1347, "atom2_serNum": 1389, "donAcc_type": "standard", "distance": 3.234, "atom1_id": "///A/171/N", "atom2_id": "///A/175/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 215, "atom1_serNum": 1358, "atom2_serNum": 1389, "donAcc_type": "standard", "distance": 3.065, "atom1_id": "///A/172/N", "atom2_id": "///A/175/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 216, "atom1_serNum": 1361, "atom2_serNum": 1391, "donAcc_type": "standard", "distance": 2.909, "atom1_id": "///A/172/O", "atom2_id": "///A/176/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 217, "atom1_serNum": 1369, "atom2_serNum": 1402, "donAcc_type": "standard", "distance": 2.963, "atom1_id": "///A/173/O", "atom2_id": "///A/177/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 218, "atom1_serNum": 1376, "atom2_serNum": 1411, "donAcc_type": "standard", "distance": 2.937, "atom1_id": "///A/174/O", "atom2_id": "///A/178/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 219, "atom1_serNum": 1385, "atom2_serNum": 1411, "donAcc_type": "standard", "distance": 2.964, "atom1_id": "///A/175/O", "atom2_id": "///A/178/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 220, "atom1_serNum": 1385, "atom2_serNum": 1425, "donAcc_type": "standard", "distance": 2.942, "atom1_id": "///A/175/O", "atom2_id": "///A/179/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 221, "atom1_serNum": 1394, "atom2_serNum": 1433, "donAcc_type": "standard", "distance": 2.930, "atom1_id": "///A/176/O", "atom2_id": "///A/180/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 222, "atom1_serNum": 1405, "atom2_serNum": 1437, "donAcc_type": "standard", "distance": 2.900, "atom1_id": "///A/177/O", "atom2_id": "///A/181/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 223, "atom1_serNum": 1414, "atom2_serNum": 1446, "donAcc_type": "standard", "distance": 2.941, "atom1_id": "///A/178/O", "atom2_id": "///A/182/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 224, "atom1_serNum": 1428, "atom2_serNum": 1453, "donAcc_type": "standard", "distance": 2.898, "atom1_id": "///A/179/O", "atom2_id": "///A/183/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 225, "atom1_serNum": 1436, "atom2_serNum": 1461, "donAcc_type": "standard", "distance": 2.915, "atom1_id": "///A/180/O", "atom2_id": "///A/184/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 226, "atom1_serNum": 1440, "atom2_serNum": 1471, "donAcc_type": "standard", "distance": 2.900, "atom1_id": "///A/181/O", "atom2_id": "///A/185/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 227, "atom1_serNum": 1440, "atom2_serNum": 1480, "donAcc_type": "standard", "distance": 3.305, "atom1_id": "///A/181/O", "atom2_id": "///A/186/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 228, "atom1_serNum": 1449, "atom2_serNum": 1492, "donAcc_type": "standard", "distance": 3.350, "atom1_id": "///A/182/O", "atom2_id": "///A/188/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 229, "atom1_serNum": 1456, "atom2_serNum": 1488, "donAcc_type": "standard", "distance": 3.320, "atom1_id": "///A/183/O", "atom2_id": "///A/187/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 230, "atom1_serNum": 1456, "atom2_serNum": 1495, "donAcc_type": "questionable", "distance": 3.029, "atom1_id": "///A/183/O", "atom2_id": "///A/188/O", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 231, "atom1_serNum": 1506, "atom2_serNum": 1822, "donAcc_type": "standard", "distance": 2.874, "atom1_id": "///A/189/N", "atom2_id": "///A/225/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 232, "atom1_serNum": 1509, "atom2_serNum": 1521, "donAcc_type": "standard", "distance": 2.850, "atom1_id": "///A/189/O", "atom2_id": "///A/191/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 233, "atom1_serNum": 1509, "atom2_serNum": 1819, "donAcc_type": "standard", "distance": 3.085, "atom1_id": "///A/189/O", "atom2_id": "///A/225/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 234, "atom1_serNum": 1516, "atom2_serNum": 1543, "donAcc_type": "standard", "distance": 3.131, "atom1_id": "///A/190/O", "atom2_id": "///A/193/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 235, "atom1_serNum": 1516, "atom2_serNum": 1554, "donAcc_type": "standard", "distance": 3.033, "atom1_id": "///A/190/O", "atom2_id": "///A/194/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 236, "atom1_serNum": 1519, "atom2_serNum": 1772, "donAcc_type": "standard", "distance": 3.200, "atom1_id": "///A/190/OD1", "atom2_id": "///A/219/NH1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 237, "atom1_serNum": 1520, "atom2_serNum": 1773, "donAcc_type": "standard", "distance": 2.196, "atom1_id": "///A/190/OD2", "atom2_id": "///A/219/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 238, "atom1_serNum": 1521, "atom2_serNum": 1805, "donAcc_type": "standard", "distance": 3.582, "atom1_id": "///A/191/N", "atom2_id": "///A/223/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 239, "atom1_serNum": 1524, "atom2_serNum": 1561, "donAcc_type": "standard", "distance": 2.905, "atom1_id": "///A/191/O", "atom2_id": "///A/195/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 240, "atom1_serNum": 1532, "atom2_serNum": 1569, "donAcc_type": "standard", "distance": 2.767, "atom1_id": "///A/192/O", "atom2_id": "///A/196/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 241, "atom1_serNum": 1537, "atom2_serNum": 1599, "donAcc_type": "standard", "distance": 3.130, "atom1_id": "///A/192/NE1", "atom2_id": "///A/199/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 242, "atom1_serNum": 1552, "atom2_serNum": 1572, "donAcc_type": "standard", "distance": 2.564, "atom1_id": "///A/193/NH1", "atom2_id": "///A/196/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 243, "atom1_serNum": 1552, "atom2_serNum": 1599, "donAcc_type": "standard", "distance": 2.761, "atom1_id": "///A/193/NH1", "atom2_id": "///A/199/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 244, "atom1_serNum": 1553, "atom2_serNum": 1599, "donAcc_type": "standard", "distance": 3.190, "atom1_id": "///A/193/NH2", "atom2_id": "///A/199/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 245, "atom1_serNum": 1553, "atom2_serNum": 1606, "donAcc_type": "standard", "distance": 3.529, "atom1_id": "///A/193/NH2", "atom2_id": "///A/200/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 246, "atom1_serNum": 1580, "atom2_serNum": 1897, "donAcc_type": "acceptable", "distance": 3.213, "atom1_id": "///A/196/OH", "atom2_id": "///A/236/O", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 247, "atom1_serNum": 1626, "atom2_serNum": 1752, "donAcc_type": "standard", "distance": 2.631, "atom1_id": "///A/203/N", "atom2_id": "///A/218/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 248, "atom1_serNum": 1629, "atom2_serNum": 1998, "donAcc_type": "standard", "distance": 2.820, "atom1_id": "///A/203/O", "atom2_id": "///A/248/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 249, "atom1_serNum": 1631, "atom2_serNum": 1774, "donAcc_type": "acceptable", "distance": 3.256, "atom1_id": "///A/203/OG1", "atom2_id": "///A/220/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 250, "atom1_serNum": 1631, "atom2_serNum": 1782, "donAcc_type": "acceptable", "distance": 3.133, "atom1_id": "///A/203/OG1", "atom2_id": "///A/221/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 251, "atom1_serNum": 1631, "atom2_serNum": 1788, "donAcc_type": "acceptable", "distance": 2.591, "atom1_id": "///A/203/OG1", "atom2_id": "///A/221/OD1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 252, "atom1_serNum": 1633, "atom2_serNum": 1752, "donAcc_type": "standard", "distance": 2.952, "atom1_id": "///A/204/N", "atom2_id": "///A/218/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 253, "atom1_serNum": 1636, "atom2_serNum": 1749, "donAcc_type": "standard", "distance": 2.734, "atom1_id": "///A/204/O", "atom2_id": "///A/218/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 254, "atom1_serNum": 1641, "atom2_serNum": 1987, "donAcc_type": "standard", "distance": 3.004, "atom1_id": "///A/204/NE1", "atom2_id": "///A/246/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 255, "atom1_serNum": 1647, "atom2_serNum": 1983, "donAcc_type": "standard", "distance": 3.368, "atom1_id": "///A/205/N", "atom2_id": "///A/246/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 256, "atom1_serNum": 1655, "atom2_serNum": 1736, "donAcc_type": "standard", "distance": 3.059, "atom1_id": "///A/205/NE1", "atom2_id": "///A/215/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 257, "atom1_serNum": 1673, "atom2_serNum": 6605, "donAcc_type": "standard", "distance": 2.357, "atom1_id": "///A/207/OD1", "atom2_id": "///V/47/N2", "atom_pair": "O:N", "residue_pair": "aa:nt" }, { "index": 258, "atom1_serNum": 1674, "atom2_serNum": 6606, "donAcc_type": "standard", "distance": 3.094, "atom1_id": "///A/207/ND2", "atom2_id": "///V/47/N3", "atom_pair": "N:N", "residue_pair": "aa:nt" }, { "index": 259, "atom1_serNum": 1674, "atom2_serNum": 6614, "donAcc_type": "standard", "distance": 2.979, "atom1_id": "///A/207/ND2", "atom2_id": "///V/48/O4'", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 260, "atom1_serNum": 1678, "atom2_serNum": 1699, "donAcc_type": "standard", "distance": 3.051, "atom1_id": "///A/208/O", "atom2_id": "///A/211/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 261, "atom1_serNum": 1684, "atom2_serNum": 6389, "donAcc_type": "standard", "distance": 2.770, "atom1_id": "///A/208/NH1", "atom2_id": "///U/37/O4'", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 262, "atom1_serNum": 1690, "atom2_serNum": 6424, "donAcc_type": "standard", "distance": 2.851, "atom1_id": "///A/210/N", "atom2_id": "///U/39/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 263, "atom1_serNum": 1693, "atom2_serNum": 1721, "donAcc_type": "standard", "distance": 2.704, "atom1_id": "///A/210/O", "atom2_id": "///A/214/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 264, "atom1_serNum": 1702, "atom2_serNum": 1738, "donAcc_type": "standard", "distance": 2.709, "atom1_id": "///A/211/O", "atom2_id": "///A/216/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 265, "atom1_serNum": 1707, "atom2_serNum": 1730, "donAcc_type": "standard", "distance": 3.180, "atom1_id": "///A/212/O", "atom2_id": "///A/215/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 266, "atom1_serNum": 1729, "atom2_serNum": 6424, "donAcc_type": "standard", "distance": 2.939, "atom1_id": "///A/214/NZ", "atom2_id": "///U/39/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 267, "atom1_serNum": 1729, "atom2_serNum": 6425, "donAcc_type": "standard", "distance": 2.451, "atom1_id": "///A/214/NZ", "atom2_id": "///U/39/OP2", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 268, "atom1_serNum": 1733, "atom2_serNum": 1745, "donAcc_type": "standard", "distance": 3.279, "atom1_id": "///A/215/O", "atom2_id": "///A/217/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 269, "atom1_serNum": 1757, "atom2_serNum": 6403, "donAcc_type": "standard", "distance": 2.682, "atom1_id": "///A/218/NE1", "atom2_id": "///U/38/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 270, "atom1_serNum": 1766, "atom2_serNum": 1801, "donAcc_type": "acceptable", "distance": 3.472, "atom1_id": "///A/219/O", "atom2_id": "///A/222/OH", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 271, "atom1_serNum": 1788, "atom2_serNum": 1994, "donAcc_type": "acceptable", "distance": 3.007, "atom1_id": "///A/221/OD1", "atom2_id": "///A/247/ND1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 272, "atom1_serNum": 1805, "atom2_serNum": 1819, "donAcc_type": "standard", "distance": 3.294, "atom1_id": "///A/223/O", "atom2_id": "///A/225/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 273, "atom1_serNum": 1809, "atom2_serNum": 2052, "donAcc_type": "acceptable", "distance": 3.020, "atom1_id": "///A/223/OE1", "atom2_id": "///A/254/OH", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 274, "atom1_serNum": 1810, "atom2_serNum": 2013, "donAcc_type": "standard", "distance": 3.282, "atom1_id": "///A/223/NE2", "atom2_id": "///A/250/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 275, "atom1_serNum": 1829, "atom2_serNum": 1849, "donAcc_type": "standard", "distance": 3.119, "atom1_id": "///A/226/O", "atom2_id": "///A/229/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 276, "atom1_serNum": 1829, "atom2_serNum": 1857, "donAcc_type": "standard", "distance": 2.585, "atom1_id": "///A/226/O", "atom2_id": "///A/230/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 277, "atom1_serNum": 1836, "atom2_serNum": 1862, "donAcc_type": "standard", "distance": 2.914, "atom1_id": "///A/227/O", "atom2_id": "///A/231/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 278, "atom1_serNum": 1840, "atom2_serNum": 1847, "donAcc_type": "standard", "distance": 2.644, "atom1_id": "///A/228/N", "atom2_id": "///A/228/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 279, "atom1_serNum": 1852, "atom2_serNum": 1867, "donAcc_type": "standard", "distance": 2.825, "atom1_id": "///A/229/O", "atom2_id": "///A/232/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 280, "atom1_serNum": 1860, "atom2_serNum": 1876, "donAcc_type": "standard", "distance": 3.259, "atom1_id": "///A/230/O", "atom2_id": "///A/233/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 281, "atom1_serNum": 1870, "atom2_serNum": 2053, "donAcc_type": "standard", "distance": 2.823, "atom1_id": "///A/232/O", "atom2_id": "///A/255/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 282, "atom1_serNum": 1881, "atom2_serNum": 2035, "donAcc_type": "standard", "distance": 3.100, "atom1_id": "///A/234/N", "atom2_id": "///A/253/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 283, "atom1_serNum": 1891, "atom2_serNum": 2032, "donAcc_type": "standard", "distance": 2.907, "atom1_id": "///A/235/O", "atom2_id": "///A/253/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 284, "atom1_serNum": 1899, "atom2_serNum": 2021, "donAcc_type": "standard", "distance": 2.885, "atom1_id": "///A/237/N", "atom2_id": "///A/251/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 285, "atom1_serNum": 1902, "atom2_serNum": 2018, "donAcc_type": "standard", "distance": 2.906, "atom1_id": "///A/237/O", "atom2_id": "///A/251/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 286, "atom1_serNum": 1916, "atom2_serNum": 2006, "donAcc_type": "standard", "distance": 3.119, "atom1_id": "///A/239/N", "atom2_id": "///A/249/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 287, "atom1_serNum": 1927, "atom2_serNum": 1953, "donAcc_type": "acceptable", "distance": 3.216, "atom1_id": "///A/239/OH", "atom2_id": "///A/242/OE2", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 288, "atom1_serNum": 1962, "atom2_serNum": 1977, "donAcc_type": "standard", "distance": 2.444, "atom1_id": "///A/243/NZ", "atom2_id": "///A/245/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 289, "atom1_serNum": 1979, "atom2_serNum": 1986, "donAcc_type": "acceptable", "distance": 2.765, "atom1_id": "///A/245/OG", "atom2_id": "///A/246/OD1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 290, "atom1_serNum": 1979, "atom2_serNum": 1988, "donAcc_type": "acceptable", "distance": 2.842, "atom1_id": "///A/245/OG", "atom2_id": "///A/247/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 291, "atom1_serNum": 1980, "atom2_serNum": 1986, "donAcc_type": "standard", "distance": 2.577, "atom1_id": "///A/246/N", "atom2_id": "///A/246/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 292, "atom1_serNum": 2044, "atom2_serNum": 2061, "donAcc_type": "standard", "distance": 2.794, "atom1_id": "///A/254/O", "atom2_id": "///A/256/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 293, "atom1_serNum": 2092, "atom2_serNum": 4155, "donAcc_type": "standard", "distance": 2.778, "atom1_id": "///B/1/N", "atom2_id": "///B/256/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 294, "atom1_serNum": 2095, "atom2_serNum": 2319, "donAcc_type": "questionable", "distance": 3.066, "atom1_id": "///B/1/O", "atom2_id": "///B/30/OD2", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 295, "atom1_serNum": 2100, "atom2_serNum": 4135, "donAcc_type": "standard", "distance": 2.902, "atom1_id": "///B/2/N", "atom2_id": "///B/254/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 296, "atom1_serNum": 2103, "atom2_serNum": 4132, "donAcc_type": "standard", "distance": 2.896, "atom1_id": "///B/2/O", "atom2_id": "///B/254/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 297, "atom1_serNum": 2108, "atom2_serNum": 2319, "donAcc_type": "standard", "distance": 3.454, "atom1_id": "///B/3/N", "atom2_id": "///B/30/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 298, "atom1_serNum": 2111, "atom2_serNum": 2312, "donAcc_type": "standard", "distance": 3.218, "atom1_id": "///B/3/O", "atom2_id": "///B/30/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 299, "atom1_serNum": 2111, "atom2_serNum": 2320, "donAcc_type": "standard", "distance": 3.209, "atom1_id": "///B/3/O", "atom2_id": "///B/31/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 300, "atom1_serNum": 2116, "atom2_serNum": 2300, "donAcc_type": "standard", "distance": 3.665, "atom1_id": "///B/3/NZ", "atom2_id": "///B/27/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 301, "atom1_serNum": 2117, "atom2_serNum": 4119, "donAcc_type": "standard", "distance": 2.933, "atom1_id": "///B/4/N", "atom2_id": "///B/252/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 302, "atom1_serNum": 2120, "atom2_serNum": 3901, "donAcc_type": "standard", "distance": 2.971, "atom1_id": "///B/4/O", "atom2_id": "///B/223/NE2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 303, "atom1_serNum": 2120, "atom2_serNum": 4116, "donAcc_type": "standard", "distance": 2.917, "atom1_id": "///B/4/O", "atom2_id": "///B/252/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 304, "atom1_serNum": 2125, "atom2_serNum": 2323, "donAcc_type": "standard", "distance": 3.027, "atom1_id": "///B/5/N", "atom2_id": "///B/31/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 305, "atom1_serNum": 2128, "atom2_serNum": 2335, "donAcc_type": "standard", "distance": 2.801, "atom1_id": "///B/5/O", "atom2_id": "///B/33/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 306, "atom1_serNum": 2133, "atom2_serNum": 4104, "donAcc_type": "standard", "distance": 2.963, "atom1_id": "///B/6/N", "atom2_id": "///B/250/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 307, "atom1_serNum": 2136, "atom2_serNum": 4101, "donAcc_type": "standard", "distance": 2.890, "atom1_id": "///B/6/O", "atom2_id": "///B/250/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 308, "atom1_serNum": 2138, "atom2_serNum": 2355, "donAcc_type": "acceptable", "distance": 3.570, "atom1_id": "///B/6/OG", "atom2_id": "///B/35/OE1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 309, "atom1_serNum": 2139, "atom2_serNum": 2338, "donAcc_type": "standard", "distance": 2.954, "atom1_id": "///B/7/N", "atom2_id": "///B/33/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 310, "atom1_serNum": 2142, "atom2_serNum": 2348, "donAcc_type": "standard", "distance": 3.135, "atom1_id": "///B/7/O", "atom2_id": "///B/35/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 311, "atom1_serNum": 2147, "atom2_serNum": 4070, "donAcc_type": "acceptable", "distance": 2.757, "atom1_id": "///B/8/O", "atom2_id": "///B/245/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 312, "atom1_serNum": 2150, "atom2_serNum": 2159, "donAcc_type": "standard", "distance": 3.188, "atom1_id": "///B/8/OD1", "atom2_id": "///B/10/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 313, "atom1_serNum": 2151, "atom2_serNum": 2364, "donAcc_type": "standard", "distance": 2.988, "atom1_id": "///B/8/ND2", "atom2_id": "///B/36/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 314, "atom1_serNum": 2151, "atom2_serNum": 3263, "donAcc_type": "standard", "distance": 2.998, "atom1_id": "///B/8/ND2", "atom2_id": "///B/149/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 315, "atom1_serNum": 2152, "atom2_serNum": 2351, "donAcc_type": "standard", "distance": 3.162, "atom1_id": "///B/9/N", "atom2_id": "///B/35/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 316, "atom1_serNum": 2165, "atom2_serNum": 2382, "donAcc_type": "standard", "distance": 2.943, "atom1_id": "///B/10/OD1", "atom2_id": "///B/38/NZ", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 317, "atom1_serNum": 2167, "atom2_serNum": 2360, "donAcc_type": "standard", "distance": 2.799, "atom1_id": "///B/11/N", "atom2_id": "///B/36/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 318, "atom1_serNum": 2170, "atom2_serNum": 2196, "donAcc_type": "standard", "distance": 3.054, "atom1_id": "///B/11/O", "atom2_id": "///B/15/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 319, "atom1_serNum": 2171, "atom2_serNum": 2369, "donAcc_type": "standard", "distance": 2.935, "atom1_id": "///B/12/N", "atom2_id": "///B/37/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 320, "atom1_serNum": 2174, "atom2_serNum": 2201, "donAcc_type": "standard", "distance": 2.901, "atom1_id": "///B/12/O", "atom2_id": "///B/16/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 321, "atom1_serNum": 2182, "atom2_serNum": 2213, "donAcc_type": "standard", "distance": 2.902, "atom1_id": "///B/13/O", "atom2_id": "///B/17/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 322, "atom1_serNum": 2188, "atom2_serNum": 2418, "donAcc_type": "standard", "distance": 3.818, "atom1_id": "///B/13/NH1", "atom2_id": "///B/43/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 323, "atom1_serNum": 2189, "atom2_serNum": 2377, "donAcc_type": "standard", "distance": 3.704, "atom1_id": "///B/13/NH2", "atom2_id": "///B/38/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 324, "atom1_serNum": 2189, "atom2_serNum": 7134, "donAcc_type": "standard", "distance": 3.094, "atom1_id": "///B/13/NH2", "atom2_id": "///X/52/OP2", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 325, "atom1_serNum": 2190, "atom2_serNum": 7111, "donAcc_type": "standard", "distance": 3.380, "atom1_id": "///B/14/N", "atom2_id": "///X/51/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 326, "atom1_serNum": 2193, "atom2_serNum": 2222, "donAcc_type": "standard", "distance": 2.908, "atom1_id": "///B/14/O", "atom2_id": "///B/18/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 327, "atom1_serNum": 2195, "atom2_serNum": 2230, "donAcc_type": "acceptable", "distance": 3.147, "atom1_id": "///B/14/OG", "atom2_id": "///B/18/NZ", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 328, "atom1_serNum": 2195, "atom2_serNum": 7090, "donAcc_type": "acceptable", "distance": 3.154, "atom1_id": "///B/14/OG", "atom2_id": "///X/50/OP1", "atom_pair": "O:O", "residue_pair": "aa:nt" }, { "index": 329, "atom1_serNum": 2199, "atom2_serNum": 2222, "donAcc_type": "standard", "distance": 2.903, "atom1_id": "///B/15/O", "atom2_id": "///B/18/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 330, "atom1_serNum": 2199, "atom2_serNum": 2231, "donAcc_type": "standard", "distance": 3.015, "atom1_id": "///B/15/O", "atom2_id": "///B/19/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 331, "atom1_serNum": 2199, "atom2_serNum": 2235, "donAcc_type": "standard", "distance": 2.932, "atom1_id": "///B/15/O", "atom2_id": "///B/20/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 332, "atom1_serNum": 2212, "atom2_serNum": 2441, "donAcc_type": "acceptable", "distance": 2.678, "atom1_id": "///B/16/OH", "atom2_id": "///B/47/O", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 333, "atom1_serNum": 2230, "atom2_serNum": 7090, "donAcc_type": "standard", "distance": 3.258, "atom1_id": "///B/18/NZ", "atom2_id": "///X/50/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 334, "atom1_serNum": 2234, "atom2_serNum": 2267, "donAcc_type": "standard", "distance": 3.378, "atom1_id": "///B/19/O", "atom2_id": "///B/23/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 335, "atom1_serNum": 2238, "atom2_serNum": 2279, "donAcc_type": "standard", "distance": 2.920, "atom1_id": "///B/20/O", "atom2_id": "///B/24/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 336, "atom1_serNum": 2249, "atom2_serNum": 2287, "donAcc_type": "standard", "distance": 3.834, "atom1_id": "///B/21/O", "atom2_id": "///B/25/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 337, "atom1_serNum": 2249, "atom2_serNum": 2487, "donAcc_type": "standard", "distance": 2.526, "atom1_id": "///B/21/O", "atom2_id": "///B/52/NE2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 338, "atom1_serNum": 2258, "atom2_serNum": 2265, "donAcc_type": "standard", "distance": 2.679, "atom1_id": "///B/22/N", "atom2_id": "///B/22/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 339, "atom1_serNum": 2261, "atom2_serNum": 2292, "donAcc_type": "standard", "distance": 2.912, "atom1_id": "///B/22/O", "atom2_id": "///B/26/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 340, "atom1_serNum": 2270, "atom2_serNum": 2297, "donAcc_type": "standard", "distance": 2.804, "atom1_id": "///B/23/O", "atom2_id": "///B/27/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 341, "atom1_serNum": 2290, "atom2_serNum": 2303, "donAcc_type": "standard", "distance": 3.147, "atom1_id": "///B/25/O", "atom2_id": "///B/28/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 342, "atom1_serNum": 2302, "atom2_serNum": 2307, "donAcc_type": "acceptable", "distance": 3.224, "atom1_id": "///B/27/OG", "atom2_id": "///B/29/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 343, "atom1_serNum": 2315, "atom2_serNum": 2651, "donAcc_type": "standard", "distance": 2.902, "atom1_id": "///B/30/O", "atom2_id": "///B/74/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 344, "atom1_serNum": 2328, "atom2_serNum": 2636, "donAcc_type": "standard", "distance": 2.896, "atom1_id": "///B/32/N", "atom2_id": "///B/72/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 345, "atom1_serNum": 2331, "atom2_serNum": 2633, "donAcc_type": "standard", "distance": 2.887, "atom1_id": "///B/32/O", "atom2_id": "///B/72/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 346, "atom1_serNum": 2341, "atom2_serNum": 2624, "donAcc_type": "standard", "distance": 2.908, "atom1_id": "///B/34/N", "atom2_id": "///B/70/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 347, "atom1_serNum": 2344, "atom2_serNum": 2621, "donAcc_type": "standard", "distance": 2.917, "atom1_id": "///B/34/O", "atom2_id": "///B/70/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 348, "atom1_serNum": 2356, "atom2_serNum": 2926, "donAcc_type": "acceptable", "distance": 3.079, "atom1_id": "///B/35/NE2", "atom2_id": "///B/107/OG", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 349, "atom1_serNum": 2357, "atom2_serNum": 2613, "donAcc_type": "standard", "distance": 2.890, "atom1_id": "///B/36/N", "atom2_id": "///B/68/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 350, "atom1_serNum": 2366, "atom2_serNum": 2613, "donAcc_type": "standard", "distance": 2.817, "atom1_id": "///B/37/N", "atom2_id": "///B/68/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 351, "atom1_serNum": 2374, "atom2_serNum": 2607, "donAcc_type": "standard", "distance": 2.865, "atom1_id": "///B/38/N", "atom2_id": "///B/67/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 352, "atom1_serNum": 2388, "atom2_serNum": 2418, "donAcc_type": "standard", "distance": 3.206, "atom1_id": "///B/40/N", "atom2_id": "///B/43/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 353, "atom1_serNum": 2391, "atom2_serNum": 2411, "donAcc_type": "standard", "distance": 2.860, "atom1_id": "///B/40/O", "atom2_id": "///B/43/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 354, "atom1_serNum": 2391, "atom2_serNum": 2419, "donAcc_type": "standard", "distance": 3.104, "atom1_id": "///B/40/O", "atom2_id": "///B/44/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 355, "atom1_serNum": 2396, "atom2_serNum": 2557, "donAcc_type": "standard", "distance": 3.046, "atom1_id": "///B/40/NE2", "atom2_id": "///B/61/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 356, "atom1_serNum": 2396, "atom2_serNum": 2562, "donAcc_type": "standard", "distance": 2.488, "atom1_id": "///B/40/NE2", "atom2_id": "///B/62/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 357, "atom1_serNum": 2436, "atom2_serNum": 2463, "donAcc_type": "standard", "distance": 3.220, "atom1_id": "///B/46/O", "atom2_id": "///B/50/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 358, "atom1_serNum": 2449, "atom2_serNum": 2644, "donAcc_type": "acceptable", "distance": 2.909, "atom1_id": "///B/48/O", "atom2_id": "///B/72/OH", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 359, "atom1_serNum": 2466, "atom2_serNum": 2488, "donAcc_type": "standard", "distance": 3.494, "atom1_id": "///B/50/O", "atom2_id": "///B/53/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 360, "atom1_serNum": 2469, "atom2_serNum": 2495, "donAcc_type": "questionable", "distance": 3.117, "atom1_id": "///B/50/OD1", "atom2_id": "///B/54/O", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 361, "atom1_serNum": 2469, "atom2_serNum": 2510, "donAcc_type": "standard", "distance": 2.514, "atom1_id": "///B/50/OD1", "atom2_id": "///B/56/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 362, "atom1_serNum": 2474, "atom2_serNum": 2492, "donAcc_type": "standard", "distance": 2.932, "atom1_id": "///B/51/O", "atom2_id": "///B/54/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 363, "atom1_serNum": 2500, "atom2_serNum": 2648, "donAcc_type": "standard", "distance": 2.865, "atom1_id": "///B/55/N", "atom2_id": "///B/73/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 364, "atom1_serNum": 2503, "atom2_serNum": 2645, "donAcc_type": "standard", "distance": 2.895, "atom1_id": "///B/55/O", "atom2_id": "///B/73/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 365, "atom1_serNum": 2514, "atom2_serNum": 2629, "donAcc_type": "standard", "distance": 2.931, "atom1_id": "///B/57/N", "atom2_id": "///B/71/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 366, "atom1_serNum": 2517, "atom2_serNum": 2626, "donAcc_type": "standard", "distance": 2.894, "atom1_id": "///B/57/O", "atom2_id": "///B/71/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 367, "atom1_serNum": 2538, "atom2_serNum": 2617, "donAcc_type": "standard", "distance": 2.945, "atom1_id": "///B/59/N", "atom2_id": "///B/69/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 368, "atom1_serNum": 2541, "atom2_serNum": 2614, "donAcc_type": "standard", "distance": 3.272, "atom1_id": "///B/59/O", "atom2_id": "///B/69/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 369, "atom1_serNum": 2544, "atom2_serNum": 2826, "donAcc_type": "acceptable", "distance": 3.220, "atom1_id": "///B/59/ND1", "atom2_id": "///B/95/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 370, "atom1_serNum": 2547, "atom2_serNum": 2783, "donAcc_type": "standard", "distance": 3.115, "atom1_id": "///B/59/NE2", "atom2_id": "///B/90/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 371, "atom1_serNum": 2559, "atom2_serNum": 2791, "donAcc_type": "standard", "distance": 3.258, "atom1_id": "///B/62/N", "atom2_id": "///B/91/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 372, "atom1_serNum": 2576, "atom2_serNum": 2580, "donAcc_type": "standard", "distance": 3.441, "atom1_id": "///B/63/NZ", "atom2_id": "///B/64/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 373, "atom1_serNum": 2603, "atom2_serNum": 2806, "donAcc_type": "acceptable", "distance": 2.798, "atom1_id": "///B/66/OH", "atom2_id": "///B/92/OE1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 374, "atom1_serNum": 2603, "atom2_serNum": 2822, "donAcc_type": "acceptable", "distance": 2.740, "atom1_id": "///B/66/OH", "atom2_id": "///B/94/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 375, "atom1_serNum": 2603, "atom2_serNum": 3017, "donAcc_type": "acceptable", "distance": 3.186, "atom1_id": "///B/66/OH", "atom2_id": "///B/119/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 376, "atom1_serNum": 2603, "atom2_serNum": 6793, "donAcc_type": "acceptable", "distance": 3.248, "atom1_id": "///B/66/OH", "atom2_id": "///W/35/OP1", "atom_pair": "O:O", "residue_pair": "aa:nt" }, { "index": 377, "atom1_serNum": 2609, "atom2_serNum": 2802, "donAcc_type": "acceptable", "distance": 2.605, "atom1_id": "///B/67/OG", "atom2_id": "///B/92/O", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 378, "atom1_serNum": 2609, "atom2_serNum": 2811, "donAcc_type": "acceptable", "distance": 2.780, "atom1_id": "///B/67/OG", "atom2_id": "///B/93/O", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 379, "atom1_serNum": 2610, "atom2_serNum": 2811, "donAcc_type": "standard", "distance": 3.155, "atom1_id": "///B/68/N", "atom2_id": "///B/93/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 380, "atom1_serNum": 2648, "atom2_serNum": 2650, "donAcc_type": "acceptable", "distance": 2.987, "atom1_id": "///B/73/O", "atom2_id": "///B/73/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 381, "atom1_serNum": 2650, "atom2_serNum": 2663, "donAcc_type": "acceptable", "distance": 2.619, "atom1_id": "///B/73/OG", "atom2_id": "///B/75/O", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 382, "atom1_serNum": 2687, "atom2_serNum": 2861, "donAcc_type": "standard", "distance": 2.877, "atom1_id": "///B/78/N", "atom2_id": "///B/99/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 383, "atom1_serNum": 2694, "atom2_serNum": 2877, "donAcc_type": "standard", "distance": 2.776, "atom1_id": "///B/78/OD2", "atom2_id": "///B/101/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 384, "atom1_serNum": 2695, "atom2_serNum": 2861, "donAcc_type": "standard", "distance": 2.963, "atom1_id": "///B/79/N", "atom2_id": "///B/99/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 385, "atom1_serNum": 2698, "atom2_serNum": 2858, "donAcc_type": "standard", "distance": 2.909, "atom1_id": "///B/79/O", "atom2_id": "///B/99/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 386, "atom1_serNum": 2701, "atom2_serNum": 2703, "donAcc_type": "standard", "distance": 2.407, "atom1_id": "///B/79/OD1", "atom2_id": "///B/80/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 387, "atom1_serNum": 2710, "atom2_serNum": 2844, "donAcc_type": "standard", "distance": 2.870, "atom1_id": "///B/81/N", "atom2_id": "///B/97/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 388, "atom1_serNum": 2713, "atom2_serNum": 2841, "donAcc_type": "standard", "distance": 2.930, "atom1_id": "///B/81/O", "atom2_id": "///B/97/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 389, "atom1_serNum": 2718, "atom2_serNum": 2730, "donAcc_type": "standard", "distance": 3.195, "atom1_id": "///B/81/NE2", "atom2_id": "///B/83/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 390, "atom1_serNum": 2727, "atom2_serNum": 2826, "donAcc_type": "standard", "distance": 3.200, "atom1_id": "///B/83/N", "atom2_id": "///B/95/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 391, "atom1_serNum": 2731, "atom2_serNum": 2786, "donAcc_type": "standard", "distance": 2.844, "atom1_id": "///B/84/N", "atom2_id": "///B/90/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 392, "atom1_serNum": 2739, "atom2_serNum": 2787, "donAcc_type": "standard", "distance": 2.819, "atom1_id": "///B/85/N", "atom2_id": "///B/90/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 393, "atom1_serNum": 2743, "atom2_serNum": 2787, "donAcc_type": "standard", "distance": 2.962, "atom1_id": "///B/86/N", "atom2_id": "///B/90/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 394, "atom1_serNum": 2746, "atom2_serNum": 2780, "donAcc_type": "standard", "distance": 3.216, "atom1_id": "///B/86/O", "atom2_id": "///B/90/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 395, "atom1_serNum": 2754, "atom2_serNum": 2788, "donAcc_type": "standard", "distance": 2.974, "atom1_id": "///B/87/O", "atom2_id": "///B/91/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 396, "atom1_serNum": 2767, "atom2_serNum": 3073, "donAcc_type": "standard", "distance": 3.040, "atom1_id": "///B/88/OE1", "atom2_id": "///B/125/NH1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 397, "atom1_serNum": 2772, "atom2_serNum": 2799, "donAcc_type": "standard", "distance": 3.047, "atom1_id": "///B/89/O", "atom2_id": "///B/92/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 398, "atom1_serNum": 2772, "atom2_serNum": 2808, "donAcc_type": "standard", "distance": 3.300, "atom1_id": "///B/89/O", "atom2_id": "///B/93/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 399, "atom1_serNum": 2806, "atom2_serNum": 2819, "donAcc_type": "standard", "distance": 2.754, "atom1_id": "///B/92/OE1", "atom2_id": "///B/94/NE", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 400, "atom1_serNum": 2806, "atom2_serNum": 2822, "donAcc_type": "standard", "distance": 2.852, "atom1_id": "///B/92/OE1", "atom2_id": "///B/94/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 401, "atom1_serNum": 2806, "atom2_serNum": 3017, "donAcc_type": "standard", "distance": 3.249, "atom1_id": "///B/92/OE1", "atom2_id": "///B/119/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 402, "atom1_serNum": 2807, "atom2_serNum": 3016, "donAcc_type": "standard", "distance": 3.601, "atom1_id": "///B/92/OE2", "atom2_id": "///B/119/NH1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 403, "atom1_serNum": 2815, "atom2_serNum": 2935, "donAcc_type": "standard", "distance": 3.155, "atom1_id": "///B/94/O", "atom2_id": "///B/109/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 404, "atom1_serNum": 2821, "atom2_serNum": 2938, "donAcc_type": "standard", "distance": 2.961, "atom1_id": "///B/94/NH1", "atom2_id": "///B/109/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 405, "atom1_serNum": 2834, "atom2_serNum": 2924, "donAcc_type": "standard", "distance": 2.976, "atom1_id": "///B/96/N", "atom2_id": "///B/107/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 406, "atom1_serNum": 2837, "atom2_serNum": 2921, "donAcc_type": "standard", "distance": 2.895, "atom1_id": "///B/96/O", "atom2_id": "///B/107/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 407, "atom1_serNum": 2848, "atom2_serNum": 2864, "donAcc_type": "standard", "distance": 2.960, "atom1_id": "///B/97/NE", "atom2_id": "///B/99/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 408, "atom1_serNum": 2848, "atom2_serNum": 2905, "donAcc_type": "acceptable", "distance": 2.807, "atom1_id": "///B/97/NE", "atom2_id": "///B/104/OG", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 409, "atom1_serNum": 2850, "atom2_serNum": 3200, "donAcc_type": "standard", "distance": 3.291, "atom1_id": "///B/97/NH1", "atom2_id": "///B/140/OE2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 410, "atom1_serNum": 2851, "atom2_serNum": 2905, "donAcc_type": "acceptable", "distance": 3.077, "atom1_id": "///B/97/NH2", "atom2_id": "///B/104/OG", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 411, "atom1_serNum": 2851, "atom2_serNum": 3199, "donAcc_type": "standard", "distance": 2.740, "atom1_id": "///B/97/NH2", "atom2_id": "///B/140/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 412, "atom1_serNum": 2852, "atom2_serNum": 2909, "donAcc_type": "standard", "distance": 2.887, "atom1_id": "///B/98/N", "atom2_id": "///B/105/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 413, "atom1_serNum": 2855, "atom2_serNum": 2906, "donAcc_type": "standard", "distance": 2.920, "atom1_id": "///B/98/O", "atom2_id": "///B/105/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 414, "atom1_serNum": 2864, "atom2_serNum": 2905, "donAcc_type": "acceptable", "distance": 2.534, "atom1_id": "///B/99/OD1", "atom2_id": "///B/104/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 415, "atom1_serNum": 2866, "atom2_serNum": 2895, "donAcc_type": "standard", "distance": 2.874, "atom1_id": "///B/100/N", "atom2_id": "///B/103/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 416, "atom1_serNum": 2869, "atom2_serNum": 2881, "donAcc_type": "standard", "distance": 3.300, "atom1_id": "///B/100/O", "atom2_id": "///B/102/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 417, "atom1_serNum": 2880, "atom2_serNum": 3214, "donAcc_type": "standard", "distance": 2.792, "atom1_id": "///B/101/O", "atom2_id": "///B/142/NH1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 418, "atom1_serNum": 2880, "atom2_serNum": 3215, "donAcc_type": "standard", "distance": 2.986, "atom1_id": "///B/101/O", "atom2_id": "///B/142/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 419, "atom1_serNum": 2900, "atom2_serNum": 3219, "donAcc_type": "standard", "distance": 2.915, "atom1_id": "///B/104/N", "atom2_id": "///B/143/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 420, "atom1_serNum": 2903, "atom2_serNum": 3232, "donAcc_type": "standard", "distance": 2.898, "atom1_id": "///B/104/O", "atom2_id": "///B/145/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 421, "atom1_serNum": 2913, "atom2_serNum": 3235, "donAcc_type": "standard", "distance": 2.919, "atom1_id": "///B/106/N", "atom2_id": "///B/145/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 422, "atom1_serNum": 2916, "atom2_serNum": 3246, "donAcc_type": "standard", "distance": 2.889, "atom1_id": "///B/106/O", "atom2_id": "///B/147/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 423, "atom1_serNum": 2927, "atom2_serNum": 3249, "donAcc_type": "standard", "distance": 2.934, "atom1_id": "///B/108/N", "atom2_id": "///B/147/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 424, "atom1_serNum": 2930, "atom2_serNum": 3256, "donAcc_type": "standard", "distance": 2.925, "atom1_id": "///B/108/O", "atom2_id": "///B/149/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 425, "atom1_serNum": 2946, "atom2_serNum": 6814, "donAcc_type": "acceptable", "distance": 2.984, "atom1_id": "///B/109/OH", "atom2_id": "///W/36/OP2", "atom_pair": "O:O", "residue_pair": "aa:nt" }, { "index": 426, "atom1_serNum": 2947, "atom2_serNum": 3259, "donAcc_type": "standard", "distance": 2.809, "atom1_id": "///B/110/N", "atom2_id": "///B/149/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 427, "atom1_serNum": 2950, "atom2_serNum": 3285, "donAcc_type": "standard", "distance": 2.685, "atom1_id": "///B/110/O", "atom2_id": "///B/151/ND2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 428, "atom1_serNum": 2965, "atom2_serNum": 3014, "donAcc_type": "standard", "distance": 3.978, "atom1_id": "///B/112/O", "atom2_id": "///B/119/NE", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 429, "atom1_serNum": 2967, "atom2_serNum": 2977, "donAcc_type": "acceptable", "distance": 3.383, "atom1_id": "///B/112/OG", "atom2_id": "///B/114/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 430, "atom1_serNum": 2971, "atom2_serNum": 3025, "donAcc_type": "questionable", "distance": 2.864, "atom1_id": "///B/113/O", "atom2_id": "///B/120/OE1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 431, "atom1_serNum": 2977, "atom2_serNum": 6823, "donAcc_type": "acceptable", "distance": 3.197, "atom1_id": "///B/114/OG", "atom2_id": "///W/37/OP1", "atom_pair": "O:O", "residue_pair": "aa:nt" }, { "index": 432, "atom1_serNum": 2983, "atom2_serNum": 6794, "donAcc_type": "acceptable", "distance": 3.034, "atom1_id": "///B/115/OG", "atom2_id": "///W/35/OP2", "atom_pair": "O:O", "residue_pair": "aa:nt" }, { "index": 433, "atom1_serNum": 2987, "atom2_serNum": 3018, "donAcc_type": "standard", "distance": 3.182, "atom1_id": "///B/116/O", "atom2_id": "///B/120/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 434, "atom1_serNum": 2992, "atom2_serNum": 3027, "donAcc_type": "standard", "distance": 2.948, "atom1_id": "///B/117/O", "atom2_id": "///B/121/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 435, "atom1_serNum": 2997, "atom2_serNum": 3035, "donAcc_type": "standard", "distance": 2.856, "atom1_id": "///B/117/OE2", "atom2_id": "///B/121/NE2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 436, "atom1_serNum": 3001, "atom2_serNum": 3036, "donAcc_type": "standard", "distance": 2.946, "atom1_id": "///B/118/O", "atom2_id": "///B/122/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 437, "atom1_serNum": 3010, "atom2_serNum": 3043, "donAcc_type": "standard", "distance": 2.927, "atom1_id": "///B/119/O", "atom2_id": "///B/123/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 438, "atom1_serNum": 3021, "atom2_serNum": 3052, "donAcc_type": "standard", "distance": 2.944, "atom1_id": "///B/120/O", "atom2_id": "///B/124/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 439, "atom1_serNum": 3025, "atom2_serNum": 3433, "donAcc_type": "acceptable", "distance": 2.618, "atom1_id": "///B/120/OE1", "atom2_id": "///B/169/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 440, "atom1_serNum": 3026, "atom2_serNum": 3481, "donAcc_type": "standard", "distance": 2.570, "atom1_id": "///B/120/NE2", "atom2_id": "///B/175/OE2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 441, "atom1_serNum": 3030, "atom2_serNum": 3064, "donAcc_type": "standard", "distance": 2.933, "atom1_id": "///B/121/O", "atom2_id": "///B/125/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 442, "atom1_serNum": 3039, "atom2_serNum": 3075, "donAcc_type": "standard", "distance": 2.897, "atom1_id": "///B/122/O", "atom2_id": "///B/126/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 443, "atom1_serNum": 3046, "atom2_serNum": 3086, "donAcc_type": "standard", "distance": 2.939, "atom1_id": "///B/123/O", "atom2_id": "///B/127/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 444, "atom1_serNum": 3051, "atom2_serNum": 3281, "donAcc_type": "standard", "distance": 3.065, "atom1_id": "///B/123/NZ", "atom2_id": "///B/151/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 445, "atom1_serNum": 3055, "atom2_serNum": 3094, "donAcc_type": "standard", "distance": 2.929, "atom1_id": "///B/124/O", "atom2_id": "///B/128/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 446, "atom1_serNum": 3067, "atom2_serNum": 3102, "donAcc_type": "standard", "distance": 2.960, "atom1_id": "///B/125/O", "atom2_id": "///B/129/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 447, "atom1_serNum": 3078, "atom2_serNum": 3107, "donAcc_type": "standard", "distance": 2.873, "atom1_id": "///B/126/O", "atom2_id": "///B/130/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 448, "atom1_serNum": 3089, "atom2_serNum": 3118, "donAcc_type": "standard", "distance": 2.936, "atom1_id": "///B/127/O", "atom2_id": "///B/131/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 449, "atom1_serNum": 3110, "atom2_serNum": 3145, "donAcc_type": "standard", "distance": 3.323, "atom1_id": "///B/130/O", "atom2_id": "///B/134/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 450, "atom1_serNum": 3121, "atom2_serNum": 3153, "donAcc_type": "standard", "distance": 3.172, "atom1_id": "///B/131/O", "atom2_id": "///B/135/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 451, "atom1_serNum": 3133, "atom2_serNum": 3162, "donAcc_type": "standard", "distance": 2.829, "atom1_id": "///B/132/O", "atom2_id": "///B/136/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 452, "atom1_serNum": 3140, "atom2_serNum": 3167, "donAcc_type": "standard", "distance": 2.830, "atom1_id": "///B/133/O", "atom2_id": "///B/137/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 453, "atom1_serNum": 3148, "atom2_serNum": 3175, "donAcc_type": "standard", "distance": 3.328, "atom1_id": "///B/134/O", "atom2_id": "///B/138/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 454, "atom1_serNum": 3156, "atom2_serNum": 3184, "donAcc_type": "standard", "distance": 3.326, "atom1_id": "///B/135/O", "atom2_id": "///B/139/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 455, "atom1_serNum": 3165, "atom2_serNum": 3192, "donAcc_type": "standard", "distance": 3.218, "atom1_id": "///B/136/O", "atom2_id": "///B/140/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 456, "atom1_serNum": 3170, "atom2_serNum": 3192, "donAcc_type": "standard", "distance": 3.292, "atom1_id": "///B/137/O", "atom2_id": "///B/140/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 457, "atom1_serNum": 3183, "atom2_serNum": 3190, "donAcc_type": "standard", "distance": 2.441, "atom1_id": "///B/138/NZ", "atom2_id": "///B/139/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 458, "atom1_serNum": 3208, "atom2_serNum": 3224, "donAcc_type": "standard", "distance": 3.323, "atom1_id": "///B/142/O", "atom2_id": "///B/144/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 459, "atom1_serNum": 3208, "atom2_serNum": 3922, "donAcc_type": "acceptable", "distance": 3.923, "atom1_id": "///B/142/O", "atom2_id": "///B/226/OG1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 460, "atom1_serNum": 3222, "atom2_serNum": 3922, "donAcc_type": "acceptable", "distance": 3.959, "atom1_id": "///B/143/OD1", "atom2_id": "///B/226/OG1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 461, "atom1_serNum": 3223, "atom2_serNum": 4163, "donAcc_type": "acceptable", "distance": 2.437, "atom1_id": "///B/143/OD2", "atom2_id": "///B/256/OH", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 462, "atom1_serNum": 3224, "atom2_serNum": 3922, "donAcc_type": "acceptable", "distance": 3.510, "atom1_id": "///B/144/N", "atom2_id": "///B/226/OG1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 463, "atom1_serNum": 3227, "atom2_serNum": 3917, "donAcc_type": "standard", "distance": 3.309, "atom1_id": "///B/144/O", "atom2_id": "///B/226/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 464, "atom1_serNum": 3239, "atom2_serNum": 3905, "donAcc_type": "standard", "distance": 2.866, "atom1_id": "///B/146/N", "atom2_id": "///B/224/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 465, "atom1_serNum": 3242, "atom2_serNum": 3902, "donAcc_type": "standard", "distance": 2.915, "atom1_id": "///B/146/O", "atom2_id": "///B/224/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 466, "atom1_serNum": 3252, "atom2_serNum": 3884, "donAcc_type": "standard", "distance": 2.969, "atom1_id": "///B/148/N", "atom2_id": "///B/222/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 467, "atom1_serNum": 3255, "atom2_serNum": 3881, "donAcc_type": "standard", "distance": 2.893, "atom1_id": "///B/148/O", "atom2_id": "///B/222/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 468, "atom1_serNum": 3262, "atom2_serNum": 3278, "donAcc_type": "standard", "distance": 2.993, "atom1_id": "///B/149/OD1", "atom2_id": "///B/151/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 469, "atom1_serNum": 3264, "atom2_serNum": 3868, "donAcc_type": "standard", "distance": 2.913, "atom1_id": "///B/150/N", "atom2_id": "///B/220/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 470, "atom1_serNum": 3284, "atom2_serNum": 6811, "donAcc_type": "questionable", "distance": 2.988, "atom1_id": "///B/151/OD1", "atom2_id": "///W/36/O5'", "atom_pair": "O:O", "residue_pair": "aa:nt" }, { "index": 471, "atom1_serNum": 3289, "atom2_serNum": 3892, "donAcc_type": "acceptable", "distance": 2.192, "atom1_id": "///B/152/O", "atom2_id": "///B/222/OH", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 472, "atom1_serNum": 3294, "atom2_serNum": 3437, "donAcc_type": "standard", "distance": 2.771, "atom1_id": "///B/153/N", "atom2_id": "///B/170/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 473, "atom1_serNum": 3302, "atom2_serNum": 3489, "donAcc_type": "standard", "distance": 3.100, "atom1_id": "///B/154/O", "atom2_id": "///B/176/NE", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 474, "atom1_serNum": 3305, "atom2_serNum": 3485, "donAcc_type": "acceptable", "distance": 3.345, "atom1_id": "///B/154/ND1", "atom2_id": "///B/176/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 475, "atom1_serNum": 3309, "atom2_serNum": 3341, "donAcc_type": "standard", "distance": 2.589, "atom1_id": "///B/155/N", "atom2_id": "///B/158/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 476, "atom1_serNum": 3312, "atom2_serNum": 3334, "donAcc_type": "standard", "distance": 2.945, "atom1_id": "///B/155/O", "atom2_id": "///B/158/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 477, "atom1_serNum": 3318, "atom2_serNum": 3324, "donAcc_type": "standard", "distance": 2.824, "atom1_id": "///B/156/N", "atom2_id": "///B/156/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 478, "atom1_serNum": 3321, "atom2_serNum": 3345, "donAcc_type": "questionable", "distance": 3.245, "atom1_id": "///B/156/O", "atom2_id": "///B/159/O", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 479, "atom1_serNum": 3337, "atom2_serNum": 3854, "donAcc_type": "standard", "distance": 2.876, "atom1_id": "///B/158/O", "atom2_id": "///B/219/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 480, "atom1_serNum": 3340, "atom2_serNum": 3644, "donAcc_type": "standard", "distance": 2.605, "atom1_id": "///B/158/OD1", "atom2_id": "///B/193/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 481, "atom1_serNum": 3340, "atom2_serNum": 3863, "donAcc_type": "standard", "distance": 2.395, "atom1_id": "///B/158/OD1", "atom2_id": "///B/219/NH1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 482, "atom1_serNum": 3350, "atom2_serNum": 3839, "donAcc_type": "standard", "distance": 3.103, "atom1_id": "///B/160/N", "atom2_id": "///B/217/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 483, "atom1_serNum": 3358, "atom2_serNum": 3815, "donAcc_type": "standard", "distance": 3.820, "atom1_id": "///B/160/NZ", "atom2_id": "///B/214/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 484, "atom1_serNum": 3362, "atom2_serNum": 3401, "donAcc_type": "standard", "distance": 2.415, "atom1_id": "///B/161/O", "atom2_id": "///B/165/ND2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 485, "atom1_serNum": 3384, "atom2_serNum": 3410, "donAcc_type": "standard", "distance": 3.725, "atom1_id": "///B/163/O", "atom2_id": "///B/166/NE2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 486, "atom1_serNum": 3389, "atom2_serNum": 7342, "donAcc_type": "standard", "distance": 2.735, "atom1_id": "///B/163/NZ", "atom2_id": "///Y/41/OP2", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 487, "atom1_serNum": 3393, "atom2_serNum": 3427, "donAcc_type": "standard", "distance": 3.231, "atom1_id": "///B/164/O", "atom2_id": "///B/168/ND2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 488, "atom1_serNum": 3400, "atom2_serNum": 3427, "donAcc_type": "standard", "distance": 2.744, "atom1_id": "///B/165/OD1", "atom2_id": "///B/168/ND2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 489, "atom1_serNum": 3423, "atom2_serNum": 3438, "donAcc_type": "standard", "distance": 3.522, "atom1_id": "///B/168/O", "atom2_id": "///B/171/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 490, "atom1_serNum": 3434, "atom2_serNum": 3480, "donAcc_type": "standard", "distance": 3.093, "atom1_id": "///B/170/N", "atom2_id": "///B/175/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 491, "atom1_serNum": 3449, "atom2_serNum": 3480, "donAcc_type": "standard", "distance": 3.024, "atom1_id": "///B/172/N", "atom2_id": "///B/175/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 492, "atom1_serNum": 3452, "atom2_serNum": 3473, "donAcc_type": "standard", "distance": 3.174, "atom1_id": "///B/172/O", "atom2_id": "///B/175/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 493, "atom1_serNum": 3452, "atom2_serNum": 3482, "donAcc_type": "standard", "distance": 2.926, "atom1_id": "///B/172/O", "atom2_id": "///B/176/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 494, "atom1_serNum": 3460, "atom2_serNum": 3493, "donAcc_type": "standard", "distance": 2.902, "atom1_id": "///B/173/O", "atom2_id": "///B/177/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 495, "atom1_serNum": 3467, "atom2_serNum": 3502, "donAcc_type": "standard", "distance": 2.811, "atom1_id": "///B/174/O", "atom2_id": "///B/178/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 496, "atom1_serNum": 3472, "atom2_serNum": 3536, "donAcc_type": "standard", "distance": 3.214, "atom1_id": "///B/174/OE2", "atom2_id": "///B/181/NZ", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 497, "atom1_serNum": 3476, "atom2_serNum": 3502, "donAcc_type": "standard", "distance": 2.969, "atom1_id": "///B/175/O", "atom2_id": "///B/178/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 498, "atom1_serNum": 3476, "atom2_serNum": 3516, "donAcc_type": "standard", "distance": 2.964, "atom1_id": "///B/175/O", "atom2_id": "///B/179/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 499, "atom1_serNum": 3485, "atom2_serNum": 3524, "donAcc_type": "standard", "distance": 2.913, "atom1_id": "///B/176/O", "atom2_id": "///B/180/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 500, "atom1_serNum": 3496, "atom2_serNum": 3528, "donAcc_type": "standard", "distance": 2.839, "atom1_id": "///B/177/O", "atom2_id": "///B/181/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 501, "atom1_serNum": 3505, "atom2_serNum": 3537, "donAcc_type": "standard", "distance": 2.918, "atom1_id": "///B/178/O", "atom2_id": "///B/182/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 502, "atom1_serNum": 3519, "atom2_serNum": 3544, "donAcc_type": "standard", "distance": 2.911, "atom1_id": "///B/179/O", "atom2_id": "///B/183/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 503, "atom1_serNum": 3527, "atom2_serNum": 3552, "donAcc_type": "standard", "distance": 2.892, "atom1_id": "///B/180/O", "atom2_id": "///B/184/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 504, "atom1_serNum": 3531, "atom2_serNum": 3562, "donAcc_type": "standard", "distance": 3.096, "atom1_id": "///B/181/O", "atom2_id": "///B/185/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 505, "atom1_serNum": 3531, "atom2_serNum": 3571, "donAcc_type": "standard", "distance": 3.236, "atom1_id": "///B/181/O", "atom2_id": "///B/186/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 506, "atom1_serNum": 3540, "atom2_serNum": 3583, "donAcc_type": "standard", "distance": 3.306, "atom1_id": "///B/182/O", "atom2_id": "///B/188/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 507, "atom1_serNum": 3547, "atom2_serNum": 3586, "donAcc_type": "questionable", "distance": 3.072, "atom1_id": "///B/183/O", "atom2_id": "///B/188/O", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 508, "atom1_serNum": 3597, "atom2_serNum": 3913, "donAcc_type": "standard", "distance": 2.933, "atom1_id": "///B/189/N", "atom2_id": "///B/225/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 509, "atom1_serNum": 3600, "atom2_serNum": 3612, "donAcc_type": "standard", "distance": 2.936, "atom1_id": "///B/189/O", "atom2_id": "///B/191/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 510, "atom1_serNum": 3600, "atom2_serNum": 3910, "donAcc_type": "standard", "distance": 2.986, "atom1_id": "///B/189/O", "atom2_id": "///B/225/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 511, "atom1_serNum": 3607, "atom2_serNum": 3634, "donAcc_type": "standard", "distance": 3.133, "atom1_id": "///B/190/O", "atom2_id": "///B/193/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 512, "atom1_serNum": 3607, "atom2_serNum": 3645, "donAcc_type": "standard", "distance": 3.078, "atom1_id": "///B/190/O", "atom2_id": "///B/194/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 513, "atom1_serNum": 3610, "atom2_serNum": 3864, "donAcc_type": "standard", "distance": 2.857, "atom1_id": "///B/190/OD1", "atom2_id": "///B/219/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 514, "atom1_serNum": 3611, "atom2_serNum": 3864, "donAcc_type": "standard", "distance": 2.315, "atom1_id": "///B/190/OD2", "atom2_id": "///B/219/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 515, "atom1_serNum": 3612, "atom2_serNum": 3896, "donAcc_type": "standard", "distance": 3.589, "atom1_id": "///B/191/N", "atom2_id": "///B/223/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 516, "atom1_serNum": 3615, "atom2_serNum": 3652, "donAcc_type": "standard", "distance": 2.914, "atom1_id": "///B/191/O", "atom2_id": "///B/195/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 517, "atom1_serNum": 3623, "atom2_serNum": 3660, "donAcc_type": "standard", "distance": 2.792, "atom1_id": "///B/192/O", "atom2_id": "///B/196/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 518, "atom1_serNum": 3628, "atom2_serNum": 3690, "donAcc_type": "standard", "distance": 3.236, "atom1_id": "///B/192/NE1", "atom2_id": "///B/199/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 519, "atom1_serNum": 3643, "atom2_serNum": 3663, "donAcc_type": "standard", "distance": 2.665, "atom1_id": "///B/193/NH1", "atom2_id": "///B/196/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 520, "atom1_serNum": 3643, "atom2_serNum": 3690, "donAcc_type": "standard", "distance": 2.748, "atom1_id": "///B/193/NH1", "atom2_id": "///B/199/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 521, "atom1_serNum": 3644, "atom2_serNum": 3697, "donAcc_type": "standard", "distance": 3.510, "atom1_id": "///B/193/NH2", "atom2_id": "///B/200/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 522, "atom1_serNum": 3671, "atom2_serNum": 3985, "donAcc_type": "acceptable", "distance": 3.052, "atom1_id": "///B/196/OH", "atom2_id": "///B/236/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 523, "atom1_serNum": 3671, "atom2_serNum": 3988, "donAcc_type": "acceptable", "distance": 3.128, "atom1_id": "///B/196/OH", "atom2_id": "///B/236/O", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 524, "atom1_serNum": 3717, "atom2_serNum": 3843, "donAcc_type": "standard", "distance": 2.660, "atom1_id": "///B/203/N", "atom2_id": "///B/218/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 525, "atom1_serNum": 3720, "atom2_serNum": 4089, "donAcc_type": "standard", "distance": 2.743, "atom1_id": "///B/203/O", "atom2_id": "///B/248/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 526, "atom1_serNum": 3722, "atom2_serNum": 3865, "donAcc_type": "acceptable", "distance": 3.146, "atom1_id": "///B/203/OG1", "atom2_id": "///B/220/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 527, "atom1_serNum": 3722, "atom2_serNum": 3873, "donAcc_type": "acceptable", "distance": 3.077, "atom1_id": "///B/203/OG1", "atom2_id": "///B/221/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 528, "atom1_serNum": 3722, "atom2_serNum": 3879, "donAcc_type": "acceptable", "distance": 2.926, "atom1_id": "///B/203/OG1", "atom2_id": "///B/221/OD1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 529, "atom1_serNum": 3724, "atom2_serNum": 3843, "donAcc_type": "standard", "distance": 2.900, "atom1_id": "///B/204/N", "atom2_id": "///B/218/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 530, "atom1_serNum": 3727, "atom2_serNum": 3840, "donAcc_type": "standard", "distance": 2.714, "atom1_id": "///B/204/O", "atom2_id": "///B/218/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 531, "atom1_serNum": 3732, "atom2_serNum": 4078, "donAcc_type": "standard", "distance": 3.285, "atom1_id": "///B/204/NE1", "atom2_id": "///B/246/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 532, "atom1_serNum": 3738, "atom2_serNum": 4074, "donAcc_type": "standard", "distance": 3.392, "atom1_id": "///B/205/N", "atom2_id": "///B/246/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 533, "atom1_serNum": 3746, "atom2_serNum": 3827, "donAcc_type": "standard", "distance": 2.887, "atom1_id": "///B/205/NE1", "atom2_id": "///B/215/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 534, "atom1_serNum": 3757, "atom2_serNum": 3766, "donAcc_type": "acceptable", "distance": 3.335, "atom1_id": "///B/206/OG", "atom2_id": "///B/208/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 535, "atom1_serNum": 3764, "atom2_serNum": 7044, "donAcc_type": "standard", "distance": 2.531, "atom1_id": "///B/207/OD1", "atom2_id": "///X/47/N2", "atom_pair": "O:N", "residue_pair": "aa:nt" }, { "index": 536, "atom1_serNum": 3765, "atom2_serNum": 7045, "donAcc_type": "standard", "distance": 3.094, "atom1_id": "///B/207/ND2", "atom2_id": "///X/47/N3", "atom_pair": "N:N", "residue_pair": "aa:nt" }, { "index": 537, "atom1_serNum": 3765, "atom2_serNum": 7053, "donAcc_type": "standard", "distance": 3.038, "atom1_id": "///B/207/ND2", "atom2_id": "///X/48/O4'", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 538, "atom1_serNum": 3769, "atom2_serNum": 3790, "donAcc_type": "standard", "distance": 3.136, "atom1_id": "///B/208/O", "atom2_id": "///B/211/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 539, "atom1_serNum": 3781, "atom2_serNum": 6863, "donAcc_type": "standard", "distance": 2.796, "atom1_id": "///B/210/N", "atom2_id": "///W/39/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 540, "atom1_serNum": 3784, "atom2_serNum": 3812, "donAcc_type": "standard", "distance": 2.740, "atom1_id": "///B/210/O", "atom2_id": "///B/214/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 541, "atom1_serNum": 3793, "atom2_serNum": 3829, "donAcc_type": "standard", "distance": 2.621, "atom1_id": "///B/211/O", "atom2_id": "///B/216/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 542, "atom1_serNum": 3798, "atom2_serNum": 3821, "donAcc_type": "standard", "distance": 3.109, "atom1_id": "///B/212/O", "atom2_id": "///B/215/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 543, "atom1_serNum": 3820, "atom2_serNum": 6864, "donAcc_type": "standard", "distance": 2.759, "atom1_id": "///B/214/NZ", "atom2_id": "///W/39/OP2", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 544, "atom1_serNum": 3824, "atom2_serNum": 3836, "donAcc_type": "standard", "distance": 3.293, "atom1_id": "///B/215/O", "atom2_id": "///B/217/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 545, "atom1_serNum": 3848, "atom2_serNum": 6842, "donAcc_type": "standard", "distance": 2.496, "atom1_id": "///B/218/NE1", "atom2_id": "///W/38/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 546, "atom1_serNum": 3857, "atom2_serNum": 3892, "donAcc_type": "acceptable", "distance": 3.817, "atom1_id": "///B/219/O", "atom2_id": "///B/222/OH", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 547, "atom1_serNum": 3896, "atom2_serNum": 3910, "donAcc_type": "standard", "distance": 3.299, "atom1_id": "///B/223/O", "atom2_id": "///B/225/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 548, "atom1_serNum": 3900, "atom2_serNum": 4143, "donAcc_type": "acceptable", "distance": 3.217, "atom1_id": "///B/223/OE1", "atom2_id": "///B/254/OH", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 549, "atom1_serNum": 3901, "atom2_serNum": 4104, "donAcc_type": "standard", "distance": 3.063, "atom1_id": "///B/223/NE2", "atom2_id": "///B/250/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 550, "atom1_serNum": 3920, "atom2_serNum": 3940, "donAcc_type": "standard", "distance": 3.070, "atom1_id": "///B/226/O", "atom2_id": "///B/229/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 551, "atom1_serNum": 3920, "atom2_serNum": 3948, "donAcc_type": "standard", "distance": 2.697, "atom1_id": "///B/226/O", "atom2_id": "///B/230/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 552, "atom1_serNum": 3927, "atom2_serNum": 3953, "donAcc_type": "standard", "distance": 2.909, "atom1_id": "///B/227/O", "atom2_id": "///B/231/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 553, "atom1_serNum": 3934, "atom2_serNum": 3966, "donAcc_type": "standard", "distance": 2.639, "atom1_id": "///B/228/O", "atom2_id": "///B/232/NZ", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 554, "atom1_serNum": 3943, "atom2_serNum": 3958, "donAcc_type": "standard", "distance": 2.865, "atom1_id": "///B/229/O", "atom2_id": "///B/232/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 555, "atom1_serNum": 3951, "atom2_serNum": 3967, "donAcc_type": "standard", "distance": 3.238, "atom1_id": "///B/230/O", "atom2_id": "///B/233/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 556, "atom1_serNum": 3961, "atom2_serNum": 4144, "donAcc_type": "standard", "distance": 2.967, "atom1_id": "///B/232/O", "atom2_id": "///B/255/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 557, "atom1_serNum": 3972, "atom2_serNum": 4126, "donAcc_type": "standard", "distance": 3.123, "atom1_id": "///B/234/N", "atom2_id": "///B/253/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 558, "atom1_serNum": 3982, "atom2_serNum": 4123, "donAcc_type": "standard", "distance": 2.946, "atom1_id": "///B/235/O", "atom2_id": "///B/253/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 559, "atom1_serNum": 3990, "atom2_serNum": 4112, "donAcc_type": "standard", "distance": 2.914, "atom1_id": "///B/237/N", "atom2_id": "///B/251/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 560, "atom1_serNum": 3993, "atom2_serNum": 4109, "donAcc_type": "standard", "distance": 2.929, "atom1_id": "///B/237/O", "atom2_id": "///B/251/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 561, "atom1_serNum": 4003, "atom2_serNum": 4019, "donAcc_type": "standard", "distance": 3.262, "atom1_id": "///B/238/O", "atom2_id": "///B/240/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 562, "atom1_serNum": 4007, "atom2_serNum": 4097, "donAcc_type": "standard", "distance": 3.028, "atom1_id": "///B/239/N", "atom2_id": "///B/249/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 563, "atom1_serNum": 4018, "atom2_serNum": 4044, "donAcc_type": "acceptable", "distance": 2.822, "atom1_id": "///B/239/OH", "atom2_id": "///B/242/OE2", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 564, "atom1_serNum": 4053, "atom2_serNum": 4068, "donAcc_type": "standard", "distance": 2.383, "atom1_id": "///B/243/NZ", "atom2_id": "///B/245/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 565, "atom1_serNum": 4070, "atom2_serNum": 4077, "donAcc_type": "acceptable", "distance": 2.799, "atom1_id": "///B/245/OG", "atom2_id": "///B/246/OD1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 566, "atom1_serNum": 4070, "atom2_serNum": 4079, "donAcc_type": "acceptable", "distance": 2.880, "atom1_id": "///B/245/OG", "atom2_id": "///B/247/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 567, "atom1_serNum": 4071, "atom2_serNum": 4077, "donAcc_type": "standard", "distance": 2.548, "atom1_id": "///B/246/N", "atom2_id": "///B/246/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 568, "atom1_serNum": 4123, "atom2_serNum": 4130, "donAcc_type": "standard", "distance": 2.550, "atom1_id": "///B/253/N", "atom2_id": "///B/253/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 569, "atom1_serNum": 4135, "atom2_serNum": 4152, "donAcc_type": "standard", "distance": 2.772, "atom1_id": "///B/254/O", "atom2_id": "///B/256/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 570, "atom1_serNum": 4186, "atom2_serNum": 4410, "donAcc_type": "questionable", "distance": 3.335, "atom1_id": "///C/1/O", "atom2_id": "///C/30/OD2", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 571, "atom1_serNum": 4191, "atom2_serNum": 6226, "donAcc_type": "standard", "distance": 2.901, "atom1_id": "///C/2/N", "atom2_id": "///C/254/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 572, "atom1_serNum": 4194, "atom2_serNum": 6223, "donAcc_type": "standard", "distance": 2.873, "atom1_id": "///C/2/O", "atom2_id": "///C/254/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 573, "atom1_serNum": 4199, "atom2_serNum": 4410, "donAcc_type": "standard", "distance": 3.379, "atom1_id": "///C/3/N", "atom2_id": "///C/30/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 574, "atom1_serNum": 4202, "atom2_serNum": 4403, "donAcc_type": "standard", "distance": 3.028, "atom1_id": "///C/3/O", "atom2_id": "///C/30/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 575, "atom1_serNum": 4202, "atom2_serNum": 4411, "donAcc_type": "standard", "distance": 3.273, "atom1_id": "///C/3/O", "atom2_id": "///C/31/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 576, "atom1_serNum": 4207, "atom2_serNum": 4391, "donAcc_type": "standard", "distance": 2.633, "atom1_id": "///C/3/NZ", "atom2_id": "///C/27/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 577, "atom1_serNum": 4208, "atom2_serNum": 6210, "donAcc_type": "standard", "distance": 2.921, "atom1_id": "///C/4/N", "atom2_id": "///C/252/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 578, "atom1_serNum": 4211, "atom2_serNum": 5992, "donAcc_type": "standard", "distance": 3.062, "atom1_id": "///C/4/O", "atom2_id": "///C/223/NE2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 579, "atom1_serNum": 4211, "atom2_serNum": 6207, "donAcc_type": "standard", "distance": 2.923, "atom1_id": "///C/4/O", "atom2_id": "///C/252/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 580, "atom1_serNum": 4216, "atom2_serNum": 4414, "donAcc_type": "standard", "distance": 3.042, "atom1_id": "///C/5/N", "atom2_id": "///C/31/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 581, "atom1_serNum": 4219, "atom2_serNum": 4426, "donAcc_type": "standard", "distance": 2.882, "atom1_id": "///C/5/O", "atom2_id": "///C/33/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 582, "atom1_serNum": 4224, "atom2_serNum": 6195, "donAcc_type": "standard", "distance": 2.912, "atom1_id": "///C/6/N", "atom2_id": "///C/250/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 583, "atom1_serNum": 4227, "atom2_serNum": 6192, "donAcc_type": "standard", "distance": 2.907, "atom1_id": "///C/6/O", "atom2_id": "///C/250/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 584, "atom1_serNum": 4229, "atom2_serNum": 4446, "donAcc_type": "acceptable", "distance": 3.697, "atom1_id": "///C/6/OG", "atom2_id": "///C/35/OE1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 585, "atom1_serNum": 4230, "atom2_serNum": 4429, "donAcc_type": "standard", "distance": 3.023, "atom1_id": "///C/7/N", "atom2_id": "///C/33/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 586, "atom1_serNum": 4233, "atom2_serNum": 4439, "donAcc_type": "standard", "distance": 3.176, "atom1_id": "///C/7/O", "atom2_id": "///C/35/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 587, "atom1_serNum": 4238, "atom2_serNum": 6161, "donAcc_type": "acceptable", "distance": 2.865, "atom1_id": "///C/8/O", "atom2_id": "///C/245/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 588, "atom1_serNum": 4241, "atom2_serNum": 4250, "donAcc_type": "standard", "distance": 3.188, "atom1_id": "///C/8/OD1", "atom2_id": "///C/10/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 589, "atom1_serNum": 4242, "atom2_serNum": 4455, "donAcc_type": "standard", "distance": 3.058, "atom1_id": "///C/8/ND2", "atom2_id": "///C/36/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 590, "atom1_serNum": 4242, "atom2_serNum": 5354, "donAcc_type": "standard", "distance": 2.979, "atom1_id": "///C/8/ND2", "atom2_id": "///C/149/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 591, "atom1_serNum": 4243, "atom2_serNum": 4442, "donAcc_type": "standard", "distance": 3.345, "atom1_id": "///C/9/N", "atom2_id": "///C/35/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 592, "atom1_serNum": 4256, "atom2_serNum": 4473, "donAcc_type": "standard", "distance": 3.282, "atom1_id": "///C/10/OD1", "atom2_id": "///C/38/NZ", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 593, "atom1_serNum": 4258, "atom2_serNum": 4451, "donAcc_type": "standard", "distance": 3.056, "atom1_id": "///C/11/N", "atom2_id": "///C/36/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 594, "atom1_serNum": 4261, "atom2_serNum": 4287, "donAcc_type": "standard", "distance": 2.953, "atom1_id": "///C/11/O", "atom2_id": "///C/15/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 595, "atom1_serNum": 4262, "atom2_serNum": 4460, "donAcc_type": "standard", "distance": 3.425, "atom1_id": "///C/12/N", "atom2_id": "///C/37/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 596, "atom1_serNum": 4265, "atom2_serNum": 4292, "donAcc_type": "standard", "distance": 2.897, "atom1_id": "///C/12/O", "atom2_id": "///C/16/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 597, "atom1_serNum": 4273, "atom2_serNum": 4304, "donAcc_type": "standard", "distance": 2.921, "atom1_id": "///C/13/O", "atom2_id": "///C/17/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 598, "atom1_serNum": 4279, "atom2_serNum": 4509, "donAcc_type": "standard", "distance": 3.957, "atom1_id": "///C/13/NH1", "atom2_id": "///C/43/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 599, "atom1_serNum": 4280, "atom2_serNum": 7557, "donAcc_type": "standard", "distance": 3.345, "atom1_id": "///C/13/NH2", "atom2_id": "///Z/51/O3'", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 600, "atom1_serNum": 4280, "atom2_serNum": 7573, "donAcc_type": "standard", "distance": 3.255, "atom1_id": "///C/13/NH2", "atom2_id": "///Z/52/OP2", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 601, "atom1_serNum": 4281, "atom2_serNum": 7550, "donAcc_type": "standard", "distance": 3.491, "atom1_id": "///C/14/N", "atom2_id": "///Z/51/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 602, "atom1_serNum": 4284, "atom2_serNum": 4304, "donAcc_type": "standard", "distance": 2.923, "atom1_id": "///C/14/O", "atom2_id": "///C/17/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 603, "atom1_serNum": 4284, "atom2_serNum": 4313, "donAcc_type": "standard", "distance": 2.921, "atom1_id": "///C/14/O", "atom2_id": "///C/18/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 604, "atom1_serNum": 4286, "atom2_serNum": 7529, "donAcc_type": "acceptable", "distance": 3.561, "atom1_id": "///C/14/OG", "atom2_id": "///Z/50/OP1", "atom_pair": "O:O", "residue_pair": "aa:nt" }, { "index": 605, "atom1_serNum": 4290, "atom2_serNum": 4313, "donAcc_type": "standard", "distance": 2.860, "atom1_id": "///C/15/O", "atom2_id": "///C/18/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 606, "atom1_serNum": 4290, "atom2_serNum": 4322, "donAcc_type": "standard", "distance": 3.077, "atom1_id": "///C/15/O", "atom2_id": "///C/19/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 607, "atom1_serNum": 4290, "atom2_serNum": 4326, "donAcc_type": "standard", "distance": 2.975, "atom1_id": "///C/15/O", "atom2_id": "///C/20/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 608, "atom1_serNum": 4303, "atom2_serNum": 4532, "donAcc_type": "acceptable", "distance": 2.742, "atom1_id": "///C/16/OH", "atom2_id": "///C/47/O", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 609, "atom1_serNum": 4325, "atom2_serNum": 4358, "donAcc_type": "standard", "distance": 3.405, "atom1_id": "///C/19/O", "atom2_id": "///C/23/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 610, "atom1_serNum": 4329, "atom2_serNum": 4370, "donAcc_type": "standard", "distance": 2.940, "atom1_id": "///C/20/O", "atom2_id": "///C/24/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 611, "atom1_serNum": 4340, "atom2_serNum": 4378, "donAcc_type": "standard", "distance": 3.827, "atom1_id": "///C/21/O", "atom2_id": "///C/25/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 612, "atom1_serNum": 4340, "atom2_serNum": 4578, "donAcc_type": "standard", "distance": 2.745, "atom1_id": "///C/21/O", "atom2_id": "///C/52/NE2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 613, "atom1_serNum": 4348, "atom2_serNum": 4569, "donAcc_type": "acceptable", "distance": 3.481, "atom1_id": "///C/21/OH", "atom2_id": "///C/52/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 614, "atom1_serNum": 4349, "atom2_serNum": 4356, "donAcc_type": "standard", "distance": 2.649, "atom1_id": "///C/22/N", "atom2_id": "///C/22/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 615, "atom1_serNum": 4352, "atom2_serNum": 4383, "donAcc_type": "standard", "distance": 2.903, "atom1_id": "///C/22/O", "atom2_id": "///C/26/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 616, "atom1_serNum": 4361, "atom2_serNum": 4388, "donAcc_type": "standard", "distance": 2.881, "atom1_id": "///C/23/O", "atom2_id": "///C/27/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 617, "atom1_serNum": 4361, "atom2_serNum": 4393, "donAcc_type": "acceptable", "distance": 3.187, "atom1_id": "///C/23/O", "atom2_id": "///C/27/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 618, "atom1_serNum": 4381, "atom2_serNum": 4394, "donAcc_type": "standard", "distance": 3.098, "atom1_id": "///C/25/O", "atom2_id": "///C/28/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 619, "atom1_serNum": 4393, "atom2_serNum": 4398, "donAcc_type": "acceptable", "distance": 3.225, "atom1_id": "///C/27/OG", "atom2_id": "///C/29/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 620, "atom1_serNum": 4406, "atom2_serNum": 4742, "donAcc_type": "standard", "distance": 2.945, "atom1_id": "///C/30/O", "atom2_id": "///C/74/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 621, "atom1_serNum": 4419, "atom2_serNum": 4727, "donAcc_type": "standard", "distance": 2.909, "atom1_id": "///C/32/N", "atom2_id": "///C/72/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 622, "atom1_serNum": 4422, "atom2_serNum": 4724, "donAcc_type": "standard", "distance": 2.891, "atom1_id": "///C/32/O", "atom2_id": "///C/72/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 623, "atom1_serNum": 4432, "atom2_serNum": 4715, "donAcc_type": "standard", "distance": 2.917, "atom1_id": "///C/34/N", "atom2_id": "///C/70/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 624, "atom1_serNum": 4435, "atom2_serNum": 4712, "donAcc_type": "standard", "distance": 2.903, "atom1_id": "///C/34/O", "atom2_id": "///C/70/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 625, "atom1_serNum": 4447, "atom2_serNum": 5017, "donAcc_type": "acceptable", "distance": 2.772, "atom1_id": "///C/35/NE2", "atom2_id": "///C/107/OG", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 626, "atom1_serNum": 4448, "atom2_serNum": 4704, "donAcc_type": "standard", "distance": 2.814, "atom1_id": "///C/36/N", "atom2_id": "///C/68/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 627, "atom1_serNum": 4456, "atom2_serNum": 4473, "donAcc_type": "standard", "distance": 3.400, "atom1_id": "///C/36/OE2", "atom2_id": "///C/38/NZ", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 628, "atom1_serNum": 4457, "atom2_serNum": 4704, "donAcc_type": "standard", "distance": 2.723, "atom1_id": "///C/37/N", "atom2_id": "///C/68/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 629, "atom1_serNum": 4465, "atom2_serNum": 4698, "donAcc_type": "standard", "distance": 2.480, "atom1_id": "///C/38/N", "atom2_id": "///C/67/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 630, "atom1_serNum": 4479, "atom2_serNum": 4509, "donAcc_type": "standard", "distance": 3.425, "atom1_id": "///C/40/N", "atom2_id": "///C/43/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 631, "atom1_serNum": 4482, "atom2_serNum": 4502, "donAcc_type": "standard", "distance": 2.986, "atom1_id": "///C/40/O", "atom2_id": "///C/43/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 632, "atom1_serNum": 4482, "atom2_serNum": 4510, "donAcc_type": "standard", "distance": 3.179, "atom1_id": "///C/40/O", "atom2_id": "///C/44/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 633, "atom1_serNum": 4486, "atom2_serNum": 4675, "donAcc_type": "standard", "distance": 3.318, "atom1_id": "///C/40/OE1", "atom2_id": "///C/64/NE", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 634, "atom1_serNum": 4487, "atom2_serNum": 4648, "donAcc_type": "standard", "distance": 3.497, "atom1_id": "///C/40/NE2", "atom2_id": "///C/61/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 635, "atom1_serNum": 4487, "atom2_serNum": 4653, "donAcc_type": "standard", "distance": 2.483, "atom1_id": "///C/40/NE2", "atom2_id": "///C/62/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 636, "atom1_serNum": 4488, "atom2_serNum": 4495, "donAcc_type": "standard", "distance": 2.550, "atom1_id": "///C/41/N", "atom2_id": "///C/41/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 637, "atom1_serNum": 4491, "atom2_serNum": 4553, "donAcc_type": "standard", "distance": 3.085, "atom1_id": "///C/41/O", "atom2_id": "///C/49/NZ", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 638, "atom1_serNum": 4508, "atom2_serNum": 4678, "donAcc_type": "standard", "distance": 3.241, "atom1_id": "///C/43/OD1", "atom2_id": "///C/64/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 639, "atom1_serNum": 4527, "atom2_serNum": 4554, "donAcc_type": "standard", "distance": 3.096, "atom1_id": "///C/46/O", "atom2_id": "///C/50/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 640, "atom1_serNum": 4540, "atom2_serNum": 4735, "donAcc_type": "acceptable", "distance": 2.980, "atom1_id": "///C/48/O", "atom2_id": "///C/72/OH", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 641, "atom1_serNum": 4557, "atom2_serNum": 4579, "donAcc_type": "standard", "distance": 3.363, "atom1_id": "///C/50/O", "atom2_id": "///C/53/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 642, "atom1_serNum": 4560, "atom2_serNum": 4586, "donAcc_type": "questionable", "distance": 3.318, "atom1_id": "///C/50/OD1", "atom2_id": "///C/54/O", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 643, "atom1_serNum": 4565, "atom2_serNum": 4583, "donAcc_type": "standard", "distance": 2.947, "atom1_id": "///C/51/O", "atom2_id": "///C/54/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 644, "atom1_serNum": 4591, "atom2_serNum": 4739, "donAcc_type": "standard", "distance": 2.896, "atom1_id": "///C/55/N", "atom2_id": "///C/73/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 645, "atom1_serNum": 4594, "atom2_serNum": 4736, "donAcc_type": "standard", "distance": 2.906, "atom1_id": "///C/55/O", "atom2_id": "///C/73/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 646, "atom1_serNum": 4605, "atom2_serNum": 4720, "donAcc_type": "standard", "distance": 2.936, "atom1_id": "///C/57/N", "atom2_id": "///C/71/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 647, "atom1_serNum": 4608, "atom2_serNum": 4717, "donAcc_type": "standard", "distance": 2.886, "atom1_id": "///C/57/O", "atom2_id": "///C/71/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 648, "atom1_serNum": 4629, "atom2_serNum": 4708, "donAcc_type": "standard", "distance": 3.028, "atom1_id": "///C/59/N", "atom2_id": "///C/69/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 649, "atom1_serNum": 4632, "atom2_serNum": 4705, "donAcc_type": "standard", "distance": 3.355, "atom1_id": "///C/59/O", "atom2_id": "///C/69/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 650, "atom1_serNum": 4635, "atom2_serNum": 4917, "donAcc_type": "acceptable", "distance": 3.297, "atom1_id": "///C/59/ND1", "atom2_id": "///C/95/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 651, "atom1_serNum": 4638, "atom2_serNum": 4874, "donAcc_type": "standard", "distance": 2.996, "atom1_id": "///C/59/NE2", "atom2_id": "///C/90/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 652, "atom1_serNum": 4650, "atom2_serNum": 4882, "donAcc_type": "standard", "distance": 3.037, "atom1_id": "///C/62/N", "atom2_id": "///C/91/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 653, "atom1_serNum": 4694, "atom2_serNum": 4897, "donAcc_type": "acceptable", "distance": 3.078, "atom1_id": "///C/66/OH", "atom2_id": "///C/92/OE1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 654, "atom1_serNum": 4694, "atom2_serNum": 4913, "donAcc_type": "acceptable", "distance": 2.990, "atom1_id": "///C/66/OH", "atom2_id": "///C/94/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 655, "atom1_serNum": 4694, "atom2_serNum": 5108, "donAcc_type": "acceptable", "distance": 2.964, "atom1_id": "///C/66/OH", "atom2_id": "///C/119/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 656, "atom1_serNum": 4700, "atom2_serNum": 4893, "donAcc_type": "acceptable", "distance": 2.594, "atom1_id": "///C/67/OG", "atom2_id": "///C/92/O", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 657, "atom1_serNum": 4700, "atom2_serNum": 4902, "donAcc_type": "acceptable", "distance": 2.759, "atom1_id": "///C/67/OG", "atom2_id": "///C/93/O", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 658, "atom1_serNum": 4701, "atom2_serNum": 4902, "donAcc_type": "standard", "distance": 3.133, "atom1_id": "///C/68/N", "atom2_id": "///C/93/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 659, "atom1_serNum": 4739, "atom2_serNum": 4741, "donAcc_type": "acceptable", "distance": 3.021, "atom1_id": "///C/73/O", "atom2_id": "///C/73/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 660, "atom1_serNum": 4741, "atom2_serNum": 4754, "donAcc_type": "acceptable", "distance": 2.659, "atom1_id": "///C/73/OG", "atom2_id": "///C/75/O", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 661, "atom1_serNum": 4761, "atom2_serNum": 4960, "donAcc_type": "standard", "distance": 3.174, "atom1_id": "///C/75/NH2", "atom2_id": "///C/100/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 662, "atom1_serNum": 4778, "atom2_serNum": 4952, "donAcc_type": "standard", "distance": 2.678, "atom1_id": "///C/78/N", "atom2_id": "///C/99/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 663, "atom1_serNum": 4785, "atom2_serNum": 4968, "donAcc_type": "standard", "distance": 2.597, "atom1_id": "///C/78/OD2", "atom2_id": "///C/101/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 664, "atom1_serNum": 4786, "atom2_serNum": 4952, "donAcc_type": "standard", "distance": 2.986, "atom1_id": "///C/79/N", "atom2_id": "///C/99/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 665, "atom1_serNum": 4789, "atom2_serNum": 4949, "donAcc_type": "standard", "distance": 2.840, "atom1_id": "///C/79/O", "atom2_id": "///C/99/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 666, "atom1_serNum": 4792, "atom2_serNum": 4794, "donAcc_type": "standard", "distance": 2.695, "atom1_id": "///C/79/OD1", "atom2_id": "///C/80/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 667, "atom1_serNum": 4801, "atom2_serNum": 4935, "donAcc_type": "standard", "distance": 2.886, "atom1_id": "///C/81/N", "atom2_id": "///C/97/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 668, "atom1_serNum": 4804, "atom2_serNum": 4932, "donAcc_type": "standard", "distance": 2.920, "atom1_id": "///C/81/O", "atom2_id": "///C/97/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 669, "atom1_serNum": 4818, "atom2_serNum": 4917, "donAcc_type": "standard", "distance": 3.149, "atom1_id": "///C/83/N", "atom2_id": "///C/95/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 670, "atom1_serNum": 4822, "atom2_serNum": 4877, "donAcc_type": "standard", "distance": 2.934, "atom1_id": "///C/84/N", "atom2_id": "///C/90/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 671, "atom1_serNum": 4830, "atom2_serNum": 4878, "donAcc_type": "standard", "distance": 3.065, "atom1_id": "///C/85/N", "atom2_id": "///C/90/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 672, "atom1_serNum": 4834, "atom2_serNum": 4878, "donAcc_type": "standard", "distance": 3.018, "atom1_id": "///C/86/N", "atom2_id": "///C/90/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 673, "atom1_serNum": 4845, "atom2_serNum": 4871, "donAcc_type": "standard", "distance": 2.872, "atom1_id": "///C/87/O", "atom2_id": "///C/90/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 674, "atom1_serNum": 4845, "atom2_serNum": 4879, "donAcc_type": "standard", "distance": 2.919, "atom1_id": "///C/87/O", "atom2_id": "///C/91/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 675, "atom1_serNum": 4859, "atom2_serNum": 5162, "donAcc_type": "standard", "distance": 3.334, "atom1_id": "///C/88/OE2", "atom2_id": "///C/125/NE", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 676, "atom1_serNum": 4863, "atom2_serNum": 4890, "donAcc_type": "standard", "distance": 3.262, "atom1_id": "///C/89/O", "atom2_id": "///C/92/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 677, "atom1_serNum": 4874, "atom2_serNum": 4899, "donAcc_type": "standard", "distance": 3.116, "atom1_id": "///C/90/O", "atom2_id": "///C/93/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 678, "atom1_serNum": 4897, "atom2_serNum": 4910, "donAcc_type": "standard", "distance": 3.146, "atom1_id": "///C/92/OE1", "atom2_id": "///C/94/NE", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 679, "atom1_serNum": 4897, "atom2_serNum": 4913, "donAcc_type": "standard", "distance": 3.384, "atom1_id": "///C/92/OE1", "atom2_id": "///C/94/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 680, "atom1_serNum": 4897, "atom2_serNum": 5107, "donAcc_type": "standard", "distance": 3.640, "atom1_id": "///C/92/OE1", "atom2_id": "///C/119/NH1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 681, "atom1_serNum": 4906, "atom2_serNum": 5026, "donAcc_type": "standard", "distance": 3.153, "atom1_id": "///C/94/O", "atom2_id": "///C/109/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 682, "atom1_serNum": 4912, "atom2_serNum": 5029, "donAcc_type": "standard", "distance": 2.880, "atom1_id": "///C/94/NH1", "atom2_id": "///C/109/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 683, "atom1_serNum": 4913, "atom2_serNum": 5108, "donAcc_type": "questionable", "distance": 3.361, "atom1_id": "///C/94/NH2", "atom2_id": "///C/119/NH2", "atom_pair": "N:N", "residue_pair": "aa:aa" }, { "index": 684, "atom1_serNum": 4925, "atom2_serNum": 5015, "donAcc_type": "standard", "distance": 2.980, "atom1_id": "///C/96/N", "atom2_id": "///C/107/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 685, "atom1_serNum": 4928, "atom2_serNum": 5012, "donAcc_type": "standard", "distance": 2.914, "atom1_id": "///C/96/O", "atom2_id": "///C/107/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 686, "atom1_serNum": 4939, "atom2_serNum": 4996, "donAcc_type": "acceptable", "distance": 2.949, "atom1_id": "///C/97/NE", "atom2_id": "///C/104/OG", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 687, "atom1_serNum": 4941, "atom2_serNum": 4955, "donAcc_type": "standard", "distance": 3.070, "atom1_id": "///C/97/NH1", "atom2_id": "///C/99/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 688, "atom1_serNum": 4941, "atom2_serNum": 4956, "donAcc_type": "standard", "distance": 2.904, "atom1_id": "///C/97/NH1", "atom2_id": "///C/99/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 689, "atom1_serNum": 4942, "atom2_serNum": 4996, "donAcc_type": "acceptable", "distance": 2.856, "atom1_id": "///C/97/NH2", "atom2_id": "///C/104/OG", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 690, "atom1_serNum": 4942, "atom2_serNum": 5290, "donAcc_type": "standard", "distance": 3.242, "atom1_id": "///C/97/NH2", "atom2_id": "///C/140/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 691, "atom1_serNum": 4943, "atom2_serNum": 5000, "donAcc_type": "standard", "distance": 2.889, "atom1_id": "///C/98/N", "atom2_id": "///C/105/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 692, "atom1_serNum": 4946, "atom2_serNum": 4997, "donAcc_type": "standard", "distance": 2.935, "atom1_id": "///C/98/O", "atom2_id": "///C/105/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 693, "atom1_serNum": 4955, "atom2_serNum": 4996, "donAcc_type": "acceptable", "distance": 2.853, "atom1_id": "///C/99/OD1", "atom2_id": "///C/104/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 694, "atom1_serNum": 4957, "atom2_serNum": 4986, "donAcc_type": "standard", "distance": 2.998, "atom1_id": "///C/100/N", "atom2_id": "///C/103/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 695, "atom1_serNum": 4960, "atom2_serNum": 4972, "donAcc_type": "standard", "distance": 3.365, "atom1_id": "///C/100/O", "atom2_id": "///C/102/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 696, "atom1_serNum": 4971, "atom2_serNum": 5305, "donAcc_type": "standard", "distance": 2.583, "atom1_id": "///C/101/O", "atom2_id": "///C/142/NH1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 697, "atom1_serNum": 4971, "atom2_serNum": 5306, "donAcc_type": "standard", "distance": 2.960, "atom1_id": "///C/101/O", "atom2_id": "///C/142/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 698, "atom1_serNum": 4981, "atom2_serNum": 5295, "donAcc_type": "standard", "distance": 3.174, "atom1_id": "///C/102/NH1", "atom2_id": "///C/141/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 699, "atom1_serNum": 4982, "atom2_serNum": 5295, "donAcc_type": "standard", "distance": 3.103, "atom1_id": "///C/102/NH2", "atom2_id": "///C/141/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 700, "atom1_serNum": 4991, "atom2_serNum": 5310, "donAcc_type": "standard", "distance": 2.916, "atom1_id": "///C/104/N", "atom2_id": "///C/143/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 701, "atom1_serNum": 4994, "atom2_serNum": 5323, "donAcc_type": "standard", "distance": 2.891, "atom1_id": "///C/104/O", "atom2_id": "///C/145/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 702, "atom1_serNum": 5004, "atom2_serNum": 5326, "donAcc_type": "standard", "distance": 2.897, "atom1_id": "///C/106/N", "atom2_id": "///C/145/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 703, "atom1_serNum": 5007, "atom2_serNum": 5337, "donAcc_type": "standard", "distance": 2.888, "atom1_id": "///C/106/O", "atom2_id": "///C/147/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 704, "atom1_serNum": 5018, "atom2_serNum": 5340, "donAcc_type": "standard", "distance": 2.935, "atom1_id": "///C/108/N", "atom2_id": "///C/147/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 705, "atom1_serNum": 5021, "atom2_serNum": 5347, "donAcc_type": "standard", "distance": 2.925, "atom1_id": "///C/108/O", "atom2_id": "///C/149/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 706, "atom1_serNum": 5037, "atom2_serNum": 7253, "donAcc_type": "acceptable", "distance": 3.083, "atom1_id": "///C/109/OH", "atom2_id": "///Y/36/OP2", "atom_pair": "O:O", "residue_pair": "aa:nt" }, { "index": 707, "atom1_serNum": 5038, "atom2_serNum": 5350, "donAcc_type": "standard", "distance": 2.815, "atom1_id": "///C/110/N", "atom2_id": "///C/149/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 708, "atom1_serNum": 5041, "atom2_serNum": 5376, "donAcc_type": "standard", "distance": 2.517, "atom1_id": "///C/110/O", "atom2_id": "///C/151/ND2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 709, "atom1_serNum": 5056, "atom2_serNum": 5108, "donAcc_type": "standard", "distance": 3.727, "atom1_id": "///C/112/O", "atom2_id": "///C/119/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 710, "atom1_serNum": 5058, "atom2_serNum": 5068, "donAcc_type": "acceptable", "distance": 3.319, "atom1_id": "///C/112/OG", "atom2_id": "///C/114/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 711, "atom1_serNum": 5062, "atom2_serNum": 5116, "donAcc_type": "questionable", "distance": 2.809, "atom1_id": "///C/113/O", "atom2_id": "///C/120/OE1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 712, "atom1_serNum": 5068, "atom2_serNum": 7262, "donAcc_type": "acceptable", "distance": 3.152, "atom1_id": "///C/114/OG", "atom2_id": "///Y/37/OP1", "atom_pair": "O:O", "residue_pair": "aa:nt" }, { "index": 713, "atom1_serNum": 5074, "atom2_serNum": 7233, "donAcc_type": "acceptable", "distance": 2.959, "atom1_id": "///C/115/OG", "atom2_id": "///Y/35/OP2", "atom_pair": "O:O", "residue_pair": "aa:nt" }, { "index": 714, "atom1_serNum": 5078, "atom2_serNum": 5109, "donAcc_type": "standard", "distance": 3.147, "atom1_id": "///C/116/O", "atom2_id": "///C/120/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 715, "atom1_serNum": 5083, "atom2_serNum": 5118, "donAcc_type": "standard", "distance": 2.899, "atom1_id": "///C/117/O", "atom2_id": "///C/121/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 716, "atom1_serNum": 5088, "atom2_serNum": 5126, "donAcc_type": "standard", "distance": 2.458, "atom1_id": "///C/117/OE2", "atom2_id": "///C/121/NE2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 717, "atom1_serNum": 5092, "atom2_serNum": 5127, "donAcc_type": "standard", "distance": 2.844, "atom1_id": "///C/118/O", "atom2_id": "///C/122/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 718, "atom1_serNum": 5096, "atom2_serNum": 5165, "donAcc_type": "standard", "distance": 3.583, "atom1_id": "///C/118/OE1", "atom2_id": "///C/125/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 719, "atom1_serNum": 5101, "atom2_serNum": 5134, "donAcc_type": "standard", "distance": 2.915, "atom1_id": "///C/119/O", "atom2_id": "///C/123/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 720, "atom1_serNum": 5105, "atom2_serNum": 7233, "donAcc_type": "standard", "distance": 2.971, "atom1_id": "///C/119/NE", "atom2_id": "///Y/35/OP2", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 721, "atom1_serNum": 5108, "atom2_serNum": 7232, "donAcc_type": "standard", "distance": 2.527, "atom1_id": "///C/119/NH2", "atom2_id": "///Y/35/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 722, "atom1_serNum": 5112, "atom2_serNum": 5143, "donAcc_type": "standard", "distance": 2.934, "atom1_id": "///C/120/O", "atom2_id": "///C/124/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 723, "atom1_serNum": 5116, "atom2_serNum": 5524, "donAcc_type": "acceptable", "distance": 2.734, "atom1_id": "///C/120/OE1", "atom2_id": "///C/169/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 724, "atom1_serNum": 5117, "atom2_serNum": 5572, "donAcc_type": "standard", "distance": 2.833, "atom1_id": "///C/120/NE2", "atom2_id": "///C/175/OE2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 725, "atom1_serNum": 5121, "atom2_serNum": 5155, "donAcc_type": "standard", "distance": 2.880, "atom1_id": "///C/121/O", "atom2_id": "///C/125/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 726, "atom1_serNum": 5130, "atom2_serNum": 5166, "donAcc_type": "standard", "distance": 2.869, "atom1_id": "///C/122/O", "atom2_id": "///C/126/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 727, "atom1_serNum": 5137, "atom2_serNum": 5177, "donAcc_type": "standard", "distance": 2.938, "atom1_id": "///C/123/O", "atom2_id": "///C/127/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 728, "atom1_serNum": 5142, "atom2_serNum": 5372, "donAcc_type": "standard", "distance": 2.993, "atom1_id": "///C/123/NZ", "atom2_id": "///C/151/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 729, "atom1_serNum": 5142, "atom2_serNum": 5524, "donAcc_type": "acceptable", "distance": 3.671, "atom1_id": "///C/123/NZ", "atom2_id": "///C/169/OG", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 730, "atom1_serNum": 5146, "atom2_serNum": 5185, "donAcc_type": "standard", "distance": 2.897, "atom1_id": "///C/124/O", "atom2_id": "///C/128/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 731, "atom1_serNum": 5158, "atom2_serNum": 5193, "donAcc_type": "standard", "distance": 2.849, "atom1_id": "///C/125/O", "atom2_id": "///C/129/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 732, "atom1_serNum": 5169, "atom2_serNum": 5193, "donAcc_type": "standard", "distance": 3.160, "atom1_id": "///C/126/O", "atom2_id": "///C/129/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 733, "atom1_serNum": 5169, "atom2_serNum": 5198, "donAcc_type": "standard", "distance": 2.877, "atom1_id": "///C/126/O", "atom2_id": "///C/130/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 734, "atom1_serNum": 5180, "atom2_serNum": 5209, "donAcc_type": "standard", "distance": 2.940, "atom1_id": "///C/127/O", "atom2_id": "///C/131/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 735, "atom1_serNum": 5201, "atom2_serNum": 5236, "donAcc_type": "standard", "distance": 3.166, "atom1_id": "///C/130/O", "atom2_id": "///C/134/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 736, "atom1_serNum": 5212, "atom2_serNum": 5236, "donAcc_type": "standard", "distance": 2.759, "atom1_id": "///C/131/O", "atom2_id": "///C/134/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 737, "atom1_serNum": 5212, "atom2_serNum": 5244, "donAcc_type": "standard", "distance": 3.103, "atom1_id": "///C/131/O", "atom2_id": "///C/135/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 738, "atom1_serNum": 5224, "atom2_serNum": 5253, "donAcc_type": "standard", "distance": 2.868, "atom1_id": "///C/132/O", "atom2_id": "///C/136/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 739, "atom1_serNum": 5231, "atom2_serNum": 5258, "donAcc_type": "standard", "distance": 2.858, "atom1_id": "///C/133/O", "atom2_id": "///C/137/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 740, "atom1_serNum": 5239, "atom2_serNum": 5266, "donAcc_type": "standard", "distance": 3.168, "atom1_id": "///C/134/O", "atom2_id": "///C/138/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 741, "atom1_serNum": 5247, "atom2_serNum": 5275, "donAcc_type": "standard", "distance": 3.020, "atom1_id": "///C/135/O", "atom2_id": "///C/139/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 742, "atom1_serNum": 5256, "atom2_serNum": 5283, "donAcc_type": "standard", "distance": 3.154, "atom1_id": "///C/136/O", "atom2_id": "///C/140/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 743, "atom1_serNum": 5261, "atom2_serNum": 5283, "donAcc_type": "standard", "distance": 3.256, "atom1_id": "///C/137/O", "atom2_id": "///C/140/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 744, "atom1_serNum": 5299, "atom2_serNum": 5315, "donAcc_type": "standard", "distance": 3.399, "atom1_id": "///C/142/O", "atom2_id": "///C/144/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 745, "atom1_serNum": 5299, "atom2_serNum": 6013, "donAcc_type": "acceptable", "distance": 3.890, "atom1_id": "///C/142/O", "atom2_id": "///C/226/OG1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 746, "atom1_serNum": 5313, "atom2_serNum": 6013, "donAcc_type": "acceptable", "distance": 3.893, "atom1_id": "///C/143/OD1", "atom2_id": "///C/226/OG1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 747, "atom1_serNum": 5314, "atom2_serNum": 6254, "donAcc_type": "acceptable", "distance": 2.378, "atom1_id": "///C/143/OD2", "atom2_id": "///C/256/OH", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 748, "atom1_serNum": 5315, "atom2_serNum": 6013, "donAcc_type": "acceptable", "distance": 3.331, "atom1_id": "///C/144/N", "atom2_id": "///C/226/OG1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 749, "atom1_serNum": 5318, "atom2_serNum": 6008, "donAcc_type": "standard", "distance": 3.300, "atom1_id": "///C/144/O", "atom2_id": "///C/226/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 750, "atom1_serNum": 5330, "atom2_serNum": 5996, "donAcc_type": "standard", "distance": 2.895, "atom1_id": "///C/146/N", "atom2_id": "///C/224/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 751, "atom1_serNum": 5333, "atom2_serNum": 5993, "donAcc_type": "standard", "distance": 2.910, "atom1_id": "///C/146/O", "atom2_id": "///C/224/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 752, "atom1_serNum": 5343, "atom2_serNum": 5975, "donAcc_type": "standard", "distance": 2.954, "atom1_id": "///C/148/N", "atom2_id": "///C/222/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 753, "atom1_serNum": 5346, "atom2_serNum": 5972, "donAcc_type": "standard", "distance": 2.900, "atom1_id": "///C/148/O", "atom2_id": "///C/222/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 754, "atom1_serNum": 5353, "atom2_serNum": 5369, "donAcc_type": "standard", "distance": 2.984, "atom1_id": "///C/149/OD1", "atom2_id": "///C/151/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 755, "atom1_serNum": 5355, "atom2_serNum": 5959, "donAcc_type": "standard", "distance": 2.859, "atom1_id": "///C/150/N", "atom2_id": "///C/220/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 756, "atom1_serNum": 5380, "atom2_serNum": 5983, "donAcc_type": "acceptable", "distance": 2.428, "atom1_id": "///C/152/O", "atom2_id": "///C/222/OH", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 757, "atom1_serNum": 5385, "atom2_serNum": 5528, "donAcc_type": "standard", "distance": 2.873, "atom1_id": "///C/153/N", "atom2_id": "///C/170/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 758, "atom1_serNum": 5390, "atom2_serNum": 5983, "donAcc_type": "acceptable", "distance": 3.248, "atom1_id": "///C/154/N", "atom2_id": "///C/222/OH", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 759, "atom1_serNum": 5393, "atom2_serNum": 5580, "donAcc_type": "standard", "distance": 3.375, "atom1_id": "///C/154/O", "atom2_id": "///C/176/NE", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 760, "atom1_serNum": 5396, "atom2_serNum": 5576, "donAcc_type": "acceptable", "distance": 3.235, "atom1_id": "///C/154/ND1", "atom2_id": "///C/176/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 761, "atom1_serNum": 5400, "atom2_serNum": 5432, "donAcc_type": "standard", "distance": 2.550, "atom1_id": "///C/155/N", "atom2_id": "///C/158/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 762, "atom1_serNum": 5403, "atom2_serNum": 5425, "donAcc_type": "standard", "distance": 2.935, "atom1_id": "///C/155/O", "atom2_id": "///C/158/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 763, "atom1_serNum": 5409, "atom2_serNum": 5415, "donAcc_type": "standard", "distance": 2.809, "atom1_id": "///C/156/N", "atom2_id": "///C/156/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 764, "atom1_serNum": 5412, "atom2_serNum": 5436, "donAcc_type": "questionable", "distance": 3.070, "atom1_id": "///C/156/O", "atom2_id": "///C/159/O", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 765, "atom1_serNum": 5428, "atom2_serNum": 5945, "donAcc_type": "standard", "distance": 2.842, "atom1_id": "///C/158/O", "atom2_id": "///C/219/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 766, "atom1_serNum": 5431, "atom2_serNum": 5735, "donAcc_type": "standard", "distance": 2.793, "atom1_id": "///C/158/OD1", "atom2_id": "///C/193/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 767, "atom1_serNum": 5431, "atom2_serNum": 5952, "donAcc_type": "standard", "distance": 2.910, "atom1_id": "///C/158/OD1", "atom2_id": "///C/219/NE", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 768, "atom1_serNum": 5441, "atom2_serNum": 5930, "donAcc_type": "standard", "distance": 3.353, "atom1_id": "///C/160/N", "atom2_id": "///C/217/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 769, "atom1_serNum": 5449, "atom2_serNum": 5906, "donAcc_type": "standard", "distance": 3.715, "atom1_id": "///C/160/NZ", "atom2_id": "///C/214/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 770, "atom1_serNum": 5453, "atom2_serNum": 5492, "donAcc_type": "standard", "distance": 2.848, "atom1_id": "///C/161/O", "atom2_id": "///C/165/ND2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 771, "atom1_serNum": 5456, "atom2_serNum": 5492, "donAcc_type": "standard", "distance": 3.137, "atom1_id": "///C/161/OD1", "atom2_id": "///C/165/ND2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 772, "atom1_serNum": 5456, "atom2_serNum": 7282, "donAcc_type": "questionable", "distance": 2.834, "atom1_id": "///C/161/OD1", "atom2_id": "///Y/38/OP2", "atom_pair": "O:O", "residue_pair": "aa:nt" }, { "index": 773, "atom1_serNum": 5480, "atom2_serNum": 6903, "donAcc_type": "standard", "distance": 3.005, "atom1_id": "///C/163/NZ", "atom2_id": "///W/41/OP2", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 774, "atom1_serNum": 5491, "atom2_serNum": 5518, "donAcc_type": "standard", "distance": 3.198, "atom1_id": "///C/165/OD1", "atom2_id": "///C/168/ND2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 775, "atom1_serNum": 5492, "atom2_serNum": 7282, "donAcc_type": "standard", "distance": 2.886, "atom1_id": "///C/165/ND2", "atom2_id": "///Y/38/OP2", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 776, "atom1_serNum": 5514, "atom2_serNum": 5529, "donAcc_type": "standard", "distance": 3.322, "atom1_id": "///C/168/O", "atom2_id": "///C/171/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 777, "atom1_serNum": 5525, "atom2_serNum": 5571, "donAcc_type": "standard", "distance": 3.042, "atom1_id": "///C/170/N", "atom2_id": "///C/175/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 778, "atom1_serNum": 5529, "atom2_serNum": 5571, "donAcc_type": "standard", "distance": 3.180, "atom1_id": "///C/171/N", "atom2_id": "///C/175/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 779, "atom1_serNum": 5540, "atom2_serNum": 5571, "donAcc_type": "standard", "distance": 3.024, "atom1_id": "///C/172/N", "atom2_id": "///C/175/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 780, "atom1_serNum": 5543, "atom2_serNum": 5573, "donAcc_type": "standard", "distance": 2.913, "atom1_id": "///C/172/O", "atom2_id": "///C/176/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 781, "atom1_serNum": 5551, "atom2_serNum": 5584, "donAcc_type": "standard", "distance": 2.927, "atom1_id": "///C/173/O", "atom2_id": "///C/177/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 782, "atom1_serNum": 5567, "atom2_serNum": 5593, "donAcc_type": "standard", "distance": 2.932, "atom1_id": "///C/175/O", "atom2_id": "///C/178/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 783, "atom1_serNum": 5567, "atom2_serNum": 5607, "donAcc_type": "standard", "distance": 2.943, "atom1_id": "///C/175/O", "atom2_id": "///C/179/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 784, "atom1_serNum": 5576, "atom2_serNum": 5615, "donAcc_type": "standard", "distance": 2.945, "atom1_id": "///C/176/O", "atom2_id": "///C/180/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 785, "atom1_serNum": 5587, "atom2_serNum": 5619, "donAcc_type": "standard", "distance": 2.924, "atom1_id": "///C/177/O", "atom2_id": "///C/181/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 786, "atom1_serNum": 5596, "atom2_serNum": 5628, "donAcc_type": "standard", "distance": 2.932, "atom1_id": "///C/178/O", "atom2_id": "///C/182/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 787, "atom1_serNum": 5610, "atom2_serNum": 5635, "donAcc_type": "standard", "distance": 2.925, "atom1_id": "///C/179/O", "atom2_id": "///C/183/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 788, "atom1_serNum": 5618, "atom2_serNum": 5643, "donAcc_type": "standard", "distance": 2.895, "atom1_id": "///C/180/O", "atom2_id": "///C/184/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 789, "atom1_serNum": 5622, "atom2_serNum": 5653, "donAcc_type": "standard", "distance": 2.864, "atom1_id": "///C/181/O", "atom2_id": "///C/185/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 790, "atom1_serNum": 5622, "atom2_serNum": 5662, "donAcc_type": "standard", "distance": 3.319, "atom1_id": "///C/181/O", "atom2_id": "///C/186/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 791, "atom1_serNum": 5631, "atom2_serNum": 5674, "donAcc_type": "standard", "distance": 3.366, "atom1_id": "///C/182/O", "atom2_id": "///C/188/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 792, "atom1_serNum": 5638, "atom2_serNum": 5677, "donAcc_type": "questionable", "distance": 3.013, "atom1_id": "///C/183/O", "atom2_id": "///C/188/O", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 793, "atom1_serNum": 5688, "atom2_serNum": 6004, "donAcc_type": "standard", "distance": 2.877, "atom1_id": "///C/189/N", "atom2_id": "///C/225/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 794, "atom1_serNum": 5691, "atom2_serNum": 5703, "donAcc_type": "standard", "distance": 2.828, "atom1_id": "///C/189/O", "atom2_id": "///C/191/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 795, "atom1_serNum": 5691, "atom2_serNum": 6001, "donAcc_type": "standard", "distance": 3.062, "atom1_id": "///C/189/O", "atom2_id": "///C/225/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 796, "atom1_serNum": 5698, "atom2_serNum": 5736, "donAcc_type": "standard", "distance": 3.031, "atom1_id": "///C/190/O", "atom2_id": "///C/194/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 797, "atom1_serNum": 5701, "atom2_serNum": 5954, "donAcc_type": "standard", "distance": 3.221, "atom1_id": "///C/190/OD1", "atom2_id": "///C/219/NH1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 798, "atom1_serNum": 5701, "atom2_serNum": 5955, "donAcc_type": "standard", "distance": 3.267, "atom1_id": "///C/190/OD1", "atom2_id": "///C/219/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 799, "atom1_serNum": 5702, "atom2_serNum": 5955, "donAcc_type": "standard", "distance": 2.222, "atom1_id": "///C/190/OD2", "atom2_id": "///C/219/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 800, "atom1_serNum": 5703, "atom2_serNum": 5987, "donAcc_type": "standard", "distance": 3.628, "atom1_id": "///C/191/N", "atom2_id": "///C/223/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 801, "atom1_serNum": 5706, "atom2_serNum": 5743, "donAcc_type": "standard", "distance": 2.903, "atom1_id": "///C/191/O", "atom2_id": "///C/195/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 802, "atom1_serNum": 5714, "atom2_serNum": 5751, "donAcc_type": "standard", "distance": 2.735, "atom1_id": "///C/192/O", "atom2_id": "///C/196/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 803, "atom1_serNum": 5719, "atom2_serNum": 5781, "donAcc_type": "standard", "distance": 3.181, "atom1_id": "///C/192/NE1", "atom2_id": "///C/199/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 804, "atom1_serNum": 5734, "atom2_serNum": 5754, "donAcc_type": "standard", "distance": 2.540, "atom1_id": "///C/193/NH1", "atom2_id": "///C/196/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 805, "atom1_serNum": 5734, "atom2_serNum": 5781, "donAcc_type": "standard", "distance": 2.830, "atom1_id": "///C/193/NH1", "atom2_id": "///C/199/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 806, "atom1_serNum": 5735, "atom2_serNum": 5781, "donAcc_type": "standard", "distance": 3.169, "atom1_id": "///C/193/NH2", "atom2_id": "///C/199/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 807, "atom1_serNum": 5735, "atom2_serNum": 5788, "donAcc_type": "standard", "distance": 3.483, "atom1_id": "///C/193/NH2", "atom2_id": "///C/200/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 808, "atom1_serNum": 5762, "atom2_serNum": 6079, "donAcc_type": "acceptable", "distance": 3.256, "atom1_id": "///C/196/OH", "atom2_id": "///C/236/O", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 809, "atom1_serNum": 5808, "atom2_serNum": 5934, "donAcc_type": "standard", "distance": 2.646, "atom1_id": "///C/203/N", "atom2_id": "///C/218/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 810, "atom1_serNum": 5811, "atom2_serNum": 6180, "donAcc_type": "standard", "distance": 2.730, "atom1_id": "///C/203/O", "atom2_id": "///C/248/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 811, "atom1_serNum": 5813, "atom2_serNum": 5956, "donAcc_type": "acceptable", "distance": 3.247, "atom1_id": "///C/203/OG1", "atom2_id": "///C/220/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 812, "atom1_serNum": 5813, "atom2_serNum": 5964, "donAcc_type": "acceptable", "distance": 3.153, "atom1_id": "///C/203/OG1", "atom2_id": "///C/221/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 813, "atom1_serNum": 5813, "atom2_serNum": 5970, "donAcc_type": "acceptable", "distance": 2.841, "atom1_id": "///C/203/OG1", "atom2_id": "///C/221/OD1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 814, "atom1_serNum": 5815, "atom2_serNum": 5934, "donAcc_type": "standard", "distance": 2.835, "atom1_id": "///C/204/N", "atom2_id": "///C/218/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 815, "atom1_serNum": 5818, "atom2_serNum": 5931, "donAcc_type": "standard", "distance": 2.644, "atom1_id": "///C/204/O", "atom2_id": "///C/218/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 816, "atom1_serNum": 5823, "atom2_serNum": 6169, "donAcc_type": "standard", "distance": 3.163, "atom1_id": "///C/204/NE1", "atom2_id": "///C/246/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 817, "atom1_serNum": 5829, "atom2_serNum": 6165, "donAcc_type": "standard", "distance": 3.379, "atom1_id": "///C/205/N", "atom2_id": "///C/246/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 818, "atom1_serNum": 5837, "atom2_serNum": 5918, "donAcc_type": "standard", "distance": 3.210, "atom1_id": "///C/205/NE1", "atom2_id": "///C/215/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 819, "atom1_serNum": 5855, "atom2_serNum": 7483, "donAcc_type": "standard", "distance": 2.404, "atom1_id": "///C/207/OD1", "atom2_id": "///Z/47/N2", "atom_pair": "O:N", "residue_pair": "aa:nt" }, { "index": 820, "atom1_serNum": 5856, "atom2_serNum": 7484, "donAcc_type": "standard", "distance": 3.036, "atom1_id": "///C/207/ND2", "atom2_id": "///Z/47/N3", "atom_pair": "N:N", "residue_pair": "aa:nt" }, { "index": 821, "atom1_serNum": 5860, "atom2_serNum": 5881, "donAcc_type": "standard", "distance": 3.166, "atom1_id": "///C/208/O", "atom2_id": "///C/211/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 822, "atom1_serNum": 5866, "atom2_serNum": 7267, "donAcc_type": "standard", "distance": 2.527, "atom1_id": "///C/208/NH1", "atom2_id": "///Y/37/O4'", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 823, "atom1_serNum": 5872, "atom2_serNum": 7302, "donAcc_type": "standard", "distance": 2.794, "atom1_id": "///C/210/N", "atom2_id": "///Y/39/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 824, "atom1_serNum": 5875, "atom2_serNum": 5903, "donAcc_type": "standard", "distance": 2.712, "atom1_id": "///C/210/O", "atom2_id": "///C/214/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 825, "atom1_serNum": 5884, "atom2_serNum": 5920, "donAcc_type": "standard", "distance": 2.648, "atom1_id": "///C/211/O", "atom2_id": "///C/216/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 826, "atom1_serNum": 5889, "atom2_serNum": 5912, "donAcc_type": "standard", "distance": 3.102, "atom1_id": "///C/212/O", "atom2_id": "///C/215/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 827, "atom1_serNum": 5911, "atom2_serNum": 7303, "donAcc_type": "standard", "distance": 2.881, "atom1_id": "///C/214/NZ", "atom2_id": "///Y/39/OP2", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 828, "atom1_serNum": 5939, "atom2_serNum": 7281, "donAcc_type": "standard", "distance": 2.829, "atom1_id": "///C/218/NE1", "atom2_id": "///Y/38/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 829, "atom1_serNum": 5948, "atom2_serNum": 5983, "donAcc_type": "acceptable", "distance": 3.778, "atom1_id": "///C/219/O", "atom2_id": "///C/222/OH", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 830, "atom1_serNum": 5970, "atom2_serNum": 6176, "donAcc_type": "acceptable", "distance": 2.996, "atom1_id": "///C/221/OD1", "atom2_id": "///C/247/ND1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 831, "atom1_serNum": 5987, "atom2_serNum": 6001, "donAcc_type": "standard", "distance": 3.266, "atom1_id": "///C/223/O", "atom2_id": "///C/225/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 832, "atom1_serNum": 5991, "atom2_serNum": 6234, "donAcc_type": "acceptable", "distance": 3.109, "atom1_id": "///C/223/OE1", "atom2_id": "///C/254/OH", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 833, "atom1_serNum": 5992, "atom2_serNum": 6195, "donAcc_type": "standard", "distance": 3.245, "atom1_id": "///C/223/NE2", "atom2_id": "///C/250/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 834, "atom1_serNum": 6011, "atom2_serNum": 6031, "donAcc_type": "standard", "distance": 3.082, "atom1_id": "///C/226/O", "atom2_id": "///C/229/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 835, "atom1_serNum": 6011, "atom2_serNum": 6039, "donAcc_type": "standard", "distance": 2.596, "atom1_id": "///C/226/O", "atom2_id": "///C/230/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 836, "atom1_serNum": 6018, "atom2_serNum": 6044, "donAcc_type": "standard", "distance": 2.899, "atom1_id": "///C/227/O", "atom2_id": "///C/231/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 837, "atom1_serNum": 6022, "atom2_serNum": 6029, "donAcc_type": "standard", "distance": 2.844, "atom1_id": "///C/228/N", "atom2_id": "///C/228/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 838, "atom1_serNum": 6034, "atom2_serNum": 6049, "donAcc_type": "standard", "distance": 2.776, "atom1_id": "///C/229/O", "atom2_id": "///C/232/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 839, "atom1_serNum": 6034, "atom2_serNum": 6058, "donAcc_type": "standard", "distance": 3.387, "atom1_id": "///C/229/O", "atom2_id": "///C/233/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 840, "atom1_serNum": 6042, "atom2_serNum": 6058, "donAcc_type": "standard", "distance": 3.213, "atom1_id": "///C/230/O", "atom2_id": "///C/233/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 841, "atom1_serNum": 6052, "atom2_serNum": 6235, "donAcc_type": "standard", "distance": 2.836, "atom1_id": "///C/232/O", "atom2_id": "///C/255/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 842, "atom1_serNum": 6063, "atom2_serNum": 6217, "donAcc_type": "standard", "distance": 3.095, "atom1_id": "///C/234/N", "atom2_id": "///C/253/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 843, "atom1_serNum": 6073, "atom2_serNum": 6214, "donAcc_type": "standard", "distance": 2.938, "atom1_id": "///C/235/O", "atom2_id": "///C/253/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 844, "atom1_serNum": 6081, "atom2_serNum": 6203, "donAcc_type": "standard", "distance": 2.898, "atom1_id": "///C/237/N", "atom2_id": "///C/251/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 845, "atom1_serNum": 6084, "atom2_serNum": 6200, "donAcc_type": "standard", "distance": 2.899, "atom1_id": "///C/237/O", "atom2_id": "///C/251/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 846, "atom1_serNum": 6098, "atom2_serNum": 6188, "donAcc_type": "standard", "distance": 2.933, "atom1_id": "///C/239/N", "atom2_id": "///C/249/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 847, "atom1_serNum": 6161, "atom2_serNum": 6168, "donAcc_type": "acceptable", "distance": 2.779, "atom1_id": "///C/245/OG", "atom2_id": "///C/246/OD1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 848, "atom1_serNum": 6161, "atom2_serNum": 6170, "donAcc_type": "acceptable", "distance": 2.866, "atom1_id": "///C/245/OG", "atom2_id": "///C/247/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 849, "atom1_serNum": 6162, "atom2_serNum": 6168, "donAcc_type": "standard", "distance": 2.605, "atom1_id": "///C/246/N", "atom2_id": "///C/246/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 850, "atom1_serNum": 6179, "atom2_serNum": 7252, "donAcc_type": "standard", "distance": 3.947, "atom1_id": "///C/247/NE2", "atom2_id": "///Y/36/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 851, "atom1_serNum": 6226, "atom2_serNum": 6243, "donAcc_type": "standard", "distance": 2.778, "atom1_id": "///C/254/O", "atom2_id": "///C/256/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 852, "atom1_serNum": 6287, "atom2_serNum": 6709, "donAcc_type": "standard", "distance": 2.913, "atom1_id": "///U/31/O6", "atom2_id": "///V/52/N4", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 853, "atom1_serNum": 6288, "atom2_serNum": 6707, "donAcc_type": "standard", "distance": 2.891, "atom1_id": "///U/31/N1", "atom2_id": "///V/52/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 854, "atom1_serNum": 6290, "atom2_serNum": 6706, "donAcc_type": "standard", "distance": 2.903, "atom1_id": "///U/31/N2", "atom2_id": "///V/52/O2", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 855, "atom1_serNum": 6306, "atom2_serNum": 6690, "donAcc_type": "standard", "distance": 2.888, "atom1_id": "///U/32/O2", "atom2_id": "///V/51/N2", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 856, "atom1_serNum": 6307, "atom2_serNum": 6688, "donAcc_type": "standard", "distance": 2.905, "atom1_id": "///U/32/N3", "atom2_id": "///V/51/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 857, "atom1_serNum": 6309, "atom2_serNum": 6687, "donAcc_type": "standard", "distance": 2.892, "atom1_id": "///U/32/N4", "atom2_id": "///V/51/O6", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 858, "atom1_serNum": 6326, "atom2_serNum": 6667, "donAcc_type": "standard", "distance": 2.881, "atom1_id": "///U/33/N3", "atom2_id": "///V/50/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 859, "atom1_serNum": 6328, "atom2_serNum": 6666, "donAcc_type": "standard", "distance": 2.916, "atom1_id": "///U/33/O4", "atom2_id": "///V/50/N6", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 860, "atom1_serNum": 6348, "atom2_serNum": 6646, "donAcc_type": "standard", "distance": 2.919, "atom1_id": "///U/34/N6", "atom2_id": "///V/49/O4", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 861, "atom1_serNum": 6349, "atom2_serNum": 6644, "donAcc_type": "standard", "distance": 2.872, "atom1_id": "///U/34/N1", "atom2_id": "///V/49/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 862, "atom1_serNum": 6366, "atom2_serNum": 6627, "donAcc_type": "standard", "distance": 2.873, "atom1_id": "///U/35/O2", "atom2_id": "///V/48/N2", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 863, "atom1_serNum": 6367, "atom2_serNum": 6625, "donAcc_type": "standard", "distance": 2.911, "atom1_id": "///U/35/N3", "atom2_id": "///V/48/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 864, "atom1_serNum": 6369, "atom2_serNum": 6624, "donAcc_type": "standard", "distance": 2.908, "atom1_id": "///U/35/N4", "atom2_id": "///V/48/O6", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 865, "atom1_serNum": 6396, "atom2_serNum": 6583, "donAcc_type": "standard", "distance": 2.564, "atom1_id": "///U/37/O2", "atom2_id": "///V/46/N2", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 866, "atom1_serNum": 6397, "atom2_serNum": 6581, "donAcc_type": "standard", "distance": 3.307, "atom1_id": "///U/37/N3", "atom2_id": "///V/46/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 867, "atom1_serNum": 6397, "atom2_serNum": 6583, "donAcc_type": "standard", "distance": 3.240, "atom1_id": "///U/37/N3", "atom2_id": "///V/46/N2", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 868, "atom1_serNum": 6399, "atom2_serNum": 6580, "donAcc_type": "standard", "distance": 3.935, "atom1_id": "///U/37/N4", "atom2_id": "///V/46/O6", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 869, "atom1_serNum": 6418, "atom2_serNum": 6560, "donAcc_type": "standard", "distance": 3.486, "atom1_id": "///U/38/N6", "atom2_id": "///V/45/O4", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 870, "atom1_serNum": 6419, "atom2_serNum": 6558, "donAcc_type": "standard", "distance": 3.185, "atom1_id": "///U/38/N1", "atom2_id": "///V/45/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 871, "atom1_serNum": 6437, "atom2_serNum": 6540, "donAcc_type": "standard", "distance": 2.912, "atom1_id": "///U/39/N3", "atom2_id": "///V/44/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 872, "atom1_serNum": 6439, "atom2_serNum": 6539, "donAcc_type": "standard", "distance": 2.895, "atom1_id": "///U/39/O4", "atom2_id": "///V/44/N6", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 873, "atom1_serNum": 6456, "atom2_serNum": 6520, "donAcc_type": "standard", "distance": 2.665, "atom1_id": "///U/40/O2", "atom2_id": "///V/43/N2", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 874, "atom1_serNum": 6457, "atom2_serNum": 6518, "donAcc_type": "standard", "distance": 2.939, "atom1_id": "///U/40/N3", "atom2_id": "///V/43/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 875, "atom1_serNum": 6459, "atom2_serNum": 6498, "donAcc_type": "questionable", "distance": 3.125, "atom1_id": "///U/40/N4", "atom2_id": "///V/42/N4", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 876, "atom1_serNum": 6459, "atom2_serNum": 6517, "donAcc_type": "standard", "distance": 3.418, "atom1_id": "///U/40/N4", "atom2_id": "///V/43/O6", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 877, "atom1_serNum": 6479, "atom2_serNum": 6496, "donAcc_type": "standard", "distance": 3.123, "atom1_id": "///U/41/N1", "atom2_id": "///V/42/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 878, "atom1_serNum": 6481, "atom2_serNum": 6495, "donAcc_type": "standard", "distance": 2.660, "atom1_id": "///U/41/N2", "atom2_id": "///V/42/O2", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 879, "atom1_serNum": 6481, "atom2_serNum": 6496, "donAcc_type": "standard", "distance": 2.934, "atom1_id": "///U/41/N2", "atom2_id": "///V/42/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 880, "atom1_serNum": 6726, "atom2_serNum": 7148, "donAcc_type": "standard", "distance": 2.896, "atom1_id": "///W/31/O6", "atom2_id": "///X/52/N4", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 881, "atom1_serNum": 6727, "atom2_serNum": 7146, "donAcc_type": "standard", "distance": 2.906, "atom1_id": "///W/31/N1", "atom2_id": "///X/52/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 882, "atom1_serNum": 6729, "atom2_serNum": 7145, "donAcc_type": "standard", "distance": 2.913, "atom1_id": "///W/31/N2", "atom2_id": "///X/52/O2", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 883, "atom1_serNum": 6745, "atom2_serNum": 7129, "donAcc_type": "standard", "distance": 2.881, "atom1_id": "///W/32/O2", "atom2_id": "///X/51/N2", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 884, "atom1_serNum": 6746, "atom2_serNum": 7127, "donAcc_type": "standard", "distance": 2.903, "atom1_id": "///W/32/N3", "atom2_id": "///X/51/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 885, "atom1_serNum": 6748, "atom2_serNum": 7126, "donAcc_type": "standard", "distance": 2.902, "atom1_id": "///W/32/N4", "atom2_id": "///X/51/O6", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 886, "atom1_serNum": 6765, "atom2_serNum": 7106, "donAcc_type": "standard", "distance": 2.867, "atom1_id": "///W/33/N3", "atom2_id": "///X/50/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 887, "atom1_serNum": 6767, "atom2_serNum": 7105, "donAcc_type": "standard", "distance": 2.926, "atom1_id": "///W/33/O4", "atom2_id": "///X/50/N6", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 888, "atom1_serNum": 6787, "atom2_serNum": 7085, "donAcc_type": "standard", "distance": 2.908, "atom1_id": "///W/34/N6", "atom2_id": "///X/49/O4", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 889, "atom1_serNum": 6788, "atom2_serNum": 7083, "donAcc_type": "standard", "distance": 2.890, "atom1_id": "///W/34/N1", "atom2_id": "///X/49/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 890, "atom1_serNum": 6805, "atom2_serNum": 7064, "donAcc_type": "standard", "distance": 3.208, "atom1_id": "///W/35/O2", "atom2_id": "///X/48/N1", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 891, "atom1_serNum": 6805, "atom2_serNum": 7066, "donAcc_type": "standard", "distance": 2.882, "atom1_id": "///W/35/O2", "atom2_id": "///X/48/N2", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 892, "atom1_serNum": 6806, "atom2_serNum": 7064, "donAcc_type": "standard", "distance": 3.384, "atom1_id": "///W/35/N3", "atom2_id": "///X/48/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 893, "atom1_serNum": 6835, "atom2_serNum": 7022, "donAcc_type": "standard", "distance": 2.999, "atom1_id": "///W/37/O2", "atom2_id": "///X/46/N2", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 894, "atom1_serNum": 6836, "atom2_serNum": 7022, "donAcc_type": "standard", "distance": 2.482, "atom1_id": "///W/37/N3", "atom2_id": "///X/46/N2", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 895, "atom1_serNum": 6857, "atom2_serNum": 6999, "donAcc_type": "standard", "distance": 3.812, "atom1_id": "///W/38/N6", "atom2_id": "///X/45/O4", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 896, "atom1_serNum": 6858, "atom2_serNum": 6997, "donAcc_type": "standard", "distance": 3.716, "atom1_id": "///W/38/N1", "atom2_id": "///X/45/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 897, "atom1_serNum": 6876, "atom2_serNum": 6979, "donAcc_type": "standard", "distance": 3.315, "atom1_id": "///W/39/N3", "atom2_id": "///X/44/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 898, "atom1_serNum": 6878, "atom2_serNum": 6978, "donAcc_type": "standard", "distance": 3.731, "atom1_id": "///W/39/O4", "atom2_id": "///X/44/N6", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 899, "atom1_serNum": 6895, "atom2_serNum": 6959, "donAcc_type": "standard", "distance": 2.911, "atom1_id": "///W/40/O2", "atom2_id": "///X/43/N2", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 900, "atom1_serNum": 6896, "atom2_serNum": 6957, "donAcc_type": "standard", "distance": 2.875, "atom1_id": "///W/40/N3", "atom2_id": "///X/43/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 901, "atom1_serNum": 6898, "atom2_serNum": 6937, "donAcc_type": "questionable", "distance": 3.027, "atom1_id": "///W/40/N4", "atom2_id": "///X/42/N4", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 902, "atom1_serNum": 6898, "atom2_serNum": 6956, "donAcc_type": "standard", "distance": 2.915, "atom1_id": "///W/40/N4", "atom2_id": "///X/43/O6", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 903, "atom1_serNum": 6917, "atom2_serNum": 6937, "donAcc_type": "standard", "distance": 2.897, "atom1_id": "///W/41/O6", "atom2_id": "///X/42/N4", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 904, "atom1_serNum": 6918, "atom2_serNum": 6935, "donAcc_type": "standard", "distance": 2.907, "atom1_id": "///W/41/N1", "atom2_id": "///X/42/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 905, "atom1_serNum": 6920, "atom2_serNum": 6934, "donAcc_type": "standard", "distance": 2.904, "atom1_id": "///W/41/N2", "atom2_id": "///X/42/O2", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 906, "atom1_serNum": 6924, "atom2_serNum": 7348, "donAcc_type": "questionable", "distance": 2.777, "atom1_id": "///X/42/O5'", "atom2_id": "///Y/41/O3'", "atom_pair": "O:O", "residue_pair": "nt:nt" }, { "index": 907, "atom1_serNum": 7166, "atom2_serNum": 7587, "donAcc_type": "questionable", "distance": 3.250, "atom1_id": "///Y/31/N1", "atom2_id": "///Z/52/N4", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 908, "atom1_serNum": 7168, "atom2_serNum": 7584, "donAcc_type": "standard", "distance": 3.180, "atom1_id": "///Y/31/N2", "atom2_id": "///Z/52/O2", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 909, "atom1_serNum": 7168, "atom2_serNum": 7585, "donAcc_type": "standard", "distance": 3.023, "atom1_id": "///Y/31/N2", "atom2_id": "///Z/52/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 910, "atom1_serNum": 7184, "atom2_serNum": 7568, "donAcc_type": "standard", "distance": 2.947, "atom1_id": "///Y/32/O2", "atom2_id": "///Z/51/N2", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 911, "atom1_serNum": 7185, "atom2_serNum": 7566, "donAcc_type": "standard", "distance": 3.207, "atom1_id": "///Y/32/N3", "atom2_id": "///Z/51/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 912, "atom1_serNum": 7187, "atom2_serNum": 7565, "donAcc_type": "standard", "distance": 3.381, "atom1_id": "///Y/32/N4", "atom2_id": "///Z/51/O6", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 913, "atom1_serNum": 7204, "atom2_serNum": 7545, "donAcc_type": "standard", "distance": 2.868, "atom1_id": "///Y/33/N3", "atom2_id": "///Z/50/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 914, "atom1_serNum": 7206, "atom2_serNum": 7544, "donAcc_type": "standard", "distance": 2.921, "atom1_id": "///Y/33/O4", "atom2_id": "///Z/50/N6", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 915, "atom1_serNum": 7226, "atom2_serNum": 7524, "donAcc_type": "standard", "distance": 2.912, "atom1_id": "///Y/34/N6", "atom2_id": "///Z/49/O4", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 916, "atom1_serNum": 7227, "atom2_serNum": 7522, "donAcc_type": "standard", "distance": 2.891, "atom1_id": "///Y/34/N1", "atom2_id": "///Z/49/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 917, "atom1_serNum": 7244, "atom2_serNum": 7505, "donAcc_type": "standard", "distance": 2.893, "atom1_id": "///Y/35/O2", "atom2_id": "///Z/48/N2", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 918, "atom1_serNum": 7245, "atom2_serNum": 7503, "donAcc_type": "standard", "distance": 2.922, "atom1_id": "///Y/35/N3", "atom2_id": "///Z/48/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 919, "atom1_serNum": 7247, "atom2_serNum": 7502, "donAcc_type": "standard", "distance": 2.898, "atom1_id": "///Y/35/N4", "atom2_id": "///Z/48/O6", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 920, "atom1_serNum": 7274, "atom2_serNum": 7461, "donAcc_type": "standard", "distance": 2.550, "atom1_id": "///Y/37/O2", "atom2_id": "///Z/46/N2", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 921, "atom1_serNum": 7275, "atom2_serNum": 7461, "donAcc_type": "standard", "distance": 3.021, "atom1_id": "///Y/37/N3", "atom2_id": "///Z/46/N2", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 922, "atom1_serNum": 7296, "atom2_serNum": 7438, "donAcc_type": "standard", "distance": 3.803, "atom1_id": "///Y/38/N6", "atom2_id": "///Z/45/O4", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 923, "atom1_serNum": 7297, "atom2_serNum": 7436, "donAcc_type": "standard", "distance": 3.352, "atom1_id": "///Y/38/N1", "atom2_id": "///Z/45/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 924, "atom1_serNum": 7315, "atom2_serNum": 7418, "donAcc_type": "standard", "distance": 3.036, "atom1_id": "///Y/39/N3", "atom2_id": "///Z/44/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 925, "atom1_serNum": 7317, "atom2_serNum": 7417, "donAcc_type": "standard", "distance": 3.406, "atom1_id": "///Y/39/O4", "atom2_id": "///Z/44/N6", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 926, "atom1_serNum": 7334, "atom2_serNum": 7398, "donAcc_type": "standard", "distance": 2.912, "atom1_id": "///Y/40/O2", "atom2_id": "///Z/43/N2", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 927, "atom1_serNum": 7335, "atom2_serNum": 7396, "donAcc_type": "standard", "distance": 2.863, "atom1_id": "///Y/40/N3", "atom2_id": "///Z/43/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 928, "atom1_serNum": 7337, "atom2_serNum": 7376, "donAcc_type": "questionable", "distance": 3.233, "atom1_id": "///Y/40/N4", "atom2_id": "///Z/42/N4", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 929, "atom1_serNum": 7337, "atom2_serNum": 7395, "donAcc_type": "standard", "distance": 2.921, "atom1_id": "///Y/40/N4", "atom2_id": "///Z/43/O6", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 930, "atom1_serNum": 7356, "atom2_serNum": 7376, "donAcc_type": "standard", "distance": 2.892, "atom1_id": "///Y/41/O6", "atom2_id": "///Z/42/N4", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 931, "atom1_serNum": 7357, "atom2_serNum": 7374, "donAcc_type": "standard", "distance": 2.909, "atom1_id": "///Y/41/N1", "atom2_id": "///Z/42/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 932, "atom1_serNum": 7359, "atom2_serNum": 7373, "donAcc_type": "standard", "distance": 2.910, "atom1_id": "///Y/41/N2", "atom2_id": "///Z/42/O2", "atom_pair": "N:O", "residue_pair": "nt:nt" } ], "refCoords": { "purine": [ " 12 ATOMS, 12 BONDS", " 1 N -2.2500 5.0000 0.4000", " 2 N -2.2500 -0.5000 0.4000", " 3 N -2.2500 -0.5000 -0.4000", " 4 N -2.2500 5.0000 -0.4000", " 5 C 1.2500 5.0000 0.4000", " 6 C 1.2500 -0.5000 0.4000", " 7 C 1.2500 -0.5000 -0.4000", " 8 C 1.2500 5.0000 -0.4000", " 9 C -2.2500 5.0000 0.4000", " 10 C -2.2500 -0.5000 0.4000", " 11 C -2.2500 -0.5000 -0.4000", " 12 C -2.2500 5.0000 -0.4000", " 1 1 2", " 2 2 3", " 3 3 4", " 4 4 1", " 5 5 6", " 6 6 7", " 7 7 8", " 8 5 8", " 9 9 5", " 10 10 6", " 11 11 7", " 12 12 8" ], "pyrimidine": [ " 12 ATOMS, 12 BONDS", " 1 N -2.2500 5.0000 0.4000", " 2 N -2.2500 1.0000 0.4000", " 3 N -2.2500 1.0000 -0.4000", " 4 N -2.2500 5.0000 -0.4000", " 5 C 1.2500 5.0000 0.4000", " 6 C 1.2500 1.0000 0.4000", " 7 C 1.2500 1.0000 -0.4000", " 8 C 1.2500 5.0000 -0.4000", " 9 C -2.2500 5.0000 0.4000", " 10 C -2.2500 1.0000 0.4000", " 11 C -2.2500 1.0000 -0.4000", " 12 C -2.2500 5.0000 -0.4000", " 1 1 2", " 2 2 3", " 3 3 4", " 4 4 1", " 5 5 6", " 6 6 7", " 7 7 8", " 8 5 8", " 9 9 5", " 10 10 6", " 11 11 7", " 12 12 8" ], "wc_pair": [ " 12 ATOMS, 12 BONDS", " 1 N -2.2500 5.0000 0.4000", " 2 N -2.2500 -5.0000 0.4000", " 3 N -2.2500 -5.0000 -0.4000", " 4 N -2.2500 5.0000 -0.4000", " 5 C 2.2500 5.0000 0.4000", " 6 C 2.2500 -5.0000 0.4000", " 7 C 2.2500 -5.0000 -0.4000", " 8 C 2.2500 5.0000 -0.4000", " 9 C -2.2500 5.0000 0.4000", " 10 C -2.2500 -5.0000 0.4000", " 11 C -2.2500 -5.0000 -0.4000", " 12 C -2.2500 5.0000 -0.4000", " 1 1 2", " 2 2 3", " 3 3 4", " 4 4 1", " 5 5 6", " 6 6 7", " 7 7 8", " 8 5 8", " 9 9 5", " 10 10 6", " 11 11 7", " 12 12 8" ] }, "metadata": { "license": "http://innovation.columbia.edu/technologies/CU20391", "url": "http://x3dna.org/", "url_alt": "http://home.x3dna.org/", "forum": "http://forum.x3dna.org/", "citation": "Lu et al. (2015). 'DSSR: an integrated software tool for dissecting the spatial structure of RNA.' Nucleic Acids Res., 43(21):e142 [doi:10.1093/nar/gkv716].", "str_id": "4b5g", "num_aaChains": 3, "aaChains": "A=259,B=259,C=259", "num_naChains": 6, "naChains": "U=11,V=11,W=11,X=11,Y=11,Z=11", "num_atoms": 7584, "num_waters": 3, "num_notes": 52, "notes": [ { "Aminors": "A-minor interactions (including types I and II)" }, { "Cstem_index": "stem index of the 'Canonical' helix in k-turn" }, { "Cstem_pair": "Cstem bp delineating the k-turn internal loop" }, { "Dp": "perpendicular distance of the 3' P atom to the glycosidic bond" }, { "GA_pair": "sheared G-A pair in k-turn" }, { "HtypePknot": "H-type pseudoknot" }, { "Kturn": "kink-turn (k-turn)" }, { "LW": "Leontis-Westhof" }, { "NCstem_index": "stem index of the 'Non-Canonical' helix in k-turn" }, { "NCstem_pair": "NCstem bp delineating the k-turn internal loop" }, { "Uturn": "U-turn of the UNR- or GNRA-type" }, { "aa": "amino acid" }, { "atom_pair": "symbols of the two atoms involved in an H-bond" }, { "auxfiles": "auxiliary files" }, { "glyco_bond": "conformation of base related to sugar (syn or anti)" }, { "bb_type": "backbone conformation, BI or BII" }, { "bending_angle": "angle between two helical axes" }, { "bp": "base pair" }, { "bseq": "base sequence in one-letter code" }, { "bulge": "bulge loop" }, { "coaxStacks": "coaxial stacking of stems within a helix" }, { "dbn": "dot bracket notation" }, { "desc": "description" }, { "donAcc_type": "donor/acceptor type of the atom pair in an H-bond" }, { "epsilon_zeta": "difference between epsilon and zeta torsion angles" }, { "hairpin": "hairpin loop" }, { "hbond": "hydrogen bond (H-bond)" }, { "helix": "defined by base-stacking interactions, regardless of bp type and backbone connectivity" }, { "id": "identifier" }, { "iloop": "internal loop" }, { "index": "serial number" }, { "isoCanonPairs": "isolated canonical pairs" }, { "junction": "(multi-branched) junction loop" }, { "kissingLoop": "kissing loop" }, { "multiplet": "3+ bases in a coplanar geometry" }, { "na": "nucleic acid" }, { "nonPair": "two nts not forming a pair, but with H-bonding/stacking interactions" }, { "nonStack": "nucleotide not involved in stacking interactions" }, { "nt": "nucleotide" }, { "num": "number" }, { "oArea": "overlap areas between two bases, including exocyclic atoms" }, { "oArea_ring": "overlap areas between two bases, including only ring atoms" }, { "phosContacts": "H-bonding and atom-capping interactions involving a phosphate" }, { "residue_pair": "types of the two residues involved in an H-bond" }, { "rmsd": "root-mean-squares deviation" }, { "serNum": "serial number" }, { "ssSegments": "single-stranded segments not involved in loops" }, { "ssZp": "Z-coordinate of the 3' phosphorus atom with reference to the 5' base plane" }, { "sstr": "secondary structure in dbn" }, { "stem": "helix consisting of only canonical pairs, with a continuous backbone" }, { "str_id": "structure identifier, derived from inpfile with extension removed" }, { "vert_dist": "vertical distance from an atom to a base plane" } ], "num_auxfiles": 13, "auxfiles": [ { "index": 1, "name": "dssr-pairs.pdb", "desc": "an ensemble of base pairs" }, { "index": 2, "name": "dssr-stems.pdb", "desc": "an ensemble of stems" }, { "index": 3, "name": "dssr-helices.pdb", "desc": "an ensemble of helices (coaxial stacking)" }, { "index": 4, "name": "dssr-iloops.pdb", "desc": "an ensemble of internal loops" }, { "index": 5, "name": "dssr-2ndstrs.bpseq", "desc": "secondary structure in bpseq format" }, { "index": 6, "name": "dssr-2ndstrs.ct", "desc": "secondary structure in connectivity table format" }, { "index": 7, "name": "dssr-2ndstrs.dbn", "desc": "secondary structure in dot-bracket notation" }, { "index": 8, "name": "dssr-torsions.txt", "desc": "backbone torsion angles and suite names" }, { "index": 9, "name": "dssr-stacks.pdb", "desc": "an ensemble of base stacks" }, { "index": 10, "name": "dssr-rotmat.txt", "desc": "position vector and rotation matrix" }, { "index": 11, "name": "dssr-viewV.pdb", "desc": "vertical view of the principal moment of inertia" }, { "index": 12, "name": "dssr-viewH.pdb", "desc": "horizontal view of the principal moment of inertia" }, { "index": 13, "name": "dssr-viewT.pdb", "desc": "top view of the principal moment of inertia" } ], "time_used": "999" } }