{ "num_pairs": 16, "pairs": [ { "index": 1, "nt1": "///T/1", "nt2": "///D/5", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -127.733, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 52.523, "chi2": -92.348, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 53.982, "C1C1_dist": 10.745, "N1N9_dist": 8.984, "C6C8_dist": 9.884, "CNNC_torsion": -6.177, "hbonds_num": 3, "hbonds_desc": "O2(carbonyl)-N2(amino)[2.81],N3-N1(imino)[2.93],N4(amino)-O6(carbonyl)[2.94]", "interBase_angle": 17.042, "planarity": 0.210, "simple_Shear": -0.069, "simple_Stretch": -0.042, "simple_Buckle": -16.892, "simple_Propeller": -2.260, "bp_simpleParams": [ -0.069, -0.042, 0.445, -16.892, -2.260, -0.819 ], "bp_params": [ -0.069, -0.043, 0.445, -16.869, -2.422, -0.810 ], "frame": { "rmsd": null, "origin": [ 29.187, 2.160, -9.342 ], "x_axis": [ -0.091, -0.990, 0.107 ], "y_axis": [ 0.878, -0.029, 0.478 ], "z_axis": [ -0.470, 0.138, 0.872 ], "quaternion": [ 0.662, 0.129, -0.218, -0.706 ] } }, { "index": 2, "nt1": "///T/2", "nt2": "///D/4", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -84.666, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 57.021, "chi2": -88.678, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 52.869, "C1C1_dist": 10.588, "N1N9_dist": 8.906, "C6C8_dist": 9.876, "CNNC_torsion": -10.894, "hbonds_num": 3, "hbonds_desc": "O2(carbonyl)-N2(amino)[2.77],N3-N1(imino)[2.93],N4(amino)-O6(carbonyl)[2.99]", "interBase_angle": 6.614, "planarity": 0.105, "simple_Shear": 0.574, "simple_Stretch": -0.151, "simple_Buckle": -0.690, "simple_Propeller": -6.578, "bp_simpleParams": [ 0.574, -0.151, 0.313, -0.690, -6.578, 1.092 ], "bp_params": [ 0.565, -0.181, 0.313, -1.035, -6.532, 1.093 ], "frame": { "rmsd": null, "origin": [ 28.135, 2.654, -6.489 ], "x_axis": [ 0.446, -0.852, 0.275 ], "y_axis": [ 0.750, 0.524, 0.405 ], "z_axis": [ -0.489, 0.026, 0.872 ], "quaternion": [ 0.843, 0.112, -0.227, -0.475 ] } }, { "index": 3, "nt1": "///T/3", "nt2": "///D/3", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -91.231, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 53.573, "chi2": -94.153, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 54.001, "C1C1_dist": 10.674, "N1N9_dist": 8.934, "C6C8_dist": 9.876, "CNNC_torsion": -11.673, "hbonds_num": 3, "hbonds_desc": "O6(carbonyl)-N4(amino)[2.92],N1(imino)-N3[2.88],N2(amino)-O2(carbonyl)[2.74]", "interBase_angle": 11.787, "planarity": 0.143, "simple_Shear": -0.266, "simple_Stretch": -0.146, "simple_Buckle": -4.738, "simple_Propeller": -10.793, "bp_simpleParams": [ -0.266, -0.146, 0.021, -4.738, -10.793, 0.619 ], "bp_params": [ -0.263, -0.151, 0.021, -4.509, -10.890, 0.621 ], "frame": { "rmsd": null, "origin": [ 27.414, 4.406, -3.010 ], "x_axis": [ 0.811, -0.322, 0.488 ], "y_axis": [ 0.311, 0.945, 0.106 ], "z_axis": [ -0.495, 0.065, 0.866 ], "quaternion": [ 0.952, 0.011, -0.258, -0.166 ] } }, { "index": 4, "nt1": "///T/4", "nt2": "///D/2", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -98.657, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 51.439, "chi2": -109.792, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 53.432, "C1C1_dist": 10.849, "N1N9_dist": 9.054, "C6C8_dist": 9.947, "CNNC_torsion": -12.612, "hbonds_num": 2, "hbonds_desc": "N6(amino)-O4(carbonyl)[3.06],N1-N3(imino)[3.01]", "interBase_angle": 12.960, "planarity": 0.161, "simple_Shear": -0.107, "simple_Stretch": 0.016, "simple_Buckle": 9.557, "simple_Propeller": -8.754, "bp_simpleParams": [ -0.107, 0.016, 0.211, 9.557, -8.754, -2.868 ], "bp_params": [ -0.107, 0.015, 0.211, 9.649, -8.652, -2.866 ], "frame": { "rmsd": null, "origin": [ 25.972, 4.735, -0.464 ], "x_axis": [ 0.857, 0.227, 0.463 ], "y_axis": [ -0.157, 0.970, -0.186 ], "z_axis": [ -0.491, 0.087, 0.867 ], "quaternion": [ 0.961, -0.071, -0.248, 0.100 ] } }, { "index": 5, "nt1": "///T/5", "nt2": "///D/1", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -105.496, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 55.483, "chi2": -110.159, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 52.627, "C1C1_dist": 10.722, "N1N9_dist": 8.992, "C6C8_dist": 9.906, "CNNC_torsion": 3.946, "hbonds_num": 3, "hbonds_desc": "O2(carbonyl)-N2(amino)[2.86],N3-N1(imino)[2.99],N4(amino)-O6(carbonyl)[3.00]", "interBase_angle": 17.288, "planarity": 0.219, "simple_Shear": 0.311, "simple_Stretch": -0.014, "simple_Buckle": 17.246, "simple_Propeller": 1.204, "bp_simpleParams": [ 0.311, -0.014, -0.338, 17.246, 1.204, -0.078 ], "bp_params": [ 0.311, -0.022, -0.338, 17.272, 0.735, -0.077 ], "frame": { "rmsd": null, "origin": [ 25.468, 4.970, 2.830 ], "x_axis": [ 0.685, 0.674, 0.278 ], "y_axis": [ -0.594, 0.737, -0.322 ], "z_axis": [ -0.422, 0.055, 0.905 ], "quaternion": [ 0.912, -0.103, -0.192, 0.348 ] } }, { "index": 6, "nt1": "///T/6", "nt2": "///A/404", "bp": "A-t", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -90.640, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 55.643, "chi2": -148.501, "conf2": "anti", "pucker2": "~C3'-endo", "lambda2": 56.598, "C1C1_dist": 10.352, "N1N9_dist": 8.787, "C6C8_dist": 9.811, "CNNC_torsion": 6.440, "hbonds_num": 2, "hbonds_desc": "N6(amino)-O4(carbonyl)[3.03],N1-N3(imino)[2.75]", "interBase_angle": 11.320, "planarity": 0.142, "simple_Shear": 0.105, "simple_Stretch": -0.150, "simple_Buckle": -6.135, "simple_Propeller": 9.513, "bp_simpleParams": [ 0.105, -0.150, -0.028, -6.135, 9.513, 2.456 ], "bp_params": [ 0.102, -0.152, -0.028, -5.962, 9.623, 2.461 ], "frame": { "rmsd": null, "origin": [ 10.836, 8.601, 8.187 ], "x_axis": [ 0.731, -0.230, 0.643 ], "y_axis": [ 0.683, 0.244, -0.689 ], "z_axis": [ 0.002, 0.942, 0.335 ], "quaternion": [ 0.760, -0.537, -0.211, -0.300 ] } }, { "index": 7, "nt1": "///T/7", "nt2": "///P/10", "bp": "G-c", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -112.790, "conf1": "anti", "pucker1": "----", "lambda1": 57.007, "chi2": -176.145, "conf2": "anti", "pucker2": "~C3'-endo", "lambda2": 52.769, "C1C1_dist": 10.619, "N1N9_dist": 8.908, "C6C8_dist": 9.881, "CNNC_torsion": -8.331, "hbonds_num": 3, "hbonds_desc": "O6(carbonyl)-N4(amino)[2.92],N1(imino)-N3[2.83],N2(amino)-O2(carbonyl)[2.65]", "interBase_angle": 9.101, "planarity": 0.121, "simple_Shear": 0.046, "simple_Stretch": -0.142, "simple_Buckle": 8.314, "simple_Propeller": -3.703, "bp_simpleParams": [ 0.046, -0.142, 0.374, 8.314, -3.703, 1.337 ], "bp_params": [ 0.045, -0.142, 0.374, 8.284, -3.768, 1.334 ], "frame": { "rmsd": null, "origin": [ 11.330, 11.155, 9.928 ], "x_axis": [ 0.915, -0.338, 0.220 ], "y_axis": [ 0.327, 0.302, -0.895 ], "z_axis": [ 0.236, 0.891, 0.387 ], "quaternion": [ 0.807, -0.554, 0.005, -0.206 ] } }, { "index": 8, "nt1": "///T/8", "nt2": "///P/9", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -105.309, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 54.329, "chi2": -110.250, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 52.246, "C1C1_dist": 10.602, "N1N9_dist": 8.853, "C6C8_dist": 9.769, "CNNC_torsion": 3.049, "hbonds_num": 3, "hbonds_desc": "O2(carbonyl)-N2(amino)[2.73],N3-N1(imino)[2.80],N4(amino)-O6(carbonyl)[2.79]", "interBase_angle": 3.971, "planarity": 0.055, "simple_Shear": 0.299, "simple_Stretch": -0.253, "simple_Buckle": 3.827, "simple_Propeller": -1.059, "bp_simpleParams": [ 0.299, -0.253, -0.267, 3.827, -1.059, -0.761 ], "bp_params": [ 0.293, -0.261, -0.267, 3.800, -1.153, -0.761 ], "frame": { "rmsd": null, "origin": [ 12.447, 13.740, 12.099 ], "x_axis": [ 0.942, -0.154, -0.298 ], "y_axis": [ -0.158, 0.577, -0.801 ], "z_axis": [ 0.296, 0.802, 0.520 ], "quaternion": [ 0.872, -0.460, 0.170, 0.001 ] } }, { "index": 9, "nt1": "///T/9", "nt2": "///P/8", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -110.892, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 52.545, "chi2": -117.948, "conf2": "anti", "pucker2": "----", "lambda2": 54.296, "C1C1_dist": 10.679, "N1N9_dist": 8.921, "C6C8_dist": 9.847, "CNNC_torsion": -3.042, "hbonds_num": 3, "hbonds_desc": "O6(carbonyl)-N4(amino)[2.87],N1(imino)-N3[2.86],N2(amino)-O2(carbonyl)[2.77]", "interBase_angle": 2.044, "planarity": 0.030, "simple_Shear": -0.299, "simple_Stretch": -0.176, "simple_Buckle": 0.529, "simple_Propeller": -1.975, "bp_simpleParams": [ -0.299, -0.176, -0.015, 0.529, -1.975, -0.060 ], "bp_params": [ -0.295, -0.184, -0.015, 0.579, -1.961, -0.060 ], "frame": { "rmsd": null, "origin": [ 12.564, 16.626, 14.266 ], "x_axis": [ 0.643, 0.082, -0.761 ], "y_axis": [ -0.675, 0.529, -0.514 ], "z_axis": [ 0.360, 0.845, 0.396 ], "quaternion": [ 0.801, -0.424, 0.350, 0.236 ] } }, { "index": 10, "nt1": "///T/10", "nt2": "///P/7", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -109.120, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 54.303, "chi2": -112.032, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 52.385, "C1C1_dist": 10.610, "N1N9_dist": 8.844, "C6C8_dist": 9.746, "CNNC_torsion": -12.411, "hbonds_num": 3, "hbonds_desc": "O2(carbonyl)-N2(amino)[2.72],N3-N1(imino)[2.80],N4(amino)-O6(carbonyl)[2.79]", "interBase_angle": 9.849, "planarity": 0.129, "simple_Shear": 0.358, "simple_Stretch": -0.258, "simple_Buckle": 7.166, "simple_Propeller": -6.756, "bp_simpleParams": [ 0.358, -0.258, 0.036, 7.166, -6.756, -0.947 ], "bp_params": [ 0.351, -0.269, 0.036, 6.968, -6.960, -0.947 ], "frame": { "rmsd": null, "origin": [ 13.917, 19.121, 15.880 ], "x_axis": [ 0.173, 0.303, -0.937 ], "y_axis": [ -0.913, 0.406, -0.037 ], "z_axis": [ 0.370, 0.862, 0.347 ], "quaternion": [ 0.694, -0.324, 0.471, 0.438 ] } }, { "index": 11, "nt1": "///T/11", "nt2": "///P/6", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -105.757, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 57.086, "chi2": -107.353, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 54.675, "C1C1_dist": 10.456, "N1N9_dist": 8.800, "C6C8_dist": 9.858, "CNNC_torsion": -12.840, "hbonds_num": 2, "hbonds_desc": "N6(amino)-O4(carbonyl)[3.16],N1-N3(imino)[2.79]", "interBase_angle": 11.954, "planarity": 0.161, "simple_Shear": 0.220, "simple_Stretch": -0.093, "simple_Buckle": -1.693, "simple_Propeller": -11.833, "bp_simpleParams": [ 0.220, -0.093, 0.037, -1.693, -11.833, 4.753 ], "bp_params": [ 0.217, -0.099, 0.037, -2.027, -11.781, 4.778 ], "frame": { "rmsd": null, "origin": [ 15.470, 22.087, 16.725 ], "x_axis": [ -0.474, 0.369, -0.800 ], "y_axis": [ -0.810, 0.174, 0.560 ], "z_axis": [ 0.346, 0.913, 0.217 ], "quaternion": [ 0.479, -0.184, 0.598, 0.616 ] } }, { "index": 12, "nt1": "///T/12", "nt2": "///P/5", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -121.608, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 55.777, "chi2": -113.051, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 54.691, "C1C1_dist": 10.675, "N1N9_dist": 9.002, "C6C8_dist": 10.028, "CNNC_torsion": -9.692, "hbonds_num": 2, "hbonds_desc": "N3(imino)-N1[3.01],O4(carbonyl)-N6(amino)[3.25]", "interBase_angle": 12.197, "planarity": 0.158, "simple_Shear": 0.112, "simple_Stretch": 0.064, "simple_Buckle": 2.161, "simple_Propeller": -12.004, "bp_simpleParams": [ 0.112, 0.064, -0.002, 2.161, -12.004, 2.948 ], "bp_params": [ 0.113, 0.064, -0.002, 2.088, -12.017, 2.964 ], "frame": { "rmsd": null, "origin": [ 16.958, 24.901, 16.885 ], "x_axis": [ -0.819, 0.391, -0.420 ], "y_axis": [ -0.470, -0.037, 0.882 ], "z_axis": [ 0.330, 0.920, 0.214 ], "quaternion": [ 0.299, -0.031, 0.626, 0.719 ] } }, { "index": 13, "nt1": "///T/13", "nt2": "///P/4", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -115.010, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 54.322, "chi2": -109.258, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 52.868, "C1C1_dist": 10.685, "N1N9_dist": 8.938, "C6C8_dist": 9.875, "CNNC_torsion": -8.086, "hbonds_num": 3, "hbonds_desc": "O2(carbonyl)-N2(amino)[2.83],N3-N1(imino)[2.89],N4(amino)-O6(carbonyl)[2.90]", "interBase_angle": 12.709, "planarity": 0.151, "simple_Shear": 0.294, "simple_Stretch": -0.148, "simple_Buckle": 4.577, "simple_Propeller": -11.857, "bp_simpleParams": [ 0.294, -0.148, -0.223, 4.577, -11.857, 0.531 ], "bp_params": [ 0.291, -0.155, -0.223, 4.292, -11.963, 0.533 ], "frame": { "rmsd": null, "origin": [ 17.777, 27.944, 17.368 ], "x_axis": [ -0.951, 0.255, 0.175 ], "y_axis": [ 0.128, -0.191, 0.973 ], "z_axis": [ 0.282, 0.948, 0.149 ], "quaternion": [ 0.042, 0.151, 0.635, 0.757 ] } }, { "index": 14, "nt1": "///T/14", "nt2": "///P/3", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -106.242, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 53.522, "chi2": -101.193, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 54.769, "C1C1_dist": 10.637, "N1N9_dist": 8.903, "C6C8_dist": 9.870, "CNNC_torsion": -10.793, "hbonds_num": 2, "hbonds_desc": "N6(amino)-O4(carbonyl)[3.06],N1-N3(imino)[2.91]", "interBase_angle": 11.048, "planarity": 0.151, "simple_Shear": -0.137, "simple_Stretch": -0.078, "simple_Buckle": -4.737, "simple_Propeller": -9.981, "bp_simpleParams": [ -0.137, -0.078, 0.032, -4.737, -9.981, 0.538 ], "bp_params": [ -0.136, -0.079, 0.032, -4.657, -10.019, 0.540 ], "frame": { "rmsd": null, "origin": [ 18.977, 31.206, 18.042 ], "x_axis": [ -0.752, -0.060, 0.656 ], "y_axis": [ 0.644, -0.279, 0.713 ], "z_axis": [ 0.140, 0.958, 0.248 ], "quaternion": [ -0.233, 0.264, 0.553, 0.755 ] } }, { "index": 15, "nt1": "///T/15", "nt2": "///P/2", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -110.200, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 53.074, "chi2": -122.653, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 49.767, "C1C1_dist": 10.919, "N1N9_dist": 9.065, "C6C8_dist": 9.900, "CNNC_torsion": -9.590, "hbonds_num": 3, "hbonds_desc": "O6(carbonyl)-N4(amino)[2.74],N1(imino)-N3[2.90],N2(amino)-O2(carbonyl)[2.97]", "interBase_angle": 8.974, "planarity": 0.118, "simple_Shear": 0.105, "simple_Stretch": -0.132, "simple_Buckle": 1.583, "simple_Propeller": -8.833, "bp_simpleParams": [ 0.105, -0.132, 0.169, 1.583, -8.833, -4.634 ], "bp_params": [ 0.103, -0.133, 0.169, 1.453, -8.856, -4.647 ], "frame": { "rmsd": null, "origin": [ 19.275, 34.287, 18.800 ], "x_axis": [ -0.301, -0.296, 0.906 ], "y_axis": [ 0.944, -0.229, 0.239 ], "z_axis": [ 0.137, 0.927, 0.348 ], "quaternion": [ -0.452, 0.381, 0.425, 0.685 ] } }, { "index": 16, "nt1": "///T/16", "nt2": "///P/1", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -119.078, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 53.317, "chi2": -160.631, "conf2": "anti", "pucker2": "~C3'-endo", "lambda2": 55.506, "C1C1_dist": 10.571, "N1N9_dist": 8.867, "C6C8_dist": 9.846, "CNNC_torsion": -16.140, "hbonds_num": 3, "hbonds_desc": "O2(carbonyl)-N2(amino)[2.67],N3-N1(imino)[2.85],N4(amino)-O6(carbonyl)[3.01]", "interBase_angle": 17.872, "planarity": 0.230, "simple_Shear": 0.078, "simple_Stretch": -0.141, "simple_Buckle": 9.650, "simple_Propeller": -15.043, "bp_simpleParams": [ 0.078, -0.141, 0.213, 9.650, -15.043, 1.851 ], "bp_params": [ 0.078, -0.141, 0.213, 9.662, -15.035, 1.860 ], "frame": { "rmsd": null, "origin": [ 19.013, 36.767, 20.691 ], "x_axis": [ 0.257, -0.483, 0.837 ], "y_axis": [ 0.957, 0.006, -0.290 ], "z_axis": [ 0.135, 0.875, 0.464 ], "quaternion": [ 0.657, -0.443, -0.267, -0.548 ] } } ], "num_helices": 2, "helices": [ { "index": 1, "num_stems": 1, "strand1": "CCGAC", "strand2": "GGCTG", "bp_type": "|||||", "helix_form": "B.BB", "helical_rise": 3.544, "helical_rise_std": 0.292, "helical_radius": 9.566, "helical_radius_std": 1.699, "helical_axis": [ -0.447, 0.165, 0.879 ], "point1": [ 30.837, 4.403, -9.761 ], "point2": [ 24.456, 6.757, 2.806 ], "num_pairs": 5, "pairs": [ { "index": 1, "nt1": "///T/1", "nt2": "///D/5", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.069, -0.043, 0.445, -16.869, -2.422, -0.810 ], "step_params": [ -0.121, 0.501, 3.037, 2.535, 5.968, 33.167 ], "heli_params": [ -0.047, 0.594, 3.061, 10.331, -4.388, 33.777 ], "bp2_params": [ 0.565, -0.181, 0.313, -1.035, -6.532, 1.093 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.037, "simple_Twist": 29.631, "simple_hRise": 3.057, "simple_hTwist": 30.316 }, { "index": 2, "nt1": "///T/2", "nt2": "///D/4", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.565, -0.181, 0.313, -1.035, -6.532, 1.093 ], "step_params": [ -0.148, 1.925, 3.459, -1.469, -1.783, 39.572 ], "heli_params": [ 3.056, 0.038, 3.376, -2.631, 2.167, 39.637 ], "bp2_params": [ -0.263, -0.151, 0.021, -4.509, -10.890, 0.621 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.459, "simple_Twist": 44.261, "simple_hRise": 3.386, "simple_hTwist": 44.318 }, { "index": 3, "nt1": "///T/3", "nt2": "///D/3", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.263, -0.151, 0.021, -4.509, -10.890, 0.621 ], "step_params": [ 0.001, 0.105, 2.943, -1.265, 0.135, 32.030 ], "heli_params": [ 0.169, -0.207, 2.941, 0.244, 2.291, 32.055 ], "bp2_params": [ -0.107, 0.015, 0.211, 9.649, -8.652, -2.866 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 2.943, "simple_Twist": 31.124, "simple_hRise": 2.941, "simple_hTwist": 31.149 }, { "index": 4, "nt1": "///T/4", "nt2": "///D/2", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.107, 0.015, 0.211, 9.649, -8.652, -2.866 ], "step_params": [ 0.943, -0.487, 3.168, 3.744, 3.181, 29.575 ], "heli_params": [ -1.585, -1.067, 3.191, 6.178, -7.271, 29.972 ], "bp2_params": [ 0.311, -0.022, -0.338, 17.272, 0.735, -0.077 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.168, "simple_Twist": 27.315, "simple_hRise": 3.189, "simple_hTwist": 27.745 }, { "index": 5, "nt1": "///T/5", "nt2": "///D/1", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W" } ] }, { "index": 2, "num_stems": 1, "strand1": "AGCGCATCAGC", "strand2": "tcGCGTAGTCG", "bp_type": "|||||||||||", "helix_form": "xBBBBBBBBB", "helical_rise": 3.303, "helical_rise_std": 0.381, "helical_radius": 9.837, "helical_radius_std": 0.777, "helical_axis": [ 0.268, 0.912, 0.311 ], "point1": [ 11.233, 6.884, 10.392 ], "point2": [ 20.145, 37.249, 20.759 ], "num_pairs": 11, "pairs": [ { "index": 1, "nt1": "///T/6", "nt2": "///A/404", "bp": "A-t", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.102, -0.152, -0.028, -5.962, 9.623, 2.461 ], "step_params": [ 0.466, -0.518, 3.052, -3.748, 13.623, 23.842 ], "heli_params": [ -4.011, -1.779, 2.323, 29.854, 8.214, 27.662 ], "bp2_params": [ 0.045, -0.142, 0.374, 8.284, -3.768, 1.334 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.052, "simple_Twist": 23.844, "simple_hRise": 2.323, "simple_hTwist": 27.664 }, { "index": 2, "nt1": "///T/7", "nt2": "///P/10", "bp": "G-c", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.045, -0.142, 0.374, 8.284, -3.768, 1.334 ], "step_params": [ 0.254, -0.674, 3.482, 8.795, 4.297, 31.743 ], "heli_params": [ -1.948, 1.125, 3.316, 7.632, -15.621, 33.181 ], "bp2_params": [ 0.293, -0.261, -0.267, 3.800, -1.153, -0.761 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.482, "simple_Twist": 30.024, "simple_hRise": 3.298, "simple_hTwist": 31.544 }, { "index": 3, "nt1": "///T/8", "nt2": "///P/9", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.293, -0.261, -0.267, 3.800, -1.153, -0.761 ], "step_params": [ -1.172, 0.064, 3.416, -4.707, 6.952, 34.268 ], "heli_params": [ -1.000, 1.188, 3.487, 11.585, 7.843, 35.251 ], "bp2_params": [ -0.295, -0.184, -0.015, 0.579, -1.961, -0.060 ], "groove_widths": [ null, null, 20.821, null ], "simple_Rise": 3.416, "simple_Twist": 37.656, "simple_hRise": 3.489, "simple_hTwist": 38.548 }, { "index": 4, "nt1": "///T/9", "nt2": "///P/8", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.295, -0.184, -0.015, 0.579, -1.961, -0.060 ], "step_params": [ -0.345, -0.389, 3.223, -0.843, 2.881, 31.743 ], "heli_params": [ -1.223, 0.477, 3.184, 5.252, 1.537, 31.881 ], "bp2_params": [ 0.351, -0.269, 0.036, 6.968, -6.960, -0.947 ], "groove_widths": [ 13.691, null, 17.593, 17.468 ], "simple_Rise": 3.223, "simple_Twist": 28.300, "simple_hRise": 3.177, "simple_hTwist": 28.456 }, { "index": 5, "nt1": "///T/10", "nt2": "///P/7", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.351, -0.269, 0.036, 6.968, -6.960, -0.947 ], "step_params": [ 0.032, -0.355, 3.434, -0.066, 8.148, 37.964 ], "heli_params": [ -1.570, -0.057, 3.291, 12.350, 0.101, 38.797 ], "bp2_params": [ 0.217, -0.099, 0.037, -2.027, -11.781, 4.778 ], "groove_widths": [ 12.786, 12.395, 16.016, 15.333 ], "simple_Rise": 3.434, "simple_Twist": 38.333, "simple_hRise": 3.294, "simple_hTwist": 39.158 }, { "index": 6, "nt1": "///T/11", "nt2": "///P/6", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.217, -0.099, 0.037, -2.027, -11.781, 4.778 ], "step_params": [ 0.015, -0.673, 3.115, -0.550, 0.861, 29.732 ], "heli_params": [ -1.481, -0.138, 3.094, 1.677, 1.072, 29.749 ], "bp2_params": [ 0.113, 0.064, -0.002, 2.088, -12.017, 2.964 ], "groove_widths": [ 12.424, 12.151, 18.192, 17.466 ], "simple_Rise": 3.115, "simple_Twist": 30.672, "simple_hRise": 3.095, "simple_hTwist": 30.689 }, { "index": 7, "nt1": "///T/12", "nt2": "///P/5", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.113, 0.064, -0.002, 2.088, -12.017, 2.964 ], "step_params": [ 0.180, -0.073, 3.182, 3.365, 3.593, 36.222 ], "heli_params": [ -0.600, 0.165, 3.164, 5.747, -5.381, 36.544 ], "bp2_params": [ 0.291, -0.155, -0.223, 4.292, -11.963, 0.533 ], "groove_widths": [ 12.554, 12.426, 17.719, 16.689 ], "simple_Rise": 3.182, "simple_Twist": 35.105, "simple_hRise": 3.163, "simple_hTwist": 35.437 }, { "index": 8, "nt1": "///T/13", "nt2": "///P/4", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.291, -0.155, -0.223, 4.292, -11.963, 0.533 ], "step_params": [ -0.430, 0.185, 3.510, -1.616, 9.824, 34.103 ], "heli_params": [ -1.259, 0.448, 3.446, 16.325, 2.686, 35.485 ], "bp2_params": [ -0.136, -0.079, 0.032, -4.657, -10.019, 0.540 ], "groove_widths": [ 13.190, null, 17.128, null ], "simple_Rise": 3.510, "simple_Twist": 36.175, "simple_hRise": 3.457, "simple_hTwist": 37.476 }, { "index": 9, "nt1": "///T/14", "nt2": "///P/3", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.136, -0.079, 0.032, -4.657, -10.019, 0.540 ], "step_params": [ -0.093, -0.233, 3.177, -3.168, 5.088, 32.578 ], "heli_params": [ -1.239, -0.354, 3.101, 8.976, 5.588, 33.110 ], "bp2_params": [ 0.103, -0.133, 0.169, 1.453, -8.856, -4.647 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.177, "simple_Twist": 31.663, "simple_hRise": 3.097, "simple_hTwist": 32.211 }, { "index": 10, "nt1": "///T/15", "nt2": "///P/2", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.103, -0.133, 0.169, 1.453, -8.856, -4.647 ], "step_params": [ 0.720, -0.657, 2.974, -0.050, 7.285, 33.729 ], "heli_params": [ -2.113, -1.221, 2.775, 12.376, 0.085, 34.484 ], "bp2_params": [ 0.078, -0.141, 0.213, 9.662, -15.035, 1.860 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 2.974, "simple_Twist": 33.897, "simple_hRise": 2.776, "simple_hTwist": 34.649 }, { "index": 11, "nt1": "///T/16", "nt2": "///P/1", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W" } ] } ], "num_stems": 2, "stems": [ { "index": 1, "helix_index": 1, "strand1": "CCGAC", "strand2": "GGCTG", "bp_type": "|||||", "helix_form": "B.BB", "helical_rise": 3.544, "helical_rise_std": 0.292, "helical_radius": 9.566, "helical_radius_std": 1.699, "helical_axis": [ -0.447, 0.165, 0.879 ], "point1": [ 30.837, 4.403, -9.761 ], "point2": [ 24.456, 6.757, 2.806 ], "num_pairs": 5, "pairs": [ { "index": 1, "nt1": "///T/1", "nt2": "///D/5", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.069, -0.043, 0.445, -16.869, -2.422, -0.810 ], "step_params": [ -0.121, 0.501, 3.037, 2.535, 5.968, 33.167 ], "heli_params": [ -0.047, 0.594, 3.061, 10.331, -4.388, 33.777 ], "bp2_params": [ 0.565, -0.181, 0.313, -1.035, -6.532, 1.093 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.037, "simple_Twist": 29.631, "simple_hRise": 3.057, "simple_hTwist": 30.316 }, { "index": 2, "nt1": "///T/2", "nt2": "///D/4", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.565, -0.181, 0.313, -1.035, -6.532, 1.093 ], "step_params": [ -0.148, 1.925, 3.459, -1.469, -1.783, 39.572 ], "heli_params": [ 3.056, 0.038, 3.376, -2.631, 2.167, 39.637 ], "bp2_params": [ -0.263, -0.151, 0.021, -4.509, -10.890, 0.621 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.459, "simple_Twist": 44.261, "simple_hRise": 3.386, "simple_hTwist": 44.318 }, { "index": 3, "nt1": "///T/3", "nt2": "///D/3", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.263, -0.151, 0.021, -4.509, -10.890, 0.621 ], "step_params": [ 0.001, 0.105, 2.943, -1.265, 0.135, 32.030 ], "heli_params": [ 0.169, -0.207, 2.941, 0.244, 2.291, 32.055 ], "bp2_params": [ -0.107, 0.015, 0.211, 9.649, -8.652, -2.866 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 2.943, "simple_Twist": 31.124, "simple_hRise": 2.941, "simple_hTwist": 31.149 }, { "index": 4, "nt1": "///T/4", "nt2": "///D/2", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.107, 0.015, 0.211, 9.649, -8.652, -2.866 ], "step_params": [ 0.943, -0.487, 3.168, 3.744, 3.181, 29.575 ], "heli_params": [ -1.585, -1.067, 3.191, 6.178, -7.271, 29.972 ], "bp2_params": [ 0.311, -0.022, -0.338, 17.272, 0.735, -0.077 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.168, "simple_Twist": 27.315, "simple_hRise": 3.189, "simple_hTwist": 27.745 }, { "index": 5, "nt1": "///T/5", "nt2": "///D/1", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W" } ] }, { "index": 2, "helix_index": 2, "strand1": "GCGCATCAGC", "strand2": "cGCGTAGTCG", "bp_type": "||||||||||", "helix_form": "BBBBBBBBB", "helical_rise": 3.230, "helical_rise_std": 0.243, "helical_radius": 9.874, "helical_radius_std": 0.640, "helical_axis": [ 0.274, 0.899, 0.341 ], "point1": [ 12.022, 10.810, 11.310 ], "point2": [ 20.004, 37.019, 21.236 ], "num_pairs": 10, "pairs": [ { "index": 1, "nt1": "///T/7", "nt2": "///P/10", "bp": "G-c", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.045, -0.142, 0.374, 8.284, -3.768, 1.334 ], "step_params": [ 0.254, -0.674, 3.482, 8.795, 4.297, 31.743 ], "heli_params": [ -1.948, 1.125, 3.316, 7.632, -15.621, 33.181 ], "bp2_params": [ 0.293, -0.261, -0.267, 3.800, -1.153, -0.761 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.482, "simple_Twist": 30.024, "simple_hRise": 3.298, "simple_hTwist": 31.544 }, { "index": 2, "nt1": "///T/8", "nt2": "///P/9", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.293, -0.261, -0.267, 3.800, -1.153, -0.761 ], "step_params": [ -1.172, 0.064, 3.416, -4.707, 6.952, 34.268 ], "heli_params": [ -1.000, 1.188, 3.487, 11.585, 7.843, 35.251 ], "bp2_params": [ -0.295, -0.184, -0.015, 0.579, -1.961, -0.060 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.416, "simple_Twist": 37.656, "simple_hRise": 3.489, "simple_hTwist": 38.548 }, { "index": 3, "nt1": "///T/9", "nt2": "///P/8", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.295, -0.184, -0.015, 0.579, -1.961, -0.060 ], "step_params": [ -0.345, -0.389, 3.223, -0.843, 2.881, 31.743 ], "heli_params": [ -1.223, 0.477, 3.184, 5.252, 1.537, 31.881 ], "bp2_params": [ 0.351, -0.269, 0.036, 6.968, -6.960, -0.947 ], "groove_widths": [ 13.691, null, 17.593, null ], "simple_Rise": 3.223, "simple_Twist": 28.300, "simple_hRise": 3.177, "simple_hTwist": 28.456 }, { "index": 4, "nt1": "///T/10", "nt2": "///P/7", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.351, -0.269, 0.036, 6.968, -6.960, -0.947 ], "step_params": [ 0.032, -0.355, 3.434, -0.066, 8.148, 37.964 ], "heli_params": [ -1.570, -0.057, 3.291, 12.350, 0.101, 38.797 ], "bp2_params": [ 0.217, -0.099, 0.037, -2.027, -11.781, 4.778 ], "groove_widths": [ 12.786, 12.395, 16.016, 15.333 ], "simple_Rise": 3.434, "simple_Twist": 38.333, "simple_hRise": 3.294, "simple_hTwist": 39.158 }, { "index": 5, "nt1": "///T/11", "nt2": "///P/6", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.217, -0.099, 0.037, -2.027, -11.781, 4.778 ], "step_params": [ 0.015, -0.673, 3.115, -0.550, 0.861, 29.732 ], "heli_params": [ -1.481, -0.138, 3.094, 1.677, 1.072, 29.749 ], "bp2_params": [ 0.113, 0.064, -0.002, 2.088, -12.017, 2.964 ], "groove_widths": [ 12.424, 12.151, 18.192, 17.466 ], "simple_Rise": 3.115, "simple_Twist": 30.672, "simple_hRise": 3.095, "simple_hTwist": 30.689 }, { "index": 6, "nt1": "///T/12", "nt2": "///P/5", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.113, 0.064, -0.002, 2.088, -12.017, 2.964 ], "step_params": [ 0.180, -0.073, 3.182, 3.365, 3.593, 36.222 ], "heli_params": [ -0.600, 0.165, 3.164, 5.747, -5.381, 36.544 ], "bp2_params": [ 0.291, -0.155, -0.223, 4.292, -11.963, 0.533 ], "groove_widths": [ 12.554, 12.426, 17.719, 16.689 ], "simple_Rise": 3.182, "simple_Twist": 35.105, "simple_hRise": 3.163, "simple_hTwist": 35.437 }, { "index": 7, "nt1": "///T/13", "nt2": "///P/4", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.291, -0.155, -0.223, 4.292, -11.963, 0.533 ], "step_params": [ -0.430, 0.185, 3.510, -1.616, 9.824, 34.103 ], "heli_params": [ -1.259, 0.448, 3.446, 16.325, 2.686, 35.485 ], "bp2_params": [ -0.136, -0.079, 0.032, -4.657, -10.019, 0.540 ], "groove_widths": [ 13.190, null, 17.128, null ], "simple_Rise": 3.510, "simple_Twist": 36.175, "simple_hRise": 3.457, "simple_hTwist": 37.476 }, { "index": 8, "nt1": "///T/14", "nt2": "///P/3", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.136, -0.079, 0.032, -4.657, -10.019, 0.540 ], "step_params": [ -0.093, -0.233, 3.177, -3.168, 5.088, 32.578 ], "heli_params": [ -1.239, -0.354, 3.101, 8.976, 5.588, 33.110 ], "bp2_params": [ 0.103, -0.133, 0.169, 1.453, -8.856, -4.647 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.177, "simple_Twist": 31.663, "simple_hRise": 3.097, "simple_hTwist": 32.211 }, { "index": 9, "nt1": "///T/15", "nt2": "///P/2", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.103, -0.133, 0.169, 1.453, -8.856, -4.647 ], "step_params": [ 0.720, -0.657, 2.974, -0.050, 7.285, 33.729 ], "heli_params": [ -2.113, -1.221, 2.775, 12.376, 0.085, 34.484 ], "bp2_params": [ 0.078, -0.141, 0.213, 9.662, -15.035, 1.860 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 2.974, "simple_Twist": 33.897, "simple_hRise": 2.776, "simple_hTwist": 34.649 }, { "index": 10, "nt1": "///T/16", "nt2": "///P/1", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W" } ] } ], "num_isoCanonPairs": 1, "isoCanonPairs": [ { "index": -1, "helix_index": 2, "nt1": "///T/6", "nt2": "///A/404", "bp": "A-t", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W" } ], "num_stacks": 3, "stacks": [ { "index": 1, "num_nts": 2, "nts_short": "CH", "nts_long": "///T/5,///A/34" }, { "index": 2, "num_nts": 2, "nts_short": "AG", "nts_long": "///T/6,///T/7" }, { "index": 3, "num_nts": 2, "nts_short": "ct", "nts_long": "///P/10,///A/404" } ], "num_splayUnits": 1, "splayUnits": [ { "index": 1, "num_nts": 2, "nts_short": "CA", "nts_long": "///T/5,///T/6" } ], "dbn": { "all_chains": { "num_nts": 32, "num_chars": 35, "bseq": "CCGACAGCGCATCAGC&GCTGATGCGc>CGG&t", "bseqUP": "CCGACAGCGCATCAGC&GCTGATGCGC>CGG&T", "sstr": "(((((.((((((((((&))))))))))&)))))&.", "form": "B.BB..BBBBBBBBB-&.BBB.B.BB-&BB.B-&-" }, "chain_T": { "num_nts": 16, "num_chars": 16, "bseq": "CCGACAGCGCATCAGC", "bseqUP": "CCGACAGCGCATCAGC", "sstr": "(((((.((((((((((", "form": "B.BB..BBBBBBBBB-" }, "chain_P": { "num_nts": 10, "num_chars": 10, "bseq": "GCTGATGCGc", "bseqUP": "GCTGATGCGC", "sstr": "))))))))))", "form": ".BBB.B.BB-" }, "chain_D": { "num_nts": 5, "num_chars": 5, "bseq": "GTCGG", "bseqUP": "GTCGG", "sstr": ")))))", "form": "BB.B-" } }, "chains": { "chain_T": { "num_nts": 16, "bseq": "CCGACAGCGCATCAGC", "sstr": "(((((.((((((((((", "form": "B.BB..BBBBBBBBB-", "helical_rise": 2.778, "helical_rise_std": 1.215, "helical_axis": [ 0.076, 0.809, 0.583 ], "point1": [ 17.989, 2.374, -2.691 ], "point2": [ 21.117, 35.530, 21.197 ], "num_chars": 46, "suite": "C!!C4bG!!A!!C!!A!!G!!C4bG!!C!!A!!T!!C!!A!!G!!C" }, "chain_P": { "num_nts": 10, "bseq": "GCTGATGCGc", "sstr": "))))))))))", "form": ".BBB.B.BB-", "helical_rise": 3.206, "helical_rise_std": 0.292, "helical_axis": [ -0.266, -0.907, -0.327 ], "point1": [ 19.772, 36.611, 20.812 ], "point2": [ 12.061, 10.362, 11.335 ], "num_chars": 28, "suite": "G1bC!!T!!G!!A!!T!!G!!C!!G__c" }, "chain_D": { "num_nts": 5, "bseq": "GTCGG", "sstr": ")))))", "form": "BB.B-", "helical_rise": 3.656, "helical_rise_std": 0.096, "helical_axis": [ 0.387, -0.171, -0.906 ], "point1": [ 24.820, 5.625, 2.850 ], "point2": [ 30.507, 3.120, -10.462 ], "num_chars": 13, "suite": "G!!T!!C4bG!!G" } }, "num_nts": 32, "nts": [ { "index": 1, "index_chain": 1, "chain_name": "T", "nt_resnum": 1, "nt_name": "DC", "nt_code": "C", "nt_id": "///T/1", "linked_nts": [ null, "///T/2" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix-end,stem-end", "alpha": null, "beta": null, "gamma": 162.333, "delta": 154.504, "epsilon": -160.818, "zeta": -87.425, "epsilon_zeta": -73.393, "bb_type": "BI", "chi": -127.733, "glyco_bond": "anti", "C5prime_xyz": [ -1.209, 8.461, -0.513 ], "P_xyz": [ null, null, null ], "form": "B", "ssZp": 1.741, "Dp": 1.760, "splay_angle": 17.779, "splay_distance": 3.008, "splay_ratio": 0.155, "d22": 4.616, "d64": 3.790, "eta": null, "theta": null, "eta_prime": null, "theta_prime": null, "eta_base": null, "theta_base": null, "v0": -7.991, "v1": 28.489, "v2": -36.999, "v3": 33.385, "v4": -16.224, "amplitude": 37.244, "phase_angle": 186.577, "puckering": "C3'-exo", "sugar_class": "~C2'-endo", "bin": "inc", "cluster": "__", "suiteness": 0.000, "filter_rmsd": 0.062, "frame": { "rmsd": 0.004, "origin": [ 29.066, 2.225, -9.162 ], "x_axis": [ -0.106, -0.987, 0.124 ], "y_axis": [ 0.936, -0.057, 0.346 ], "z_axis": [ -0.335, 0.153, 0.930 ], "quaternion": [ 0.665, 0.073, -0.172, -0.723 ] } }, { "index": 2, "index_chain": 2, "chain_name": "T", "nt_resnum": 2, "nt_name": "DC", "nt_code": "C", "nt_id": "///T/2", "linked_nts": [ "///T/1", "///T/3" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BII,canonical,non-pair-contact,helix,stem", "alpha": -72.125, "beta": -175.832, "gamma": 36.749, "delta": 147.583, "epsilon": -104.998, "zeta": 164.587, "epsilon_zeta": 90.415, "bb_type": "BII", "chi": -84.666, "glyco_bond": "anti", "C5prime_xyz": [ -2.796, 7.670, -2.606 ], "P_xyz": [ -0.740, 9.220, -3.095 ], "form": ".", "ssZp": 0.818, "Dp": 0.961, "splay_angle": 21.955, "splay_distance": 3.901, "splay_ratio": 0.208, "d22": null, "d64": null, "eta": 170.980, "theta": 177.367, "eta_prime": -156.554, "theta_prime": 177.181, "eta_base": -116.658, "theta_base": -126.389, "v0": -26.339, "v1": 41.318, "v2": -39.756, "v3": 25.774, "v4": 0.045, "amplitude": 42.025, "phase_angle": 161.085, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.061, "frame": { "rmsd": 0.005, "origin": [ 28.116, 2.370, -6.311 ], "x_axis": [ 0.425, -0.844, 0.328 ], "y_axis": [ 0.750, 0.531, 0.394 ], "z_axis": [ -0.507, 0.079, 0.859 ], "quaternion": [ 0.839, 0.094, -0.249, -0.475 ] } }, { "index": 3, "index_chain": 3, "chain_name": "T", "nt_resnum": 3, "nt_name": "DG", "nt_code": "G", "nt_id": "///T/3", "linked_nts": [ "///T/2", "///T/4" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -53.782, "beta": 137.228, "gamma": 32.983, "delta": 145.071, "epsilon": -172.306, "zeta": -114.117, "epsilon_zeta": -58.190, "bb_type": "BI", "chi": -91.231, "glyco_bond": "anti", "C5prime_xyz": [ -2.194, 7.796, -2.483 ], "P_xyz": [ 0.374, 8.223, -2.327 ], "form": "B", "ssZp": 1.574, "Dp": 1.855, "splay_angle": 17.879, "splay_distance": 3.043, "splay_ratio": 0.155, "d22": null, "d64": null, "eta": 163.975, "theta": -127.874, "eta_prime": -167.960, "theta_prime": -155.489, "eta_base": -115.746, "theta_base": -119.325, "v0": -16.205, "v1": 31.645, "v2": -34.656, "v3": 26.174, "v4": -6.579, "amplitude": 35.002, "phase_angle": 171.944, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "4b", "suiteness": 0.385, "filter_rmsd": 0.005, "frame": { "rmsd": 0.005, "origin": [ 27.278, 4.378, -3.073 ], "x_axis": [ 0.763, -0.307, 0.568 ], "y_axis": [ 0.327, 0.942, 0.070 ], "z_axis": [ -0.557, 0.133, 0.820 ], "quaternion": [ 0.939, -0.017, -0.300, -0.169 ] } }, { "index": 4, "index_chain": 4, "chain_name": "T", "nt_resnum": 4, "nt_name": "DA", "nt_code": "A", "nt_id": "///T/4", "linked_nts": [ "///T/3", "///T/5" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -47.267, "beta": 169.703, "gamma": 35.676, "delta": 125.434, "epsilon": 178.860, "zeta": -94.803, "epsilon_zeta": -86.336, "bb_type": "BI", "chi": -98.657, "glyco_bond": "anti", "C5prime_xyz": [ -2.853, 7.941, -2.349 ], "P_xyz": [ -0.781, 9.383, -2.857 ], "form": "B", "ssZp": 2.287, "Dp": 2.468, "splay_angle": 17.911, "splay_distance": 3.147, "splay_ratio": 0.158, "d22": null, "d64": null, "eta": 165.455, "theta": -146.145, "eta_prime": -175.177, "theta_prime": -156.275, "eta_base": -132.864, "theta_base": -115.028, "v0": -33.487, "v1": 35.403, "v2": -24.281, "v3": 5.889, "v4": 17.118, "amplitude": 35.599, "phase_angle": 133.006, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.037, "frame": { "rmsd": 0.005, "origin": [ 25.873, 4.739, -0.399 ], "x_axis": [ 0.823, 0.206, 0.530 ], "y_axis": [ -0.180, 0.979, -0.101 ], "z_axis": [ -0.539, -0.012, 0.842 ], "quaternion": [ 0.954, -0.023, -0.280, 0.101 ] } }, { "index": 5, "index_chain": 5, "chain_name": "T", "nt_resnum": 5, "nt_name": "DC", "nt_code": "C", "nt_id": "///T/5", "linked_nts": [ "///T/4", "///T/6" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,canonical,non-pair-contact,helix-end,stem-end,splayed-apart", "alpha": -53.088, "beta": 172.530, "gamma": 45.497, "delta": 127.888, "epsilon": -163.677, "zeta": 67.810, "epsilon_zeta": 128.513, "bb_type": "--", "chi": -105.496, "glyco_bond": "anti", "C5prime_xyz": [ -3.065, 8.273, -1.992 ], "P_xyz": [ -1.031, 9.854, -2.546 ], "form": ".", "ssZp": 2.575, "Dp": 2.496, "splay_angle": 130.935, "splay_distance": 16.216, "splay_ratio": 0.911, "d22": null, "d64": null, "eta": 170.844, "theta": 53.104, "eta_prime": -167.949, "theta_prime": -22.280, "eta_base": -121.859, "theta_base": -135.579, "v0": -38.706, "v1": 41.712, "v2": -28.579, "v3": 7.286, "v4": 19.462, "amplitude": 41.495, "phase_angle": 133.529, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.063, "frame": { "rmsd": 0.006, "origin": [ 25.653, 5.057, 2.724 ], "x_axis": [ 0.688, 0.673, 0.272 ], "y_axis": [ -0.650, 0.738, -0.182 ], "z_axis": [ -0.323, -0.052, 0.945 ], "quaternion": [ 0.918, -0.036, -0.162, 0.360 ] } }, { "index": 6, "index_chain": 6, "chain_name": "T", "nt_resnum": 6, "nt_name": "DA", "nt_code": "A", "nt_id": "///T/6", "linked_nts": [ "///T/5", "///T/7" ], "nt_type": "DNA", "dbn": ".", "summary": "anti,~C2'-endo,BI,isolated-canonical,non-pair-contact,helix-end,phosphate,splayed-apart", "alpha": 77.341, "beta": 152.462, "gamma": 52.465, "delta": 147.655, "epsilon": -175.978, "zeta": -89.910, "epsilon_zeta": -86.068, "bb_type": "BI", "chi": -90.640, "glyco_bond": "anti", "C5prime_xyz": [ -1.805, 7.661, -2.465 ], "P_xyz": [ 0.800, 7.661, -2.432 ], "form": ".", "ssZp": 1.357, "Dp": 1.736, "splay_angle": 18.405, "splay_distance": 3.321, "splay_ratio": 0.164, "d22": null, "d64": null, "eta": -62.501, "theta": -107.396, "eta_prime": 36.035, "theta_prime": -146.001, "eta_base": 144.243, "theta_base": -118.166, "v0": -11.084, "v1": 28.543, "v2": -34.684, "v3": 29.094, "v4": -11.589, "amplitude": 34.685, "phase_angle": 180.567, "puckering": "C3'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.037, "frame": { "rmsd": 0.009, "origin": [ 10.821, 8.558, 8.267 ], "x_axis": [ 0.741, -0.304, 0.599 ], "y_axis": [ 0.664, 0.201, -0.720 ], "z_axis": [ 0.098, 0.931, 0.351 ], "quaternion": [ 0.757, -0.545, -0.165, -0.320 ] } }, { "index": 7, "index_chain": 7, "chain_name": "T", "nt_resnum": 7, "nt_name": "DG", "nt_code": "G", "nt_id": "///T/7", "linked_nts": [ "///T/6", "///T/8" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,BI,canonical,non-pair-contact,helix,stem-end,phosphate", "alpha": -68.117, "beta": 171.054, "gamma": 49.484, "delta": 108.049, "epsilon": 173.573, "zeta": -94.502, "epsilon_zeta": -91.924, "bb_type": "BI", "chi": -112.790, "glyco_bond": "anti", "C5prime_xyz": [ -3.433, 8.153, -2.026 ], "P_xyz": [ -1.753, 9.958, -2.818 ], "form": "B", "ssZp": 2.594, "Dp": 2.639, "splay_angle": 18.682, "splay_distance": 3.247, "splay_ratio": 0.165, "d22": null, "d64": null, "eta": 160.017, "theta": -167.913, "eta_prime": -177.700, "theta_prime": -171.315, "eta_base": -142.971, "theta_base": -135.245, "v0": -41.665, "v1": 32.583, "v2": -12.181, "v3": -11.086, "v4": 32.873, "amplitude": 40.293, "phase_angle": 107.596, "puckering": "O4'-endo", "sugar_class": "--", "bin": "23p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.010, "frame": { "rmsd": 0.010, "origin": [ 11.372, 11.293, 10.069 ], "x_axis": [ 0.926, -0.305, 0.224 ], "y_axis": [ 0.332, 0.369, -0.868 ], "z_axis": [ 0.182, 0.878, 0.443 ], "quaternion": [ 0.827, -0.528, -0.013, -0.192 ] } }, { "index": 8, "index_chain": 8, "chain_name": "T", "nt_resnum": 8, "nt_name": "DC", "nt_code": "C", "nt_id": "///T/8", "linked_nts": [ "///T/7", "///T/9" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -57.118, "beta": 177.670, "gamma": 51.991, "delta": 140.924, "epsilon": -148.294, "zeta": -155.491, "epsilon_zeta": 7.198, "bb_type": "--", "chi": -105.309, "glyco_bond": "anti", "C5prime_xyz": [ -2.862, 8.325, -1.928 ], "P_xyz": [ -0.794, 9.879, -2.125 ], "form": "B", "ssZp": 2.116, "Dp": 2.124, "splay_angle": 23.514, "splay_distance": 3.820, "splay_ratio": 0.207, "d22": null, "d64": null, "eta": 179.059, "theta": -177.524, "eta_prime": -160.720, "theta_prime": -178.752, "eta_base": -124.217, "theta_base": -142.870, "v0": -36.644, "v1": 46.502, "v2": -38.026, "v3": 18.176, "v4": 11.124, "amplitude": 45.357, "phase_angle": 146.968, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "32p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.063, "frame": { "rmsd": 0.004, "origin": [ 12.567, 13.535, 12.090 ], "x_axis": [ 0.946, -0.150, -0.287 ], "y_axis": [ -0.142, 0.603, -0.785 ], "z_axis": [ 0.291, 0.784, 0.549 ], "quaternion": [ 0.880, -0.446, 0.164, -0.002 ] } }, { "index": 9, "index_chain": 9, "chain_name": "T", "nt_resnum": 9, "nt_name": "DG", "nt_code": "G", "nt_id": "///T/9", "linked_nts": [ "///T/8", "///T/10" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -59.227, "beta": 170.277, "gamma": 42.158, "delta": 146.677, "epsilon": -170.973, "zeta": -95.596, "epsilon_zeta": -75.377, "bb_type": "BI", "chi": -110.892, "glyco_bond": "anti", "C5prime_xyz": [ -1.543, 8.259, -1.537 ], "P_xyz": [ 0.912, 8.749, -0.880 ], "form": "B", "ssZp": 1.778, "Dp": 1.875, "splay_angle": 18.845, "splay_distance": 3.275, "splay_ratio": 0.165, "d22": null, "d64": null, "eta": 172.914, "theta": -121.626, "eta_prime": -171.088, "theta_prime": -142.782, "eta_base": -135.768, "theta_base": -109.753, "v0": -8.747, "v1": 25.256, "v2": -31.337, "v3": 27.217, "v4": -11.846, "amplitude": 31.380, "phase_angle": 183.003, "puckering": "C3'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "4b", "suiteness": 0.057, "filter_rmsd": 0.006, "frame": { "rmsd": 0.006, "origin": [ 12.529, 16.560, 14.423 ], "x_axis": [ 0.650, 0.096, -0.754 ], "y_axis": [ -0.673, 0.533, -0.512 ], "z_axis": [ 0.353, 0.840, 0.411 ], "quaternion": [ 0.805, -0.420, 0.344, 0.239 ] } }, { "index": 10, "index_chain": 10, "chain_name": "T", "nt_resnum": 10, "nt_name": "DC", "nt_code": "C", "nt_id": "///T/10", "linked_nts": [ "///T/9", "///T/11" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -66.390, "beta": 174.344, "gamma": 52.067, "delta": 131.742, "epsilon": -178.298, "zeta": -107.057, "epsilon_zeta": -71.240, "bb_type": "BI", "chi": -109.120, "glyco_bond": "anti", "C5prime_xyz": [ -2.614, 8.387, -1.984 ], "P_xyz": [ -0.499, 9.890, -2.121 ], "form": "B", "ssZp": 1.996, "Dp": 2.182, "splay_angle": 20.763, "splay_distance": 3.423, "splay_ratio": 0.180, "d22": null, "d64": null, "eta": 163.795, "theta": -154.569, "eta_prime": -165.092, "theta_prime": -164.018, "eta_base": -124.151, "theta_base": -115.972, "v0": -32.668, "v1": 40.316, "v2": -32.333, "v3": 14.772, "v4": 10.937, "amplitude": 39.373, "phase_angle": 145.205, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.064, "frame": { "rmsd": 0.008, "origin": [ 14.076, 19.135, 15.727 ], "x_axis": [ 0.204, 0.350, -0.914 ], "y_axis": [ -0.887, 0.460, -0.021 ], "z_axis": [ 0.413, 0.816, 0.405 ], "quaternion": [ 0.719, -0.291, 0.461, 0.430 ] } }, { "index": 11, "index_chain": 11, "chain_name": "T", "nt_resnum": 11, "nt_name": "DA", "nt_code": "A", "nt_id": "///T/11", "linked_nts": [ "///T/10", "///T/12" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -64.853, "beta": -173.572, "gamma": 48.706, "delta": 140.933, "epsilon": -168.550, "zeta": -101.368, "epsilon_zeta": -67.181, "bb_type": "BI", "chi": -105.757, "glyco_bond": "anti", "C5prime_xyz": [ -1.971, 8.232, -1.989 ], "P_xyz": [ 0.276, 9.416, -1.566 ], "form": "B", "ssZp": 1.666, "Dp": 1.889, "splay_angle": 17.609, "splay_distance": 3.144, "splay_ratio": 0.157, "d22": null, "d64": null, "eta": 171.947, "theta": -133.502, "eta_prime": -166.647, "theta_prime": -151.553, "eta_base": -115.837, "theta_base": -116.959, "v0": -21.241, "v1": 33.793, "v2": -33.474, "v3": 22.122, "v4": -0.769, "amplitude": 35.065, "phase_angle": 162.672, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.040, "frame": { "rmsd": 0.009, "origin": [ 15.465, 22.135, 16.614 ], "x_axis": [ -0.470, 0.467, -0.749 ], "y_axis": [ -0.797, 0.139, 0.587 ], "z_axis": [ 0.378, 0.873, 0.307 ], "quaternion": [ 0.494, -0.145, 0.570, 0.640 ] } }, { "index": 12, "index_chain": 12, "chain_name": "T", "nt_resnum": 12, "nt_name": "DT", "nt_code": "T", "nt_id": "///T/12", "linked_nts": [ "///T/11", "///T/13" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -64.011, "beta": 164.701, "gamma": 53.284, "delta": 110.087, "epsilon": -164.797, "zeta": -106.525, "epsilon_zeta": -58.272, "bb_type": "BI", "chi": -121.608, "glyco_bond": "anti", "C5prime_xyz": [ -3.004, 8.475, -1.717 ], "P_xyz": [ -1.059, 10.085, -2.184 ], "form": "B", "ssZp": 2.414, "Dp": 2.472, "splay_angle": 17.807, "splay_distance": 3.079, "splay_ratio": 0.155, "d22": 4.257, "d64": 3.651, "eta": 170.377, "theta": -161.269, "eta_prime": -172.358, "theta_prime": -164.706, "eta_base": -131.762, "theta_base": -121.458, "v0": -40.647, "v1": 33.486, "v2": -14.700, "v3": -7.979, "v4": 30.418, "amplitude": 39.407, "phase_angle": 111.903, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.102, "frame": { "rmsd": 0.008, "origin": [ 16.897, 24.921, 16.889 ], "x_axis": [ -0.791, 0.485, -0.373 ], "y_axis": [ -0.443, -0.033, 0.896 ], "z_axis": [ 0.422, 0.874, 0.241 ], "quaternion": [ 0.323, 0.017, 0.616, 0.719 ] } }, { "index": 13, "index_chain": 13, "chain_name": "T", "nt_resnum": 13, "nt_name": "DC", "nt_code": "C", "nt_id": "///T/13", "linked_nts": [ "///T/12", "///T/14" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -48.570, "beta": 160.818, "gamma": 43.717, "delta": 120.028, "epsilon": -169.815, "zeta": -120.281, "epsilon_zeta": -49.534, "bb_type": "BI", "chi": -115.010, "glyco_bond": "anti", "C5prime_xyz": [ -2.649, 8.451, -1.881 ], "P_xyz": [ -0.427, 9.770, -2.170 ], "form": "B", "ssZp": 2.440, "Dp": 2.541, "splay_angle": 22.164, "splay_distance": 3.692, "splay_ratio": 0.194, "d22": null, "d64": null, "eta": 168.312, "theta": -163.767, "eta_prime": -170.832, "theta_prime": -166.557, "eta_base": -123.293, "theta_base": -128.955, "v0": -36.548, "v1": 34.969, "v2": -20.882, "v3": 0.618, "v4": 22.251, "amplitude": 36.772, "phase_angle": 124.604, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.063, "frame": { "rmsd": 0.003, "origin": [ 17.597, 27.890, 17.301 ], "x_axis": [ -0.916, 0.352, 0.192 ], "y_axis": [ 0.144, -0.157, 0.977 ], "z_axis": [ 0.374, 0.923, 0.093 ], "quaternion": [ 0.071, 0.192, 0.645, 0.736 ] } }, { "index": 14, "index_chain": 14, "chain_name": "T", "nt_resnum": 14, "nt_name": "DA", "nt_code": "A", "nt_id": "///T/14", "linked_nts": [ "///T/13", "///T/15" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -35.791, "beta": 171.033, "gamma": 34.376, "delta": 145.540, "epsilon": -166.468, "zeta": -107.312, "epsilon_zeta": -59.156, "bb_type": "BI", "chi": -106.242, "glyco_bond": "anti", "C5prime_xyz": [ -1.832, 8.203, -1.806 ], "P_xyz": [ 0.550, 9.165, -1.262 ], "form": "B", "ssZp": 1.862, "Dp": 1.975, "splay_angle": 18.731, "splay_distance": 3.258, "splay_ratio": 0.164, "d22": null, "d64": null, "eta": 174.082, "theta": -128.965, "eta_prime": -163.818, "theta_prime": -144.519, "eta_base": -124.536, "theta_base": -110.078, "v0": -14.771, "v1": 30.749, "v2": -34.181, "v3": 26.590, "v4": -7.669, "amplitude": 34.376, "phase_angle": 173.890, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.037, "frame": { "rmsd": 0.006, "origin": [ 19.005, 31.237, 17.973 ], "x_axis": [ -0.733, 0.022, 0.680 ], "y_axis": [ 0.640, -0.318, 0.700 ], "z_axis": [ 0.231, 0.948, 0.219 ], "quaternion": [ -0.205, 0.302, 0.547, 0.753 ] } }, { "index": 15, "index_chain": 15, "chain_name": "T", "nt_resnum": 15, "nt_name": "DG", "nt_code": "G", "nt_id": "///T/15", "linked_nts": [ "///T/14", "///T/16" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -51.448, "beta": 164.327, "gamma": 41.634, "delta": 127.593, "epsilon": -169.215, "zeta": -105.684, "epsilon_zeta": -63.532, "bb_type": "BI", "chi": -110.200, "glyco_bond": "anti", "C5prime_xyz": [ -2.902, 8.327, -1.953 ], "P_xyz": [ -0.834, 9.896, -2.041 ], "form": "B", "ssZp": 2.251, "Dp": 2.324, "splay_angle": 17.659, "splay_distance": 3.150, "splay_ratio": 0.158, "d22": null, "d64": null, "eta": 163.832, "theta": -144.486, "eta_prime": -169.787, "theta_prime": -157.777, "eta_base": -127.832, "theta_base": -110.854, "v0": -36.300, "v1": 39.774, "v2": -28.432, "v3": 8.563, "v4": 17.055, "amplitude": 39.539, "phase_angle": 135.978, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.007, "frame": { "rmsd": 0.007, "origin": [ 19.209, 34.365, 18.861 ], "x_axis": [ -0.328, -0.214, 0.920 ], "y_axis": [ 0.933, -0.226, 0.280 ], "z_axis": [ 0.148, 0.950, 0.274 ], "quaternion": [ -0.424, 0.395, 0.455, 0.676 ] } }, { "index": 16, "index_chain": 16, "chain_name": "T", "nt_resnum": 16, "nt_name": "DC", "nt_code": "C", "nt_id": "///T/16", "linked_nts": [ "///T/15", null ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,canonical,non-pair-contact,helix-end,stem-end", "alpha": -51.457, "beta": 165.016, "gamma": 42.559, "delta": 111.151, "epsilon": null, "zeta": null, "epsilon_zeta": null, "bb_type": "--", "chi": -119.078, "glyco_bond": "anti", "C5prime_xyz": [ -2.758, 8.517, -1.816 ], "P_xyz": [ -0.694, 10.085, -2.201 ], "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": -38.781, "v1": 31.847, "v2": -13.811, "v3": -7.824, "v4": 29.311, "amplitude": 37.640, "phase_angle": 111.527, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.064, "frame": { "rmsd": 0.004, "origin": [ 18.970, 36.841, 20.793 ], "x_axis": [ 0.283, -0.363, 0.888 ], "y_axis": [ 0.959, 0.088, -0.269 ], "z_axis": [ 0.019, 0.927, 0.374 ], "quaternion": [ 0.660, -0.453, -0.329, -0.501 ] } }, { "index": 17, "index_chain": 1, "chain_name": "P", "nt_resnum": 1, "nt_name": "DG", "nt_code": "G", "nt_id": "///P/1", "linked_nts": [ null, "///P/2" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C3'-endo,BI,canonical,non-pair-contact,helix-end,stem-end", "alpha": null, "beta": null, "gamma": 62.799, "delta": 95.560, "epsilon": -153.796, "zeta": -76.635, "epsilon_zeta": -77.161, "bb_type": "BI", "chi": -160.631, "glyco_bond": "anti", "C5prime_xyz": [ -1.704, 8.828, 0.510 ], "P_xyz": [ null, null, null ], "form": ".", "ssZp": 3.723, "Dp": 3.931, "splay_angle": 18.605, "splay_distance": 3.109, "splay_ratio": 0.162, "d22": null, "d64": null, "eta": null, "theta": null, "eta_prime": null, "theta_prime": null, "eta_base": null, "theta_base": null, "v0": -7.533, "v1": -9.222, "v2": 21.241, "v3": -26.241, "v4": 21.281, "amplitude": 25.941, "phase_angle": 35.035, "puckering": "C3'-endo", "sugar_class": "~C3'-endo", "bin": "inc", "cluster": "__", "suiteness": 0.000, "filter_rmsd": 0.007, "frame": { "rmsd": 0.007, "origin": [ 19.056, 36.693, 20.588 ], "x_axis": [ 0.216, -0.592, 0.776 ], "y_axis": [ -0.944, 0.074, 0.320 ], "z_axis": [ -0.247, -0.802, -0.544 ], "quaternion": [ 0.432, 0.649, -0.592, 0.204 ] } }, { "index": 18, "index_chain": 2, "chain_name": "P", "nt_resnum": 2, "nt_name": "DC", "nt_code": "C", "nt_id": "///P/2", "linked_nts": [ "///P/1", "///P/3" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -63.618, "beta": 179.408, "gamma": 53.328, "delta": 132.704, "epsilon": -175.310, "zeta": -92.738, "epsilon_zeta": -82.573, "bb_type": "BI", "chi": -122.653, "glyco_bond": "anti", "C5prime_xyz": [ -2.051, 8.694, -1.248 ], "P_xyz": [ 0.327, 9.672, -0.754 ], "form": "B", "ssZp": 2.457, "Dp": 2.436, "splay_angle": 18.609, "splay_distance": 3.122, "splay_ratio": 0.162, "d22": 4.367, "d64": 3.693, "eta": 163.393, "theta": -133.647, "eta_prime": -164.712, "theta_prime": -143.597, "eta_base": -133.685, "theta_base": -106.945, "v0": -25.810, "v1": 32.685, "v2": -27.112, "v3": 12.896, "v4": 7.917, "amplitude": 32.209, "phase_angle": 147.326, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "32p", "cluster": "1b", "suiteness": 0.441, "filter_rmsd": 0.064, "frame": { "rmsd": 0.005, "origin": [ 19.342, 34.209, 18.740 ], "x_axis": [ -0.273, -0.376, 0.886 ], "y_axis": [ -0.954, 0.226, -0.198 ], "z_axis": [ -0.125, -0.899, -0.420 ], "quaternion": [ -0.365, -0.480, 0.693, -0.396 ] } }, { "index": 19, "index_chain": 3, "chain_name": "P", "nt_resnum": 3, "nt_name": "DT", "nt_code": "T", "nt_id": "///P/3", "linked_nts": [ "///P/2", "///P/4" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -68.452, "beta": -172.456, "gamma": 51.221, "delta": 137.096, "epsilon": -159.411, "zeta": -123.394, "epsilon_zeta": -36.017, "bb_type": "BI", "chi": -101.193, "glyco_bond": "anti", "C5prime_xyz": [ -2.536, 8.084, -2.195 ], "P_xyz": [ -0.369, 9.481, -2.241 ], "form": "B", "ssZp": 1.875, "Dp": 2.050, "splay_angle": 19.792, "splay_distance": 3.398, "splay_ratio": 0.172, "d22": null, "d64": null, "eta": 171.368, "theta": -145.806, "eta_prime": -163.764, "theta_prime": -155.589, "eta_base": -120.275, "theta_base": -112.517, "v0": -27.464, "v1": 37.032, "v2": -32.244, "v3": 17.399, "v4": 6.043, "amplitude": 36.576, "phase_angle": 151.832, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.104, "frame": { "rmsd": 0.007, "origin": [ 18.949, 31.176, 18.111 ], "x_axis": [ -0.764, -0.143, 0.630 ], "y_axis": [ -0.644, 0.240, -0.726 ], "z_axis": [ -0.048, -0.960, -0.276 ], "quaternion": [ -0.224, -0.261, 0.755, -0.558 ] } }, { "index": 20, "index_chain": 4, "chain_name": "P", "nt_resnum": 4, "nt_name": "DG", "nt_code": "G", "nt_id": "///P/4", "linked_nts": [ "///P/3", "///P/5" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -39.083, "beta": 153.053, "gamma": 35.948, "delta": 128.382, "epsilon": -175.894, "zeta": -118.025, "epsilon_zeta": -57.869, "bb_type": "BI", "chi": -109.258, "glyco_bond": "anti", "C5prime_xyz": [ -2.743, 8.363, -1.948 ], "P_xyz": [ -0.517, 9.697, -2.047 ], "form": "B", "ssZp": 2.326, "Dp": 2.364, "splay_angle": 19.977, "splay_distance": 3.301, "splay_ratio": 0.173, "d22": null, "d64": null, "eta": 163.230, "theta": -158.060, "eta_prime": -170.932, "theta_prime": -168.490, "eta_base": -122.771, "theta_base": -124.136, "v0": -33.214, "v1": 37.904, "v2": -28.350, "v3": 10.112, "v4": 14.240, "amplitude": 37.437, "phase_angle": 139.226, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.005, "frame": { "rmsd": 0.005, "origin": [ 17.956, 27.998, 17.435 ], "x_axis": [ -0.976, 0.156, 0.152 ], "y_axis": [ -0.114, 0.226, -0.967 ], "z_axis": [ -0.186, -0.962, -0.202 ], "quaternion": [ -0.109, 0.014, 0.775, -0.622 ] } }, { "index": 21, "index_chain": 5, "chain_name": "P", "nt_resnum": 5, "nt_name": "DA", "nt_code": "A", "nt_id": "///P/5", "linked_nts": [ "///P/4", "///P/6" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -44.607, "beta": 172.313, "gamma": 41.532, "delta": 136.336, "epsilon": 176.919, "zeta": -94.546, "epsilon_zeta": -88.535, "bb_type": "BI", "chi": -113.051, "glyco_bond": "anti", "C5prime_xyz": [ -2.021, 8.384, -1.641 ], "P_xyz": [ 0.332, 9.424, -1.310 ], "form": ".", "ssZp": 2.267, "Dp": 2.264, "splay_angle": 18.579, "splay_distance": 3.235, "splay_ratio": 0.166, "d22": null, "d64": null, "eta": 169.740, "theta": -137.593, "eta_prime": -168.363, "theta_prime": -152.382, "eta_base": -118.916, "theta_base": -120.737, "v0": -21.835, "v1": 32.012, "v2": -29.618, "v3": 17.813, "v4": 2.293, "amplitude": 32.130, "phase_angle": 157.195, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.037, "frame": { "rmsd": 0.007, "origin": [ 17.020, 24.881, 16.881 ], "x_axis": [ -0.836, 0.294, -0.464 ], "y_axis": [ 0.497, 0.046, -0.866 ], "z_axis": [ -0.233, -0.955, -0.185 ], "quaternion": [ 0.080, 0.275, 0.719, -0.633 ] } }, { "index": 22, "index_chain": 6, "chain_name": "P", "nt_resnum": 6, "nt_name": "DT", "nt_code": "T", "nt_id": "///P/6", "linked_nts": [ "///P/5", "///P/7" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -57.788, "beta": -175.464, "gamma": 44.786, "delta": 136.234, "epsilon": -172.545, "zeta": -115.081, "epsilon_zeta": -57.464, "bb_type": "BI", "chi": -107.353, "glyco_bond": "anti", "C5prime_xyz": [ -2.626, 8.313, -1.915 ], "P_xyz": [ -0.607, 9.956, -1.791 ], "form": "B", "ssZp": 2.257, "Dp": 2.288, "splay_angle": 20.502, "splay_distance": 3.491, "splay_ratio": 0.180, "d22": null, "d64": null, "eta": 169.996, "theta": -150.873, "eta_prime": -166.290, "theta_prime": -159.295, "eta_base": -127.057, "theta_base": -119.821, "v0": -30.838, "v1": 39.972, "v2": -33.512, "v3": 16.786, "v4": 8.467, "amplitude": 39.183, "phase_angle": 148.789, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.103, "frame": { "rmsd": 0.005, "origin": [ 15.475, 22.038, 16.835 ], "x_axis": [ -0.474, 0.266, -0.840 ], "y_axis": [ 0.825, -0.202, -0.529 ], "z_axis": [ -0.310, -0.943, -0.123 ], "quaternion": [ -0.224, -0.461, -0.591, 0.623 ] } }, { "index": 23, "index_chain": 7, "chain_name": "P", "nt_resnum": 7, "nt_name": "DG", "nt_code": "G", "nt_id": "///P/7", "linked_nts": [ "///P/6", "///P/8" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -47.269, "beta": 173.188, "gamma": 40.661, "delta": 128.364, "epsilon": -171.904, "zeta": -88.359, "epsilon_zeta": -83.546, "bb_type": "BI", "chi": -112.032, "glyco_bond": "anti", "C5prime_xyz": [ -2.276, 8.422, -1.906 ], "P_xyz": [ -0.134, 9.845, -1.526 ], "form": ".", "ssZp": 1.855, "Dp": 2.146, "splay_angle": 18.202, "splay_distance": 3.296, "splay_ratio": 0.163, "d22": null, "d64": null, "eta": 173.783, "theta": -133.872, "eta_prime": -167.797, "theta_prime": -147.285, "eta_base": -123.920, "theta_base": -107.132, "v0": -28.453, "v1": 32.906, "v2": -25.419, "v3": 9.798, "v4": 11.468, "amplitude": 32.643, "phase_angle": 141.144, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.009, "frame": { "rmsd": 0.009, "origin": [ 13.757, 19.107, 16.033 ], "x_axis": [ 0.144, 0.253, -0.957 ], "y_axis": [ 0.935, -0.351, 0.048 ], "z_axis": [ -0.323, -0.902, -0.287 ], "quaternion": [ 0.356, 0.667, 0.445, -0.480 ] } }, { "index": 24, "index_chain": 8, "chain_name": "P", "nt_resnum": 8, "nt_name": "DC", "nt_code": "C", "nt_id": "///P/8", "linked_nts": [ "///P/7", "///P/9" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -64.851, "beta": 174.736, "gamma": 45.865, "delta": 105.913, "epsilon": 178.823, "zeta": -94.627, "epsilon_zeta": -86.550, "bb_type": "BI", "chi": -117.948, "glyco_bond": "anti", "C5prime_xyz": [ -2.894, 8.466, -1.917 ], "P_xyz": [ -1.008, 10.192, -2.394 ], "form": "B", "ssZp": 2.574, "Dp": 2.741, "splay_angle": 19.887, "splay_distance": 3.412, "splay_ratio": 0.173, "d22": null, "d64": null, "eta": 163.527, "theta": -164.157, "eta_prime": -176.909, "theta_prime": -163.962, "eta_base": -128.982, "theta_base": -118.838, "v0": -39.870, "v1": 29.362, "v2": -8.976, "v3": -13.467, "v4": 33.433, "amplitude": 38.787, "phase_angle": 103.381, "puckering": "O4'-endo", "sugar_class": "--", "bin": "23p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.064, "frame": { "rmsd": 0.007, "origin": [ 12.599, 16.693, 14.110 ], "x_axis": [ 0.637, 0.068, -0.768 ], "y_axis": [ 0.678, -0.525, 0.516 ], "z_axis": [ -0.368, -0.849, -0.380 ], "quaternion": [ 0.428, 0.797, 0.234, -0.356 ] } }, { "index": 25, "index_chain": 9, "chain_name": "P", "nt_resnum": 9, "nt_name": "DG", "nt_code": "G", "nt_id": "///P/9", "linked_nts": [ "///P/8", "///P/10" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -40.429, "beta": 170.771, "gamma": 36.948, "delta": 133.646, "epsilon": -163.979, "zeta": -103.357, "epsilon_zeta": -60.623, "bb_type": "BI", "chi": -110.250, "glyco_bond": "anti", "C5prime_xyz": [ -2.538, 8.417, -1.742 ], "P_xyz": [ -0.341, 9.805, -1.588 ], "form": "B", "ssZp": 2.423, "Dp": 2.388, "splay_angle": 22.747, "splay_distance": 3.878, "splay_ratio": 0.198, "d22": null, "d64": null, "eta": 173.384, "theta": -148.429, "eta_prime": -163.000, "theta_prime": -169.068, "eta_base": -114.063, "theta_base": -127.433, "v0": -29.330, "v1": 36.400, "v2": -29.552, "v3": 13.435, "v4": 9.660, "amplitude": 35.757, "phase_angle": 145.739, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "32p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.005, "frame": { "rmsd": 0.005, "origin": [ 12.328, 13.945, 12.107 ], "x_axis": [ 0.938, -0.159, -0.308 ], "y_axis": [ 0.174, -0.552, 0.816 ], "z_axis": [ -0.300, -0.819, -0.490 ], "quaternion": [ 0.473, 0.863, 0.004, -0.176 ] } }, { "index": 26, "index_chain": 10, "chain_name": "P", "nt_resnum": 10, "nt_name": "DOC", "nt_code": "c", "is_modified": true, "nt_id": "///P/10", "linked_nts": [ "///P/9", null ], "nt_type": "DNA", "dbn": ")", "summary": "modified,anti,~C3'-endo,canonical,non-pair-contact,helix,stem-end,phosphate", "alpha": -107.460, "beta": 135.000, "gamma": 106.691, "delta": null, "epsilon": null, "zeta": null, "epsilon_zeta": null, "bb_type": "--", "chi": -176.145, "glyco_bond": "anti", "C5prime_xyz": [ -1.906, 8.852, 1.252 ], "P_xyz": [ 0.242, 9.945, 0.229 ], "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": -10.622, "v1": -11.521, "v2": 27.989, "v3": -35.036, "v4": 28.854, "amplitude": 34.673, "phase_angle": 36.176, "puckering": "C4'-exo", "sugar_class": "~C3'-endo", "bin": "inc", "cluster": "__", "suiteness": 0.000, "filter_rmsd": 0.067, "frame": { "rmsd": 0.011, "origin": [ 11.289, 11.017, 9.787 ], "x_axis": [ 0.903, -0.371, 0.219 ], "y_axis": [ -0.319, -0.233, 0.919 ], "z_axis": [ -0.289, -0.899, -0.328 ], "quaternion": [ 0.579, 0.785, -0.220, -0.022 ] } }, { "index": 27, "index_chain": 1, "chain_name": "D", "nt_resnum": 1, "nt_name": "DG", "nt_code": "G", "nt_id": "///D/1", "linked_nts": [ null, "///D/2" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix-end,stem-end,phosphate", "alpha": null, "beta": -142.257, "gamma": 50.984, "delta": 141.373, "epsilon": 173.230, "zeta": -98.973, "epsilon_zeta": -87.797, "bb_type": "BI", "chi": -110.159, "glyco_bond": "anti", "C5prime_xyz": [ -1.684, 8.319, -1.711 ], "P_xyz": [ 0.356, 9.539, -0.598 ], "form": "B", "ssZp": 1.871, "Dp": 2.000, "splay_angle": 20.809, "splay_distance": 3.557, "splay_ratio": 0.183, "d22": null, "d64": null, "eta": null, "theta": -143.633, "eta_prime": null, "theta_prime": -155.278, "eta_base": null, "theta_base": -127.282, "v0": -15.049, "v1": 28.517, "v2": -30.636, "v3": 22.746, "v4": -5.105, "amplitude": 31.059, "phase_angle": 170.537, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "inc", "cluster": "__", "suiteness": 0.000, "filter_rmsd": 0.011, "frame": { "rmsd": 0.011, "origin": [ 25.284, 4.883, 2.937 ], "x_axis": [ 0.681, 0.675, 0.283 ], "y_axis": [ 0.525, -0.720, 0.454 ], "z_axis": [ 0.510, -0.161, -0.845 ], "quaternion": [ 0.171, 0.901, 0.333, 0.220 ] } }, { "index": 28, "index_chain": 2, "chain_name": "D", "nt_resnum": 2, "nt_name": "DT", "nt_code": "T", "nt_id": "///D/2", "linked_nts": [ "///D/1", "///D/3" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -52.427, "beta": -171.146, "gamma": 41.382, "delta": 130.946, "epsilon": -177.123, "zeta": -99.561, "epsilon_zeta": -77.562, "bb_type": "BI", "chi": -109.792, "glyco_bond": "anti", "C5prime_xyz": [ -2.196, 8.326, -1.939 ], "P_xyz": [ -0.203, 9.901, -1.440 ], "form": "B", "ssZp": 1.844, "Dp": 2.134, "splay_angle": 16.768, "splay_distance": 2.850, "splay_ratio": 0.146, "d22": 4.439, "d64": 3.810, "eta": 177.465, "theta": -148.706, "eta_prime": -164.755, "theta_prime": -155.364, "eta_base": -131.465, "theta_base": -115.484, "v0": -25.401, "v1": 32.868, "v2": -27.907, "v3": 14.053, "v4": 6.824, "amplitude": 32.462, "phase_angle": 149.279, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.105, "frame": { "rmsd": 0.009, "origin": [ 26.070, 4.731, -0.529 ], "x_axis": [ 0.889, 0.241, 0.390 ], "y_axis": [ 0.140, -0.953, 0.270 ], "z_axis": [ 0.437, -0.185, -0.880 ], "quaternion": [ 0.118, 0.965, 0.099, 0.214 ] } }, { "index": 29, "index_chain": 3, "chain_name": "D", "nt_resnum": 3, "nt_name": "DC", "nt_code": "C", "nt_id": "///D/3", "linked_nts": [ "///D/2", "///D/4" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -56.465, "beta": -179.578, "gamma": 41.603, "delta": 143.357, "epsilon": -134.874, "zeta": -168.998, "epsilon_zeta": 34.124, "bb_type": "--", "chi": -94.153, "glyco_bond": "anti", "C5prime_xyz": [ -2.669, 8.025, -2.331 ], "P_xyz": [ -0.542, 9.475, -2.613 ], "form": ".", "ssZp": 1.614, "Dp": 1.729, "splay_angle": 23.259, "splay_distance": 4.055, "splay_ratio": 0.219, "d22": null, "d64": null, "eta": 178.526, "theta": -171.456, "eta_prime": -161.437, "theta_prime": -171.684, "eta_base": -120.017, "theta_base": -120.428, "v0": -29.123, "v1": 41.624, "v2": -37.562, "v3": 21.889, "v4": 4.247, "amplitude": 41.336, "phase_angle": 155.328, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.061, "frame": { "rmsd": 0.005, "origin": [ 27.549, 4.434, -2.947 ], "x_axis": [ 0.854, -0.330, 0.403 ], "y_axis": [ -0.297, -0.944, -0.143 ], "z_axis": [ 0.428, 0.003, -0.904 ], "quaternion": [ -0.038, 0.962, -0.163, 0.216 ] } }, { "index": 30, "index_chain": 4, "chain_name": "D", "nt_resnum": 4, "nt_name": "DG", "nt_code": "G", "nt_id": "///D/4", "linked_nts": [ "///D/3", "///D/5" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -36.560, "beta": 145.454, "gamma": 35.035, "delta": 146.356, "epsilon": -170.401, "zeta": -105.953, "epsilon_zeta": -64.448, "bb_type": "BI", "chi": -88.678, "glyco_bond": "anti", "C5prime_xyz": [ -2.120, 7.650, -2.524 ], "P_xyz": [ 0.440, 8.073, -2.430 ], "form": "B", "ssZp": 1.465, "Dp": 1.821, "splay_angle": 18.845, "splay_distance": 3.193, "splay_ratio": 0.164, "d22": null, "d64": null, "eta": 171.694, "theta": -122.486, "eta_prime": -161.005, "theta_prime": -147.595, "eta_base": -113.984, "theta_base": -108.388, "v0": -12.313, "v1": 28.911, "v2": -33.628, "v3": 27.543, "v4": -9.866, "amplitude": 33.651, "phase_angle": 177.889, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "4b", "suiteness": 0.128, "filter_rmsd": 0.006, "frame": { "rmsd": 0.006, "origin": [ 28.153, 2.937, -6.667 ], "x_axis": [ 0.466, -0.856, 0.221 ], "y_axis": [ -0.750, -0.515, -0.415 ], "z_axis": [ 0.469, 0.027, -0.883 ], "quaternion": [ -0.131, 0.846, -0.475, 0.204 ] } }, { "index": 31, "index_chain": 5, "chain_name": "D", "nt_resnum": 5, "nt_name": "DG", "nt_code": "G", "nt_id": "///D/5", "linked_nts": [ "///D/4", null ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,canonical,non-pair-contact,helix-end,stem-end", "alpha": -62.046, "beta": 173.671, "gamma": 43.195, "delta": 133.213, "epsilon": null, "zeta": null, "epsilon_zeta": null, "bb_type": "--", "chi": -92.348, "glyco_bond": "anti", "C5prime_xyz": [ -2.863, 7.820, -2.474 ], "P_xyz": [ -0.692, 9.054, -3.147 ], "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": -30.166, "v1": 36.995, "v2": -29.250, "v3": 12.905, "v4": 10.596, "amplitude": 36.050, "phase_angle": 144.231, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.007, "frame": { "rmsd": 0.007, "origin": [ 29.307, 2.094, -9.523 ], "x_axis": [ -0.074, -0.993, 0.094 ], "y_axis": [ -0.800, 0.003, -0.600 ], "z_axis": [ 0.596, -0.119, -0.794 ], "quaternion": [ 0.184, -0.655, 0.684, -0.263 ] } }, { "index": 32, "index_chain": 1, "chain_name": "A", "nt_resnum": 404, "nt_name": "VT8", "nt_code": "t", "is_modified": true, "nt_id": "///A/404", "linked_nts": [ null, null ], "nt_type": "DNA", "dbn": ".", "summary": "modified,anti,~C3'-endo,isolated-canonical,non-pair-contact,helix-end", "alpha": null, "beta": null, "gamma": 62.460, "delta": 71.085, "epsilon": null, "zeta": null, "epsilon_zeta": null, "bb_type": "--", "chi": -148.501, "glyco_bond": "anti", "C5prime_xyz": [ -1.566, 8.808, -0.141 ], "P_xyz": [ null, null, null ], "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": -3.621, "v1": -24.909, "v2": 38.382, "v3": -42.906, "v4": 25.203, "amplitude": 41.287, "phase_angle": 21.621, "puckering": "C3'-endo", "sugar_class": "~C3'-endo", "bin": "inc", "cluster": "__", "suiteness": 0.000, "filter_rmsd": 0.080, "frame": { "rmsd": 0.049, "origin": [ 10.850, 8.645, 8.106 ], "x_axis": [ 0.712, -0.157, 0.684 ], "y_axis": [ -0.696, -0.289, 0.658 ], "z_axis": [ 0.095, -0.944, -0.315 ], "quaternion": [ 0.526, 0.761, -0.280, 0.256 ] } } ], "num_hbonds": 407, "hbonds": [ { "index": 1, "atom1_serNum": 11, "atom2_serNum": 630, "donAcc_type": "standard", "distance": 2.812, "atom1_id": "///T/1/O2", "atom2_id": "///D/5/N2", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 2, "atom1_serNum": 12, "atom2_serNum": 628, "donAcc_type": "standard", "distance": 2.934, "atom1_id": "///T/1/N3", "atom2_id": "///D/5/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 3, "atom1_serNum": 14, "atom2_serNum": 627, "donAcc_type": "standard", "distance": 2.944, "atom1_id": "///T/1/N4", "atom2_id": "///D/5/O6", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 4, "atom1_serNum": 30, "atom2_serNum": 608, "donAcc_type": "standard", "distance": 2.770, "atom1_id": "///T/2/O2", "atom2_id": "///D/4/N2", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 5, "atom1_serNum": 31, "atom2_serNum": 606, "donAcc_type": "standard", "distance": 2.934, "atom1_id": "///T/2/N3", "atom2_id": "///D/4/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 6, "atom1_serNum": 33, "atom2_serNum": 605, "donAcc_type": "standard", "distance": 2.986, "atom1_id": "///T/2/N4", "atom2_id": "///D/4/O6", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 7, "atom1_serNum": 52, "atom2_serNum": 586, "donAcc_type": "standard", "distance": 2.920, "atom1_id": "///T/3/O6", "atom2_id": "///D/3/N4", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 8, "atom1_serNum": 53, "atom2_serNum": 584, "donAcc_type": "standard", "distance": 2.883, "atom1_id": "///T/3/N1", "atom2_id": "///D/3/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 9, "atom1_serNum": 55, "atom2_serNum": 583, "donAcc_type": "standard", "distance": 2.738, "atom1_id": "///T/3/N2", "atom2_id": "///D/3/O2", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 10, "atom1_serNum": 74, "atom2_serNum": 566, "donAcc_type": "standard", "distance": 3.055, "atom1_id": "///T/4/N6", "atom2_id": "///D/2/O4", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 11, "atom1_serNum": 75, "atom2_serNum": 564, "donAcc_type": "standard", "distance": 3.007, "atom1_id": "///T/4/N1", "atom2_id": "///D/2/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 12, "atom1_serNum": 92, "atom2_serNum": 547, "donAcc_type": "standard", "distance": 2.863, "atom1_id": "///T/5/O2", "atom2_id": "///D/1/N2", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 13, "atom1_serNum": 93, "atom2_serNum": 545, "donAcc_type": "standard", "distance": 2.987, "atom1_id": "///T/5/N3", "atom2_id": "///D/1/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 14, "atom1_serNum": 95, "atom2_serNum": 544, "donAcc_type": "standard", "distance": 3.001, "atom1_id": "///T/5/N4", "atom2_id": "///D/1/O6", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 15, "atom1_serNum": 99, "atom2_serNum": 2812, "donAcc_type": "standard", "distance": 3.389, "atom1_id": "///T/6/OP1", "atom2_id": "///A/280/NZ", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 16, "atom1_serNum": 100, "atom2_serNum": 2812, "donAcc_type": "standard", "distance": 2.981, "atom1_id": "///T/6/OP2", "atom2_id": "///A/280/NZ", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 17, "atom1_serNum": 114, "atom2_serNum": 3273, "donAcc_type": "standard", "distance": 3.033, "atom1_id": "///T/6/N6", "atom2_id": "///A/404/O4", "atom_pair": "N:O", "residue_pair": "nt:ligand" }, { "index": 18, "atom1_serNum": 115, "atom2_serNum": 3271, "donAcc_type": "standard", "distance": 2.750, "atom1_id": "///T/6/N1", "atom2_id": "///A/404/N3", "atom_pair": "N:N", "residue_pair": "nt:ligand" }, { "index": 19, "atom1_serNum": 117, "atom2_serNum": 2838, "donAcc_type": "standard", "distance": 3.088, "atom1_id": "///T/6/N3", "atom2_id": "///A/283/NH1", "atom_pair": "N:N", "residue_pair": "nt:aa" }, { "index": 20, "atom1_serNum": 120, "atom2_serNum": 2906, "donAcc_type": "acceptable", "distance": 2.644, "atom1_id": "///T/7/OP1", "atom2_id": "///A/292/OG1", "atom_pair": "O:O", "residue_pair": "nt:aa" }, { "index": 21, "atom1_serNum": 125, "atom2_serNum": 2838, "donAcc_type": "standard", "distance": 3.075, "atom1_id": "///T/7/O4'", "atom2_id": "///A/283/NH1", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 22, "atom1_serNum": 135, "atom2_serNum": 515, "donAcc_type": "standard", "distance": 2.919, "atom1_id": "///T/7/O6", "atom2_id": "///P/10/N4", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 23, "atom1_serNum": 136, "atom2_serNum": 510, "donAcc_type": "standard", "distance": 2.825, "atom1_id": "///T/7/N1", "atom2_id": "///P/10/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 24, "atom1_serNum": 138, "atom2_serNum": 514, "donAcc_type": "standard", "distance": 2.648, "atom1_id": "///T/7/N2", "atom2_id": "///P/10/O2", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 25, "atom1_serNum": 142, "atom2_serNum": 2923, "donAcc_type": "standard", "distance": 2.960, "atom1_id": "///T/8/OP1", "atom2_id": "///A/294/ND2", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 26, "atom1_serNum": 154, "atom2_serNum": 505, "donAcc_type": "standard", "distance": 2.729, "atom1_id": "///T/8/O2", "atom2_id": "///P/9/N2", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 27, "atom1_serNum": 155, "atom2_serNum": 503, "donAcc_type": "standard", "distance": 2.803, "atom1_id": "///T/8/N3", "atom2_id": "///P/9/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 28, "atom1_serNum": 157, "atom2_serNum": 502, "donAcc_type": "standard", "distance": 2.787, "atom1_id": "///T/8/N4", "atom2_id": "///P/9/O6", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 29, "atom1_serNum": 161, "atom2_serNum": 2944, "donAcc_type": "acceptable", "distance": 2.592, "atom1_id": "///T/9/OP1", "atom2_id": "///A/296/OH", "atom_pair": "O:O", "residue_pair": "nt:aa" }, { "index": 30, "atom1_serNum": 168, "atom2_serNum": 2412, "donAcc_type": "acceptable", "distance": 3.332, "atom1_id": "///T/9/O3'", "atom2_id": "///A/233/OG1", "atom_pair": "O:O", "residue_pair": "nt:aa" }, { "index": 31, "atom1_serNum": 176, "atom2_serNum": 483, "donAcc_type": "standard", "distance": 2.867, "atom1_id": "///T/9/O6", "atom2_id": "///P/8/N4", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 32, "atom1_serNum": 177, "atom2_serNum": 481, "donAcc_type": "standard", "distance": 2.856, "atom1_id": "///T/9/N1", "atom2_id": "///P/8/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 33, "atom1_serNum": 179, "atom2_serNum": 480, "donAcc_type": "standard", "distance": 2.770, "atom1_id": "///T/9/N2", "atom2_id": "///P/8/O2", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 34, "atom1_serNum": 180, "atom2_serNum": 2422, "donAcc_type": "standard", "distance": 3.479, "atom1_id": "///T/9/N3", "atom2_id": "///A/234/NZ", "atom_pair": "N:N", "residue_pair": "nt:aa" }, { "index": 35, "atom1_serNum": 183, "atom2_serNum": 2407, "donAcc_type": "standard", "distance": 2.923, "atom1_id": "///T/10/OP1", "atom2_id": "///A/233/N", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 36, "atom1_serNum": 183, "atom2_serNum": 2414, "donAcc_type": "standard", "distance": 2.915, "atom1_id": "///T/10/OP1", "atom2_id": "///A/234/N", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 37, "atom1_serNum": 195, "atom2_serNum": 464, "donAcc_type": "standard", "distance": 2.721, "atom1_id": "///T/10/O2", "atom2_id": "///P/7/N2", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 38, "atom1_serNum": 196, "atom2_serNum": 462, "donAcc_type": "standard", "distance": 2.803, "atom1_id": "///T/10/N3", "atom2_id": "///P/7/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 39, "atom1_serNum": 198, "atom2_serNum": 461, "donAcc_type": "standard", "distance": 2.785, "atom1_id": "///T/10/N4", "atom2_id": "///P/7/O6", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 40, "atom1_serNum": 202, "atom2_serNum": 2385, "donAcc_type": "standard", "distance": 2.968, "atom1_id": "///T/11/OP1", "atom2_id": "///A/230/N", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 41, "atom1_serNum": 217, "atom2_serNum": 441, "donAcc_type": "standard", "distance": 3.159, "atom1_id": "///T/11/N6", "atom2_id": "///P/6/O4", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 42, "atom1_serNum": 218, "atom2_serNum": 439, "donAcc_type": "standard", "distance": 2.790, "atom1_id": "///T/11/N1", "atom2_id": "///P/6/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 43, "atom1_serNum": 223, "atom2_serNum": 1603, "donAcc_type": "standard", "distance": 3.954, "atom1_id": "///T/12/OP1", "atom2_id": "///A/134/N", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 44, "atom1_serNum": 236, "atom2_serNum": 421, "donAcc_type": "standard", "distance": 3.006, "atom1_id": "///T/12/N3", "atom2_id": "///P/5/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 45, "atom1_serNum": 238, "atom2_serNum": 420, "donAcc_type": "standard", "distance": 3.252, "atom1_id": "///T/12/O4", "atom2_id": "///P/5/N6", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 46, "atom1_serNum": 255, "atom2_serNum": 401, "donAcc_type": "standard", "distance": 2.827, "atom1_id": "///T/13/O2", "atom2_id": "///P/4/N2", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 47, "atom1_serNum": 256, "atom2_serNum": 399, "donAcc_type": "standard", "distance": 2.893, "atom1_id": "///T/13/N3", "atom2_id": "///P/4/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 48, "atom1_serNum": 258, "atom2_serNum": 398, "donAcc_type": "standard", "distance": 2.898, "atom1_id": "///T/13/N4", "atom2_id": "///P/4/O6", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 49, "atom1_serNum": 277, "atom2_serNum": 378, "donAcc_type": "standard", "distance": 3.064, "atom1_id": "///T/14/N6", "atom2_id": "///P/3/O4", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 50, "atom1_serNum": 278, "atom2_serNum": 376, "donAcc_type": "standard", "distance": 2.906, "atom1_id": "///T/14/N1", "atom2_id": "///P/3/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 51, "atom1_serNum": 298, "atom2_serNum": 359, "donAcc_type": "standard", "distance": 2.742, "atom1_id": "///T/15/O6", "atom2_id": "///P/2/N4", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 52, "atom1_serNum": 299, "atom2_serNum": 357, "donAcc_type": "standard", "distance": 2.903, "atom1_id": "///T/15/N1", "atom2_id": "///P/2/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 53, "atom1_serNum": 301, "atom2_serNum": 356, "donAcc_type": "standard", "distance": 2.968, "atom1_id": "///T/15/N2", "atom2_id": "///P/2/O2", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 54, "atom1_serNum": 317, "atom2_serNum": 340, "donAcc_type": "standard", "distance": 2.666, "atom1_id": "///T/16/O2", "atom2_id": "///P/1/N2", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 55, "atom1_serNum": 318, "atom2_serNum": 338, "donAcc_type": "standard", "distance": 2.849, "atom1_id": "///T/16/N3", "atom2_id": "///P/1/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 56, "atom1_serNum": 320, "atom2_serNum": 337, "donAcc_type": "standard", "distance": 3.014, "atom1_id": "///T/16/N4", "atom2_id": "///P/1/O6", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 57, "atom1_serNum": 468, "atom2_serNum": 1390, "donAcc_type": "standard", "distance": 2.994, "atom1_id": "///P/8/OP1", "atom2_id": "///A/107/N", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 58, "atom1_serNum": 468, "atom2_serNum": 1407, "donAcc_type": "standard", "distance": 2.837, "atom1_id": "///P/8/OP1", "atom2_id": "///A/110/N", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 59, "atom1_serNum": 469, "atom2_serNum": 1401, "donAcc_type": "standard", "distance": 2.952, "atom1_id": "///P/8/OP2", "atom2_id": "///A/109/N", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 60, "atom1_serNum": 487, "atom2_serNum": 1378, "donAcc_type": "standard", "distance": 2.684, "atom1_id": "///P/9/OP1", "atom2_id": "///A/105/N", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 61, "atom1_serNum": 514, "atom2_serNum": 2740, "donAcc_type": "acceptable", "distance": 2.942, "atom1_id": "///P/10/O2", "atom2_id": "///A/271/OH", "atom_pair": "O:O", "residue_pair": "nt:aa" }, { "index": 62, "atom1_serNum": 524, "atom2_serNum": 2588, "donAcc_type": "standard", "distance": 3.256, "atom1_id": "///P/10/OP1", "atom2_id": "///A/254/NE", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 63, "atom1_serNum": 524, "atom2_serNum": 2594, "donAcc_type": "standard", "distance": 2.245, "atom1_id": "///P/10/OP1", "atom2_id": "///A/254/NH2", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 64, "atom1_serNum": 527, "atom2_serNum": 831, "donAcc_type": "acceptable", "distance": 2.512, "atom1_id": "///D/1/OP3", "atom2_id": "///A/35/NZ", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 65, "atom1_serNum": 530, "atom2_serNum": 831, "donAcc_type": "standard", "distance": 3.348, "atom1_id": "///D/1/OP2", "atom2_id": "///A/35/NZ", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 66, "atom1_serNum": 551, "atom2_serNum": 1069, "donAcc_type": "standard", "distance": 2.825, "atom1_id": "///D/2/OP1", "atom2_id": "///A/66/N", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 67, "atom1_serNum": 551, "atom2_serNum": 1089, "donAcc_type": "standard", "distance": 2.994, "atom1_id": "///D/2/OP1", "atom2_id": "///A/69/N", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 68, "atom1_serNum": 552, "atom2_serNum": 1080, "donAcc_type": "standard", "distance": 3.309, "atom1_id": "///D/2/OP2", "atom2_id": "///A/68/N", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 69, "atom1_serNum": 571, "atom2_serNum": 1058, "donAcc_type": "standard", "distance": 2.886, "atom1_id": "///D/3/OP1", "atom2_id": "///A/64/N", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 70, "atom1_serNum": 637, "atom2_serNum": 639, "donAcc_type": "acceptable", "distance": 2.903, "atom1_id": "///A/10/O", "atom2_id": "///A/10/OG1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 71, "atom1_serNum": 652, "atom2_serNum": 673, "donAcc_type": "standard", "distance": 3.019, "atom1_id": "///A/12/O", "atom2_id": "///A/16/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 72, "atom1_serNum": 655, "atom2_serNum": 979, "donAcc_type": "standard", "distance": 2.694, "atom1_id": "///A/12/OD1", "atom2_id": "///A/53/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 73, "atom1_serNum": 656, "atom2_serNum": 937, "donAcc_type": "standard", "distance": 3.772, "atom1_id": "///A/12/ND2", "atom2_id": "///A/49/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 74, "atom1_serNum": 656, "atom2_serNum": 957, "donAcc_type": "standard", "distance": 2.897, "atom1_id": "///A/12/ND2", "atom2_id": "///A/51/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 75, "atom1_serNum": 660, "atom2_serNum": 680, "donAcc_type": "standard", "distance": 2.930, "atom1_id": "///A/13/O", "atom2_id": "///A/17/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 76, "atom1_serNum": 664, "atom2_serNum": 688, "donAcc_type": "standard", "distance": 3.070, "atom1_id": "///A/14/O", "atom2_id": "///A/18/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 77, "atom1_serNum": 668, "atom2_serNum": 696, "donAcc_type": "standard", "distance": 2.953, "atom1_id": "///A/15/O", "atom2_id": "///A/19/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 78, "atom1_serNum": 676, "atom2_serNum": 704, "donAcc_type": "standard", "distance": 2.890, "atom1_id": "///A/16/O", "atom2_id": "///A/20/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 79, "atom1_serNum": 676, "atom2_serNum": 709, "donAcc_type": "acceptable", "distance": 2.859, "atom1_id": "///A/16/O", "atom2_id": "///A/20/OG1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 80, "atom1_serNum": 683, "atom2_serNum": 711, "donAcc_type": "standard", "distance": 2.916, "atom1_id": "///A/17/O", "atom2_id": "///A/21/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 81, "atom1_serNum": 691, "atom2_serNum": 720, "donAcc_type": "standard", "distance": 2.955, "atom1_id": "///A/18/O", "atom2_id": "///A/22/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 82, "atom1_serNum": 699, "atom2_serNum": 728, "donAcc_type": "standard", "distance": 2.803, "atom1_id": "///A/19/O", "atom2_id": "///A/23/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 83, "atom1_serNum": 707, "atom2_serNum": 733, "donAcc_type": "standard", "distance": 2.847, "atom1_id": "///A/20/O", "atom2_id": "///A/24/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 84, "atom1_serNum": 714, "atom2_serNum": 741, "donAcc_type": "standard", "distance": 2.961, "atom1_id": "///A/21/O", "atom2_id": "///A/25/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 85, "atom1_serNum": 718, "atom2_serNum": 1261, "donAcc_type": "standard", "distance": 3.035, "atom1_id": "///A/21/OE1", "atom2_id": "///A/89/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 86, "atom1_serNum": 719, "atom2_serNum": 1258, "donAcc_type": "standard", "distance": 3.051, "atom1_id": "///A/21/OE2", "atom2_id": "///A/89/NE", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 87, "atom1_serNum": 723, "atom2_serNum": 752, "donAcc_type": "standard", "distance": 3.032, "atom1_id": "///A/22/O", "atom2_id": "///A/26/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 88, "atom1_serNum": 731, "atom2_serNum": 761, "donAcc_type": "standard", "distance": 2.972, "atom1_id": "///A/23/O", "atom2_id": "///A/27/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 89, "atom1_serNum": 736, "atom2_serNum": 770, "donAcc_type": "standard", "distance": 2.800, "atom1_id": "///A/24/O", "atom2_id": "///A/28/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 90, "atom1_serNum": 744, "atom2_serNum": 778, "donAcc_type": "standard", "distance": 2.844, "atom1_id": "///A/25/O", "atom2_id": "///A/29/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 91, "atom1_serNum": 744, "atom2_serNum": 785, "donAcc_type": "standard", "distance": 3.213, "atom1_id": "///A/25/O", "atom2_id": "///A/30/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 92, "atom1_serNum": 755, "atom2_serNum": 791, "donAcc_type": "standard", "distance": 2.854, "atom1_id": "///A/26/O", "atom2_id": "///A/31/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 93, "atom1_serNum": 755, "atom2_serNum": 800, "donAcc_type": "standard", "distance": 2.854, "atom1_id": "///A/26/O", "atom2_id": "///A/32/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 94, "atom1_serNum": 759, "atom2_serNum": 790, "donAcc_type": "acceptable", "distance": 2.808, "atom1_id": "///A/26/OE1", "atom2_id": "///A/30/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 95, "atom1_serNum": 760, "atom2_serNum": 1216, "donAcc_type": "standard", "distance": 3.925, "atom1_id": "///A/26/OE2", "atom2_id": "///A/84/NZ", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 96, "atom1_serNum": 777, "atom2_serNum": 1326, "donAcc_type": "standard", "distance": 2.959, "atom1_id": "///A/28/ND2", "atom2_id": "///A/98/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 97, "atom1_serNum": 781, "atom2_serNum": 1427, "donAcc_type": "standard", "distance": 2.948, "atom1_id": "///A/29/O", "atom2_id": "///A/112/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 98, "atom1_serNum": 803, "atom2_serNum": 823, "donAcc_type": "standard", "distance": 3.159, "atom1_id": "///A/32/O", "atom2_id": "///A/35/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 99, "atom1_serNum": 803, "atom2_serNum": 832, "donAcc_type": "standard", "distance": 3.077, "atom1_id": "///A/32/O", "atom2_id": "///A/36/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 100, "atom1_serNum": 808, "atom2_serNum": 844, "donAcc_type": "standard", "distance": 3.009, "atom1_id": "///A/33/O", "atom2_id": "///A/37/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 101, "atom1_serNum": 816, "atom2_serNum": 852, "donAcc_type": "standard", "distance": 2.889, "atom1_id": "///A/34/O", "atom2_id": "///A/38/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 102, "atom1_serNum": 826, "atom2_serNum": 857, "donAcc_type": "standard", "distance": 2.938, "atom1_id": "///A/35/O", "atom2_id": "///A/39/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 103, "atom1_serNum": 835, "atom2_serNum": 869, "donAcc_type": "standard", "distance": 3.015, "atom1_id": "///A/36/O", "atom2_id": "///A/40/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 104, "atom1_serNum": 847, "atom2_serNum": 880, "donAcc_type": "standard", "distance": 2.909, "atom1_id": "///A/37/O", "atom2_id": "///A/41/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 105, "atom1_serNum": 855, "atom2_serNum": 889, "donAcc_type": "standard", "distance": 2.953, "atom1_id": "///A/38/O", "atom2_id": "///A/42/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 106, "atom1_serNum": 860, "atom2_serNum": 894, "donAcc_type": "standard", "distance": 2.883, "atom1_id": "///A/39/O", "atom2_id": "///A/43/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 107, "atom1_serNum": 872, "atom2_serNum": 899, "donAcc_type": "standard", "distance": 2.883, "atom1_id": "///A/40/O", "atom2_id": "///A/44/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 108, "atom1_serNum": 878, "atom2_serNum": 2776, "donAcc_type": "standard", "distance": 2.695, "atom1_id": "///A/40/NH1", "atom2_id": "///A/276/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 109, "atom1_serNum": 883, "atom2_serNum": 905, "donAcc_type": "standard", "distance": 2.958, "atom1_id": "///A/41/O", "atom2_id": "///A/45/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 110, "atom1_serNum": 892, "atom2_serNum": 912, "donAcc_type": "standard", "distance": 3.024, "atom1_id": "///A/42/O", "atom2_id": "///A/46/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 111, "atom1_serNum": 897, "atom2_serNum": 920, "donAcc_type": "standard", "distance": 2.819, "atom1_id": "///A/43/O", "atom2_id": "///A/47/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 112, "atom1_serNum": 902, "atom2_serNum": 925, "donAcc_type": "standard", "distance": 3.152, "atom1_id": "///A/44/O", "atom2_id": "///A/48/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 113, "atom1_serNum": 904, "atom2_serNum": 3255, "donAcc_type": "acceptable", "distance": 2.542, "atom1_id": "///A/44/OG", "atom2_id": "///A/335/O", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 114, "atom1_serNum": 908, "atom2_serNum": 934, "donAcc_type": "standard", "distance": 3.198, "atom1_id": "///A/45/O", "atom2_id": "///A/49/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 115, "atom1_serNum": 937, "atom2_serNum": 953, "donAcc_type": "standard", "distance": 2.981, "atom1_id": "///A/49/O", "atom2_id": "///A/51/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 116, "atom1_serNum": 945, "atom2_serNum": 1019, "donAcc_type": "acceptable", "distance": 2.875, "atom1_id": "///A/49/OH", "atom2_id": "///A/58/OE2", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 117, "atom1_serNum": 957, "atom2_serNum": 979, "donAcc_type": "standard", "distance": 3.252, "atom1_id": "///A/51/O", "atom2_id": "///A/53/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 118, "atom1_serNum": 962, "atom2_serNum": 1019, "donAcc_type": "acceptable", "distance": 3.009, "atom1_id": "///A/51/ND1", "atom2_id": "///A/58/OE2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 119, "atom1_serNum": 987, "atom2_serNum": 1018, "donAcc_type": "standard", "distance": 2.831, "atom1_id": "///A/54/N", "atom2_id": "///A/58/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 120, "atom1_serNum": 999, "atom2_serNum": 1020, "donAcc_type": "standard", "distance": 3.210, "atom1_id": "///A/55/O", "atom2_id": "///A/59/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 121, "atom1_serNum": 1001, "atom2_serNum": 1011, "donAcc_type": "acceptable", "distance": 3.090, "atom1_id": "///A/55/OG", "atom2_id": "///A/58/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 122, "atom1_serNum": 1002, "atom2_serNum": 1134, "donAcc_type": "standard", "distance": 2.746, "atom1_id": "///A/56/N", "atom2_id": "///A/74/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 123, "atom1_serNum": 1005, "atom2_serNum": 1020, "donAcc_type": "standard", "distance": 2.862, "atom1_id": "///A/56/O", "atom2_id": "///A/59/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 124, "atom1_serNum": 1005, "atom2_serNum": 1025, "donAcc_type": "standard", "distance": 2.727, "atom1_id": "///A/56/O", "atom2_id": "///A/60/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 125, "atom1_serNum": 1009, "atom2_serNum": 1034, "donAcc_type": "standard", "distance": 3.527, "atom1_id": "///A/57/O", "atom2_id": "///A/61/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 126, "atom1_serNum": 1023, "atom2_serNum": 1043, "donAcc_type": "standard", "distance": 2.898, "atom1_id": "///A/59/O", "atom2_id": "///A/62/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 127, "atom1_serNum": 1028, "atom2_serNum": 1065, "donAcc_type": "questionable", "distance": 3.277, "atom1_id": "///A/60/O", "atom2_id": "///A/65/O", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 128, "atom1_serNum": 1046, "atom2_serNum": 1062, "donAcc_type": "standard", "distance": 3.385, "atom1_id": "///A/62/O", "atom2_id": "///A/65/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 129, "atom1_serNum": 1072, "atom2_serNum": 1097, "donAcc_type": "standard", "distance": 2.988, "atom1_id": "///A/66/O", "atom2_id": "///A/70/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 130, "atom1_serNum": 1076, "atom2_serNum": 1102, "donAcc_type": "standard", "distance": 2.947, "atom1_id": "///A/67/O", "atom2_id": "///A/71/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 131, "atom1_serNum": 1083, "atom2_serNum": 1111, "donAcc_type": "standard", "distance": 3.079, "atom1_id": "///A/68/O", "atom2_id": "///A/72/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 132, "atom1_serNum": 1092, "atom2_serNum": 1120, "donAcc_type": "standard", "distance": 2.805, "atom1_id": "///A/69/O", "atom2_id": "///A/73/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 133, "atom1_serNum": 1100, "atom2_serNum": 1128, "donAcc_type": "standard", "distance": 2.974, "atom1_id": "///A/70/O", "atom2_id": "///A/74/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 134, "atom1_serNum": 1105, "atom2_serNum": 1136, "donAcc_type": "standard", "distance": 3.028, "atom1_id": "///A/71/O", "atom2_id": "///A/75/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 135, "atom1_serNum": 1114, "atom2_serNum": 1145, "donAcc_type": "standard", "distance": 2.847, "atom1_id": "///A/72/O", "atom2_id": "///A/76/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 136, "atom1_serNum": 1123, "atom2_serNum": 1156, "donAcc_type": "standard", "distance": 2.844, "atom1_id": "///A/73/O", "atom2_id": "///A/77/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 137, "atom1_serNum": 1131, "atom2_serNum": 1164, "donAcc_type": "standard", "distance": 2.999, "atom1_id": "///A/74/O", "atom2_id": "///A/78/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 138, "atom1_serNum": 1139, "atom2_serNum": 1169, "donAcc_type": "standard", "distance": 2.969, "atom1_id": "///A/75/O", "atom2_id": "///A/79/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 139, "atom1_serNum": 1139, "atom2_serNum": 1174, "donAcc_type": "acceptable", "distance": 2.976, "atom1_id": "///A/75/O", "atom2_id": "///A/79/OG1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 140, "atom1_serNum": 1143, "atom2_serNum": 1207, "donAcc_type": "standard", "distance": 2.982, "atom1_id": "///A/75/OE1", "atom2_id": "///A/83/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 141, "atom1_serNum": 1144, "atom2_serNum": 1197, "donAcc_type": "standard", "distance": 2.848, "atom1_id": "///A/75/OE2", "atom2_id": "///A/83/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 142, "atom1_serNum": 1144, "atom2_serNum": 1204, "donAcc_type": "standard", "distance": 2.792, "atom1_id": "///A/75/OE2", "atom2_id": "///A/83/NE", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 143, "atom1_serNum": 1148, "atom2_serNum": 1176, "donAcc_type": "standard", "distance": 2.715, "atom1_id": "///A/76/O", "atom2_id": "///A/80/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 144, "atom1_serNum": 1174, "atom2_serNum": 1180, "donAcc_type": "acceptable", "distance": 3.199, "atom1_id": "///A/79/OG1", "atom2_id": "///A/81/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 145, "atom1_serNum": 1174, "atom2_serNum": 1183, "donAcc_type": "acceptable", "distance": 2.967, "atom1_id": "///A/79/OG1", "atom2_id": "///A/81/O", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 146, "atom1_serNum": 1192, "atom2_serNum": 1225, "donAcc_type": "standard", "distance": 2.907, "atom1_id": "///A/82/O", "atom2_id": "///A/86/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 147, "atom1_serNum": 1200, "atom2_serNum": 1234, "donAcc_type": "standard", "distance": 2.934, "atom1_id": "///A/83/O", "atom2_id": "///A/87/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 148, "atom1_serNum": 1211, "atom2_serNum": 1243, "donAcc_type": "standard", "distance": 3.097, "atom1_id": "///A/84/O", "atom2_id": "///A/88/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 149, "atom1_serNum": 1220, "atom2_serNum": 1251, "donAcc_type": "standard", "distance": 2.914, "atom1_id": "///A/85/O", "atom2_id": "///A/89/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 150, "atom1_serNum": 1228, "atom2_serNum": 1262, "donAcc_type": "standard", "distance": 3.251, "atom1_id": "///A/86/O", "atom2_id": "///A/90/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 151, "atom1_serNum": 1237, "atom2_serNum": 1271, "donAcc_type": "standard", "distance": 3.102, "atom1_id": "///A/87/O", "atom2_id": "///A/91/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 152, "atom1_serNum": 1246, "atom2_serNum": 1271, "donAcc_type": "standard", "distance": 3.078, "atom1_id": "///A/88/O", "atom2_id": "///A/91/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 153, "atom1_serNum": 1246, "atom2_serNum": 1305, "donAcc_type": "acceptable", "distance": 3.631, "atom1_id": "///A/88/O", "atom2_id": "///A/95/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 154, "atom1_serNum": 1254, "atom2_serNum": 1305, "donAcc_type": "acceptable", "distance": 2.957, "atom1_id": "///A/89/O", "atom2_id": "///A/95/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 155, "atom1_serNum": 1265, "atom2_serNum": 1279, "donAcc_type": "standard", "distance": 3.370, "atom1_id": "///A/90/O", "atom2_id": "///A/92/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 156, "atom1_serNum": 1274, "atom2_serNum": 1300, "donAcc_type": "standard", "distance": 2.946, "atom1_id": "///A/91/O", "atom2_id": "///A/95/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 157, "atom1_serNum": 1274, "atom2_serNum": 1305, "donAcc_type": "acceptable", "distance": 2.924, "atom1_id": "///A/91/O", "atom2_id": "///A/95/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 158, "atom1_serNum": 1278, "atom2_serNum": 1294, "donAcc_type": "standard", "distance": 2.861, "atom1_id": "///A/91/OD2", "atom2_id": "///A/94/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 159, "atom1_serNum": 1278, "atom2_serNum": 1299, "donAcc_type": "acceptable", "distance": 2.901, "atom1_id": "///A/91/OD2", "atom2_id": "///A/94/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 160, "atom1_serNum": 1282, "atom2_serNum": 1306, "donAcc_type": "standard", "distance": 2.875, "atom1_id": "///A/92/O", "atom2_id": "///A/96/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 161, "atom1_serNum": 1282, "atom2_serNum": 1311, "donAcc_type": "acceptable", "distance": 2.986, "atom1_id": "///A/92/O", "atom2_id": "///A/96/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 162, "atom1_serNum": 1290, "atom2_serNum": 1312, "donAcc_type": "standard", "distance": 3.043, "atom1_id": "///A/93/O", "atom2_id": "///A/97/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 163, "atom1_serNum": 1297, "atom2_serNum": 1320, "donAcc_type": "standard", "distance": 2.866, "atom1_id": "///A/94/O", "atom2_id": "///A/98/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 164, "atom1_serNum": 1303, "atom2_serNum": 1328, "donAcc_type": "standard", "distance": 2.995, "atom1_id": "///A/95/O", "atom2_id": "///A/99/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 165, "atom1_serNum": 1309, "atom2_serNum": 1339, "donAcc_type": "standard", "distance": 3.093, "atom1_id": "///A/96/O", "atom2_id": "///A/100/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 166, "atom1_serNum": 1315, "atom2_serNum": 1347, "donAcc_type": "standard", "distance": 3.239, "atom1_id": "///A/97/O", "atom2_id": "///A/101/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 167, "atom1_serNum": 1323, "atom2_serNum": 1352, "donAcc_type": "acceptable", "distance": 2.879, "atom1_id": "///A/98/O", "atom2_id": "///A/101/OG1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 168, "atom1_serNum": 1331, "atom2_serNum": 1354, "donAcc_type": "standard", "distance": 2.867, "atom1_id": "///A/99/O", "atom2_id": "///A/102/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 169, "atom1_serNum": 1342, "atom2_serNum": 1365, "donAcc_type": "standard", "distance": 3.006, "atom1_id": "///A/100/O", "atom2_id": "///A/103/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 170, "atom1_serNum": 1361, "atom2_serNum": 1726, "donAcc_type": "standard", "distance": 3.366, "atom1_id": "///A/102/NE", "atom2_id": "///A/147/OE2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 171, "atom1_serNum": 1364, "atom2_serNum": 1725, "donAcc_type": "standard", "distance": 3.027, "atom1_id": "///A/102/NH2", "atom2_id": "///A/147/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 172, "atom1_serNum": 1368, "atom2_serNum": 1382, "donAcc_type": "standard", "distance": 3.009, "atom1_id": "///A/103/O", "atom2_id": "///A/106/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 173, "atom1_serNum": 1377, "atom2_serNum": 1622, "donAcc_type": "acceptable", "distance": 2.682, "atom1_id": "///A/104/OG", "atom2_id": "///A/135/NE2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 174, "atom1_serNum": 1381, "atom2_serNum": 1631, "donAcc_type": "standard", "distance": 2.886, "atom1_id": "///A/105/O", "atom2_id": "///A/136/NE2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 175, "atom1_serNum": 1393, "atom2_serNum": 1412, "donAcc_type": "standard", "distance": 2.925, "atom1_id": "///A/107/O", "atom2_id": "///A/111/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 176, "atom1_serNum": 1397, "atom2_serNum": 1417, "donAcc_type": "standard", "distance": 3.150, "atom1_id": "///A/108/O", "atom2_id": "///A/112/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 177, "atom1_serNum": 1404, "atom2_serNum": 1428, "donAcc_type": "standard", "distance": 2.950, "atom1_id": "///A/109/O", "atom2_id": "///A/113/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 178, "atom1_serNum": 1410, "atom2_serNum": 1437, "donAcc_type": "standard", "distance": 2.787, "atom1_id": "///A/110/O", "atom2_id": "///A/114/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 179, "atom1_serNum": 1415, "atom2_serNum": 1448, "donAcc_type": "standard", "distance": 2.980, "atom1_id": "///A/111/O", "atom2_id": "///A/115/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 180, "atom1_serNum": 1420, "atom2_serNum": 1455, "donAcc_type": "standard", "distance": 2.909, "atom1_id": "///A/112/O", "atom2_id": "///A/116/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 181, "atom1_serNum": 1431, "atom2_serNum": 1463, "donAcc_type": "standard", "distance": 3.286, "atom1_id": "///A/113/O", "atom2_id": "///A/117/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 182, "atom1_serNum": 1440, "atom2_serNum": 1463, "donAcc_type": "standard", "distance": 3.103, "atom1_id": "///A/114/O", "atom2_id": "///A/117/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 183, "atom1_serNum": 1440, "atom2_serNum": 1472, "donAcc_type": "standard", "distance": 3.270, "atom1_id": "///A/114/O", "atom2_id": "///A/118/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 184, "atom1_serNum": 1440, "atom2_serNum": 1476, "donAcc_type": "standard", "distance": 2.824, "atom1_id": "///A/114/O", "atom2_id": "///A/119/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 185, "atom1_serNum": 1451, "atom2_serNum": 1472, "donAcc_type": "standard", "distance": 2.993, "atom1_id": "///A/115/O", "atom2_id": "///A/118/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 186, "atom1_serNum": 1451, "atom2_serNum": 1492, "donAcc_type": "standard", "distance": 2.721, "atom1_id": "///A/115/O", "atom2_id": "///A/120/NZ", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 187, "atom1_serNum": 1484, "atom2_serNum": 1524, "donAcc_type": "standard", "distance": 2.929, "atom1_id": "///A/120/N", "atom2_id": "///A/124/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 188, "atom1_serNum": 1493, "atom2_serNum": 1524, "donAcc_type": "standard", "distance": 3.146, "atom1_id": "///A/121/N", "atom2_id": "///A/124/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 189, "atom1_serNum": 1496, "atom2_serNum": 1525, "donAcc_type": "standard", "distance": 3.151, "atom1_id": "///A/121/O", "atom2_id": "///A/125/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 190, "atom1_serNum": 1498, "atom2_serNum": 1517, "donAcc_type": "acceptable", "distance": 3.247, "atom1_id": "///A/121/OG1", "atom2_id": "///A/124/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 191, "atom1_serNum": 1503, "atom2_serNum": 1533, "donAcc_type": "standard", "distance": 3.038, "atom1_id": "///A/122/O", "atom2_id": "///A/126/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 192, "atom1_serNum": 1511, "atom2_serNum": 1544, "donAcc_type": "standard", "distance": 2.760, "atom1_id": "///A/123/O", "atom2_id": "///A/127/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 193, "atom1_serNum": 1515, "atom2_serNum": 1542, "donAcc_type": "standard", "distance": 3.989, "atom1_id": "///A/123/OE1", "atom2_id": "///A/126/NH1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 194, "atom1_serNum": 1520, "atom2_serNum": 1553, "donAcc_type": "standard", "distance": 3.015, "atom1_id": "///A/124/O", "atom2_id": "///A/128/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 195, "atom1_serNum": 1520, "atom2_serNum": 1560, "donAcc_type": "standard", "distance": 2.823, "atom1_id": "///A/124/O", "atom2_id": "///A/128/ND2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 196, "atom1_serNum": 1528, "atom2_serNum": 1553, "donAcc_type": "standard", "distance": 2.893, "atom1_id": "///A/125/O", "atom2_id": "///A/128/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 197, "atom1_serNum": 1528, "atom2_serNum": 1561, "donAcc_type": "standard", "distance": 3.122, "atom1_id": "///A/125/O", "atom2_id": "///A/129/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 198, "atom1_serNum": 1552, "atom2_serNum": 1560, "donAcc_type": "questionable", "distance": 2.954, "atom1_id": "///A/127/NZ", "atom2_id": "///A/128/ND2", "atom_pair": "N:N", "residue_pair": "aa:aa" }, { "index": 199, "atom1_serNum": 1556, "atom2_serNum": 1578, "donAcc_type": "standard", "distance": 2.843, "atom1_id": "///A/128/O", "atom2_id": "///A/131/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 200, "atom1_serNum": 1559, "atom2_serNum": 1586, "donAcc_type": "standard", "distance": 2.813, "atom1_id": "///A/128/OD1", "atom2_id": "///A/131/NZ", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 201, "atom1_serNum": 1564, "atom2_serNum": 1587, "donAcc_type": "standard", "distance": 3.371, "atom1_id": "///A/129/O", "atom2_id": "///A/132/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 202, "atom1_serNum": 1570, "atom2_serNum": 1576, "donAcc_type": "standard", "distance": 2.551, "atom1_id": "///A/130/N", "atom2_id": "///A/130/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 203, "atom1_serNum": 1576, "atom2_serNum": 1578, "donAcc_type": "standard", "distance": 3.267, "atom1_id": "///A/130/OD1", "atom2_id": "///A/131/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 204, "atom1_serNum": 1595, "atom2_serNum": 1630, "donAcc_type": "standard", "distance": 2.979, "atom1_id": "///A/133/N", "atom2_id": "///A/136/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 205, "atom1_serNum": 1598, "atom2_serNum": 1632, "donAcc_type": "standard", "distance": 2.943, "atom1_id": "///A/133/O", "atom2_id": "///A/137/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 206, "atom1_serNum": 1601, "atom2_serNum": 1613, "donAcc_type": "standard", "distance": 3.180, "atom1_id": "///A/133/OD1", "atom2_id": "///A/135/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 207, "atom1_serNum": 1601, "atom2_serNum": 1623, "donAcc_type": "standard", "distance": 2.886, "atom1_id": "///A/133/OD1", "atom2_id": "///A/136/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 208, "atom1_serNum": 1606, "atom2_serNum": 1643, "donAcc_type": "standard", "distance": 3.025, "atom1_id": "///A/134/O", "atom2_id": "///A/138/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 209, "atom1_serNum": 1612, "atom2_serNum": 2367, "donAcc_type": "standard", "distance": 2.660, "atom1_id": "///A/134/NE2", "atom2_id": "///A/227/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 210, "atom1_serNum": 1616, "atom2_serNum": 1651, "donAcc_type": "standard", "distance": 2.844, "atom1_id": "///A/135/O", "atom2_id": "///A/139/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 211, "atom1_serNum": 1626, "atom2_serNum": 1655, "donAcc_type": "standard", "distance": 2.785, "atom1_id": "///A/136/O", "atom2_id": "///A/140/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 212, "atom1_serNum": 1635, "atom2_serNum": 1663, "donAcc_type": "standard", "distance": 2.967, "atom1_id": "///A/137/O", "atom2_id": "///A/141/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 213, "atom1_serNum": 1646, "atom2_serNum": 1672, "donAcc_type": "standard", "distance": 3.201, "atom1_id": "///A/138/O", "atom2_id": "///A/142/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 214, "atom1_serNum": 1658, "atom2_serNum": 1684, "donAcc_type": "standard", "distance": 3.224, "atom1_id": "///A/140/O", "atom2_id": "///A/143/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 215, "atom1_serNum": 1671, "atom2_serNum": 2363, "donAcc_type": "standard", "distance": 2.999, "atom1_id": "///A/141/NZ", "atom2_id": "///A/226/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 216, "atom1_serNum": 1675, "atom2_serNum": 1707, "donAcc_type": "standard", "distance": 2.811, "atom1_id": "///A/142/O", "atom2_id": "///A/146/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 217, "atom1_serNum": 1683, "atom2_serNum": 2362, "donAcc_type": "acceptable", "distance": 2.609, "atom1_id": "///A/142/OH", "atom2_id": "///A/226/OD1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 218, "atom1_serNum": 1687, "atom2_serNum": 1718, "donAcc_type": "standard", "distance": 3.395, "atom1_id": "///A/143/O", "atom2_id": "///A/147/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 219, "atom1_serNum": 1698, "atom2_serNum": 1718, "donAcc_type": "standard", "distance": 3.170, "atom1_id": "///A/144/O", "atom2_id": "///A/147/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 220, "atom1_serNum": 1702, "atom2_serNum": 1727, "donAcc_type": "standard", "distance": 3.008, "atom1_id": "///A/145/O", "atom2_id": "///A/148/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 221, "atom1_serNum": 1706, "atom2_serNum": 2556, "donAcc_type": "standard", "distance": 2.743, "atom1_id": "///A/145/OD2", "atom2_id": "///A/252/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 222, "atom1_serNum": 1746, "atom2_serNum": 2050, "donAcc_type": "standard", "distance": 2.749, "atom1_id": "///A/149/NH2", "atom2_id": "///A/187/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 223, "atom1_serNum": 1746, "atom2_serNum": 2052, "donAcc_type": "acceptable", "distance": 2.924, "atom1_id": "///A/149/NH2", "atom2_id": "///A/187/OG", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 224, "atom1_serNum": 1747, "atom2_serNum": 2056, "donAcc_type": "standard", "distance": 2.756, "atom1_id": "///A/150/N", "atom2_id": "///A/188/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 225, "atom1_serNum": 1750, "atom2_serNum": 2053, "donAcc_type": "standard", "distance": 3.013, "atom1_id": "///A/150/O", "atom2_id": "///A/188/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 226, "atom1_serNum": 1758, "atom2_serNum": 1782, "donAcc_type": "standard", "distance": 2.798, "atom1_id": "///A/151/O", "atom2_id": "///A/154/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 227, "atom1_serNum": 1758, "atom2_serNum": 1791, "donAcc_type": "standard", "distance": 3.033, "atom1_id": "///A/151/O", "atom2_id": "///A/155/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 228, "atom1_serNum": 1762, "atom2_serNum": 2041, "donAcc_type": "standard", "distance": 3.046, "atom1_id": "///A/152/N", "atom2_id": "///A/186/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 229, "atom1_serNum": 1765, "atom2_serNum": 1799, "donAcc_type": "standard", "distance": 2.935, "atom1_id": "///A/152/O", "atom2_id": "///A/156/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 230, "atom1_serNum": 1771, "atom2_serNum": 1999, "donAcc_type": "standard", "distance": 3.001, "atom1_id": "///A/152/NH1", "atom2_id": "///A/181/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 231, "atom1_serNum": 1771, "atom2_serNum": 2036, "donAcc_type": "standard", "distance": 3.008, "atom1_id": "///A/152/NH1", "atom2_id": "///A/185/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 232, "atom1_serNum": 1776, "atom2_serNum": 1807, "donAcc_type": "standard", "distance": 3.317, "atom1_id": "///A/153/O", "atom2_id": "///A/157/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 233, "atom1_serNum": 1785, "atom2_serNum": 1816, "donAcc_type": "standard", "distance": 2.875, "atom1_id": "///A/154/O", "atom2_id": "///A/158/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 234, "atom1_serNum": 1789, "atom2_serNum": 2576, "donAcc_type": "standard", "distance": 2.864, "atom1_id": "///A/154/OE1", "atom2_id": "///A/253/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 235, "atom1_serNum": 1794, "atom2_serNum": 1824, "donAcc_type": "standard", "distance": 2.805, "atom1_id": "///A/155/O", "atom2_id": "///A/159/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 236, "atom1_serNum": 1802, "atom2_serNum": 1833, "donAcc_type": "standard", "distance": 3.037, "atom1_id": "///A/156/O", "atom2_id": "///A/160/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 237, "atom1_serNum": 1810, "atom2_serNum": 1846, "donAcc_type": "standard", "distance": 3.103, "atom1_id": "///A/157/O", "atom2_id": "///A/161/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 238, "atom1_serNum": 1819, "atom2_serNum": 1854, "donAcc_type": "standard", "distance": 2.921, "atom1_id": "///A/158/O", "atom2_id": "///A/162/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 239, "atom1_serNum": 1827, "atom2_serNum": 1861, "donAcc_type": "standard", "distance": 2.886, "atom1_id": "///A/159/O", "atom2_id": "///A/163/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 240, "atom1_serNum": 1837, "atom2_serNum": 1869, "donAcc_type": "standard", "distance": 3.077, "atom1_id": "///A/160/O", "atom2_id": "///A/164/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 241, "atom1_serNum": 1837, "atom2_serNum": 1875, "donAcc_type": "questionable", "distance": 2.894, "atom1_id": "///A/160/O", "atom2_id": "///A/164/OD1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 242, "atom1_serNum": 1849, "atom2_serNum": 1877, "donAcc_type": "standard", "distance": 2.847, "atom1_id": "///A/161/O", "atom2_id": "///A/165/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 243, "atom1_serNum": 1857, "atom2_serNum": 1886, "donAcc_type": "standard", "distance": 2.934, "atom1_id": "///A/162/O", "atom2_id": "///A/166/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 244, "atom1_serNum": 1864, "atom2_serNum": 1893, "donAcc_type": "standard", "distance": 2.850, "atom1_id": "///A/163/O", "atom2_id": "///A/167/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 245, "atom1_serNum": 1872, "atom2_serNum": 1902, "donAcc_type": "standard", "distance": 2.956, "atom1_id": "///A/164/O", "atom2_id": "///A/168/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 246, "atom1_serNum": 1880, "atom2_serNum": 1911, "donAcc_type": "standard", "distance": 3.208, "atom1_id": "///A/165/O", "atom2_id": "///A/169/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 247, "atom1_serNum": 1884, "atom2_serNum": 1910, "donAcc_type": "standard", "distance": 2.940, "atom1_id": "///A/165/OE1", "atom2_id": "///A/168/NZ", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 248, "atom1_serNum": 1884, "atom2_serNum": 2286, "donAcc_type": "standard", "distance": 2.764, "atom1_id": "///A/165/OE1", "atom2_id": "///A/217/NE2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 249, "atom1_serNum": 1885, "atom2_serNum": 1910, "donAcc_type": "standard", "distance": 3.121, "atom1_id": "///A/165/OE2", "atom2_id": "///A/168/NZ", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 250, "atom1_serNum": 1889, "atom2_serNum": 1911, "donAcc_type": "standard", "distance": 3.026, "atom1_id": "///A/166/O", "atom2_id": "///A/169/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 251, "atom1_serNum": 1889, "atom2_serNum": 1918, "donAcc_type": "standard", "distance": 3.170, "atom1_id": "///A/166/O", "atom2_id": "///A/170/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 252, "atom1_serNum": 1921, "atom2_serNum": 1941, "donAcc_type": "standard", "distance": 3.158, "atom1_id": "///A/170/O", "atom2_id": "///A/173/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 253, "atom1_serNum": 1924, "atom2_serNum": 1926, "donAcc_type": "standard", "distance": 2.895, "atom1_id": "///A/170/OD1", "atom2_id": "///A/171/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 254, "atom1_serNum": 1924, "atom2_serNum": 1932, "donAcc_type": "standard", "distance": 2.900, "atom1_id": "///A/170/OD1", "atom2_id": "///A/172/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 255, "atom1_serNum": 1925, "atom2_serNum": 2126, "donAcc_type": "standard", "distance": 2.667, "atom1_id": "///A/170/OD2", "atom2_id": "///A/197/NE2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 256, "atom1_serNum": 1952, "atom2_serNum": 2223, "donAcc_type": "acceptable", "distance": 2.726, "atom1_id": "///A/173/OH", "atom2_id": "///A/210/O", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 257, "atom1_serNum": 1953, "atom2_serNum": 2113, "donAcc_type": "standard", "distance": 2.965, "atom1_id": "///A/174/N", "atom2_id": "///A/196/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 258, "atom1_serNum": 1956, "atom2_serNum": 2110, "donAcc_type": "standard", "distance": 2.929, "atom1_id": "///A/174/O", "atom2_id": "///A/196/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 259, "atom1_serNum": 1966, "atom2_serNum": 2097, "donAcc_type": "standard", "distance": 2.700, "atom1_id": "///A/176/N", "atom2_id": "///A/194/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 260, "atom1_serNum": 1969, "atom2_serNum": 2094, "donAcc_type": "standard", "distance": 2.601, "atom1_id": "///A/176/O", "atom2_id": "///A/194/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 261, "atom1_serNum": 1971, "atom2_serNum": 2691, "donAcc_type": "acceptable", "distance": 3.979, "atom1_id": "///A/176/OG1", "atom2_id": "///A/265/OH", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 262, "atom1_serNum": 1980, "atom2_serNum": 2082, "donAcc_type": "standard", "distance": 2.732, "atom1_id": "///A/178/N", "atom2_id": "///A/192/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 263, "atom1_serNum": 1983, "atom2_serNum": 1996, "donAcc_type": "standard", "distance": 3.515, "atom1_id": "///A/178/O", "atom2_id": "///A/181/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 264, "atom1_serNum": 1986, "atom2_serNum": 2744, "donAcc_type": "standard", "distance": 2.814, "atom1_id": "///A/179/N", "atom2_id": "///A/272/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 265, "atom1_serNum": 1989, "atom2_serNum": 2018, "donAcc_type": "standard", "distance": 3.354, "atom1_id": "///A/179/O", "atom2_id": "///A/183/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 266, "atom1_serNum": 1990, "atom2_serNum": 3286, "donAcc_type": "standard", "distance": 3.138, "atom1_id": "///A/180/N", "atom2_id": "///A/404/O1B", "atom_pair": "N:O", "residue_pair": "aa:ligand" }, { "index": 267, "atom1_serNum": 1993, "atom2_serNum": 2029, "donAcc_type": "standard", "distance": 3.138, "atom1_id": "///A/180/O", "atom2_id": "///A/184/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 268, "atom1_serNum": 1993, "atom2_serNum": 2033, "donAcc_type": "standard", "distance": 3.053, "atom1_id": "///A/180/O", "atom2_id": "///A/185/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 269, "atom1_serNum": 1995, "atom2_serNum": 2058, "donAcc_type": "acceptable", "distance": 2.761, "atom1_id": "///A/180/OG", "atom2_id": "///A/188/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 270, "atom1_serNum": 1995, "atom2_serNum": 3293, "donAcc_type": "acceptable", "distance": 2.460, "atom1_id": "///A/180/OG", "atom2_id": "///A/404/O3G", "atom_pair": "O:O", "residue_pair": "aa:ligand" }, { "index": 271, "atom1_serNum": 1999, "atom2_serNum": 2029, "donAcc_type": "standard", "distance": 2.958, "atom1_id": "///A/181/O", "atom2_id": "///A/184/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 272, "atom1_serNum": 2016, "atom2_serNum": 2757, "donAcc_type": "acceptable", "distance": 2.804, "atom1_id": "///A/182/NH1", "atom2_id": "///A/273/OG1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 273, "atom1_serNum": 2017, "atom2_serNum": 3082, "donAcc_type": "standard", "distance": 2.712, "atom1_id": "///A/182/NH2", "atom2_id": "///A/316/OE2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 274, "atom1_serNum": 2025, "atom2_serNum": 3251, "donAcc_type": "acceptable", "distance": 2.858, "atom1_id": "///A/183/NE", "atom2_id": "///A/334/OG", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 275, "atom1_serNum": 2027, "atom2_serNum": 2755, "donAcc_type": "standard", "distance": 2.782, "atom1_id": "///A/183/NH1", "atom2_id": "///A/273/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 276, "atom1_serNum": 2027, "atom2_serNum": 3282, "donAcc_type": "acceptable", "distance": 2.781, "atom1_id": "///A/183/NH1", "atom2_id": "///A/404/O2B", "atom_pair": "N:O", "residue_pair": "aa:ligand" }, { "index": 277, "atom1_serNum": 2059, "atom2_serNum": 3288, "donAcc_type": "acceptable", "distance": 3.080, "atom1_id": "///A/189/N", "atom2_id": "///A/404/O2G", "atom_pair": "N:O", "residue_pair": "aa:ligand" }, { "index": 278, "atom1_serNum": 2069, "atom2_serNum": 2086, "donAcc_type": "questionable", "distance": 3.065, "atom1_id": "///A/190/OD1", "atom2_id": "///A/192/OD2", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 279, "atom1_serNum": 2071, "atom2_serNum": 2581, "donAcc_type": "standard", "distance": 3.134, "atom1_id": "///A/191/N", "atom2_id": "///A/254/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 280, "atom1_serNum": 2074, "atom2_serNum": 2604, "donAcc_type": "standard", "distance": 2.942, "atom1_id": "///A/191/O", "atom2_id": "///A/256/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 281, "atom1_serNum": 2087, "atom2_serNum": 2607, "donAcc_type": "standard", "distance": 2.866, "atom1_id": "///A/193/N", "atom2_id": "///A/256/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 282, "atom1_serNum": 2090, "atom2_serNum": 2620, "donAcc_type": "standard", "distance": 2.933, "atom1_id": "///A/193/O", "atom2_id": "///A/258/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 283, "atom1_serNum": 2102, "atom2_serNum": 2623, "donAcc_type": "standard", "distance": 2.860, "atom1_id": "///A/195/N", "atom2_id": "///A/258/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 284, "atom1_serNum": 2105, "atom2_serNum": 2639, "donAcc_type": "standard", "distance": 2.995, "atom1_id": "///A/195/O", "atom2_id": "///A/260/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 285, "atom1_serNum": 2120, "atom2_serNum": 2140, "donAcc_type": "standard", "distance": 2.967, "atom1_id": "///A/197/O", "atom2_id": "///A/200/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 286, "atom1_serNum": 2123, "atom2_serNum": 2134, "donAcc_type": "acceptable", "distance": 3.008, "atom1_id": "///A/197/ND1", "atom2_id": "///A/199/N", "atom_pair": "N:N", "residue_pair": "aa:aa" }, { "index": 287, "atom1_serNum": 2137, "atom2_serNum": 2176, "donAcc_type": "questionable", "distance": 3.214, "atom1_id": "///A/199/O", "atom2_id": "///A/204/O", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 288, "atom1_serNum": 2137, "atom2_serNum": 2186, "donAcc_type": "standard", "distance": 2.932, "atom1_id": "///A/199/O", "atom2_id": "///A/206/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 289, "atom1_serNum": 2143, "atom2_serNum": 2654, "donAcc_type": "standard", "distance": 2.984, "atom1_id": "///A/200/O", "atom2_id": "///A/262/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 290, "atom1_serNum": 2151, "atom2_serNum": 2176, "donAcc_type": "standard", "distance": 2.917, "atom1_id": "///A/201/N", "atom2_id": "///A/204/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 291, "atom1_serNum": 2156, "atom2_serNum": 2164, "donAcc_type": "acceptable", "distance": 3.150, "atom1_id": "///A/201/OG1", "atom2_id": "///A/203/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 292, "atom1_serNum": 2156, "atom2_serNum": 2173, "donAcc_type": "acceptable", "distance": 3.271, "atom1_id": "///A/201/OG1", "atom2_id": "///A/204/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 293, "atom1_serNum": 2158, "atom2_serNum": 2669, "donAcc_type": "standard", "distance": 2.855, "atom1_id": "///A/202/N", "atom2_id": "///A/263/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 294, "atom1_serNum": 2163, "atom2_serNum": 2670, "donAcc_type": "acceptable", "distance": 2.481, "atom1_id": "///A/202/OG", "atom2_id": "///A/263/OD2", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 295, "atom1_serNum": 2203, "atom2_serNum": 2253, "donAcc_type": "standard", "distance": 3.202, "atom1_id": "///A/207/NE2", "atom2_id": "///A/213/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 296, "atom1_serNum": 2214, "atom2_serNum": 2246, "donAcc_type": "standard", "distance": 2.844, "atom1_id": "///A/209/O", "atom2_id": "///A/213/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 297, "atom1_serNum": 2223, "atom2_serNum": 2255, "donAcc_type": "standard", "distance": 3.662, "atom1_id": "///A/210/O", "atom2_id": "///A/214/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 298, "atom1_serNum": 2231, "atom2_serNum": 2255, "donAcc_type": "standard", "distance": 3.044, "atom1_id": "///A/211/O", "atom2_id": "///A/214/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 299, "atom1_serNum": 2231, "atom2_serNum": 2262, "donAcc_type": "standard", "distance": 2.979, "atom1_id": "///A/211/O", "atom2_id": "///A/215/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 300, "atom1_serNum": 2239, "atom2_serNum": 2269, "donAcc_type": "standard", "distance": 2.714, "atom1_id": "///A/212/O", "atom2_id": "///A/216/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 301, "atom1_serNum": 2249, "atom2_serNum": 2278, "donAcc_type": "standard", "distance": 3.104, "atom1_id": "///A/213/O", "atom2_id": "///A/217/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 302, "atom1_serNum": 2258, "atom2_serNum": 2287, "donAcc_type": "standard", "distance": 3.026, "atom1_id": "///A/214/O", "atom2_id": "///A/218/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 303, "atom1_serNum": 2265, "atom2_serNum": 2295, "donAcc_type": "standard", "distance": 2.877, "atom1_id": "///A/215/O", "atom2_id": "///A/219/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 304, "atom1_serNum": 2272, "atom2_serNum": 2304, "donAcc_type": "standard", "distance": 2.901, "atom1_id": "///A/216/O", "atom2_id": "///A/220/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 305, "atom1_serNum": 2281, "atom2_serNum": 2313, "donAcc_type": "standard", "distance": 3.250, "atom1_id": "///A/217/O", "atom2_id": "///A/221/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 306, "atom1_serNum": 2290, "atom2_serNum": 2330, "donAcc_type": "standard", "distance": 2.866, "atom1_id": "///A/218/O", "atom2_id": "///A/223/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 307, "atom1_serNum": 2290, "atom2_serNum": 2341, "donAcc_type": "standard", "distance": 3.098, "atom1_id": "///A/218/O", "atom2_id": "///A/224/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 308, "atom1_serNum": 2298, "atom2_serNum": 2320, "donAcc_type": "standard", "distance": 2.838, "atom1_id": "///A/219/O", "atom2_id": "///A/222/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 309, "atom1_serNum": 2303, "atom2_serNum": 2369, "donAcc_type": "acceptable", "distance": 3.794, "atom1_id": "///A/219/NE2", "atom2_id": "///A/227/OG1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 310, "atom1_serNum": 2333, "atom2_serNum": 2459, "donAcc_type": "standard", "distance": 2.969, "atom1_id": "///A/223/O", "atom2_id": "///A/240/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 311, "atom1_serNum": 2349, "atom2_serNum": 2449, "donAcc_type": "standard", "distance": 2.902, "atom1_id": "///A/225/N", "atom2_id": "///A/238/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 312, "atom1_serNum": 2354, "atom2_serNum": 2362, "donAcc_type": "acceptable", "distance": 2.706, "atom1_id": "///A/225/OG1", "atom2_id": "///A/226/OD1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 313, "atom1_serNum": 2359, "atom2_serNum": 2446, "donAcc_type": "standard", "distance": 2.947, "atom1_id": "///A/226/O", "atom2_id": "///A/238/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 314, "atom1_serNum": 2371, "atom2_serNum": 2437, "donAcc_type": "standard", "distance": 2.717, "atom1_id": "///A/228/N", "atom2_id": "///A/236/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 315, "atom1_serNum": 2379, "atom2_serNum": 2437, "donAcc_type": "standard", "distance": 3.012, "atom1_id": "///A/229/N", "atom2_id": "///A/236/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 316, "atom1_serNum": 2382, "atom2_serNum": 2434, "donAcc_type": "standard", "distance": 2.898, "atom1_id": "///A/229/O", "atom2_id": "///A/236/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 317, "atom1_serNum": 2394, "atom2_serNum": 2417, "donAcc_type": "standard", "distance": 3.024, "atom1_id": "///A/231/N", "atom2_id": "///A/234/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 318, "atom1_serNum": 2410, "atom2_serNum": 2631, "donAcc_type": "standard", "distance": 2.790, "atom1_id": "///A/233/O", "atom2_id": "///A/259/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 319, "atom1_serNum": 2423, "atom2_serNum": 2615, "donAcc_type": "standard", "distance": 2.822, "atom1_id": "///A/235/N", "atom2_id": "///A/257/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 320, "atom1_serNum": 2426, "atom2_serNum": 2612, "donAcc_type": "standard", "distance": 2.773, "atom1_id": "///A/235/O", "atom2_id": "///A/257/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 321, "atom1_serNum": 2442, "atom2_serNum": 2599, "donAcc_type": "standard", "distance": 2.792, "atom1_id": "///A/237/N", "atom2_id": "///A/255/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 322, "atom1_serNum": 2445, "atom2_serNum": 2592, "donAcc_type": "standard", "distance": 3.125, "atom1_id": "///A/237/O", "atom2_id": "///A/254/NH1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 323, "atom1_serNum": 2445, "atom2_serNum": 2596, "donAcc_type": "standard", "distance": 2.869, "atom1_id": "///A/237/O", "atom2_id": "///A/255/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 324, "atom1_serNum": 2453, "atom2_serNum": 2569, "donAcc_type": "standard", "distance": 2.719, "atom1_id": "///A/239/N", "atom2_id": "///A/253/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 325, "atom1_serNum": 2456, "atom2_serNum": 2566, "donAcc_type": "standard", "distance": 2.666, "atom1_id": "///A/239/O", "atom2_id": "///A/253/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 326, "atom1_serNum": 2467, "atom2_serNum": 2535, "donAcc_type": "standard", "distance": 2.889, "atom1_id": "///A/240/NE2", "atom2_id": "///A/249/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 327, "atom1_serNum": 2467, "atom2_serNum": 2540, "donAcc_type": "standard", "distance": 2.811, "atom1_id": "///A/240/NE2", "atom2_id": "///A/250/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 328, "atom1_serNum": 2489, "atom2_serNum": 2521, "donAcc_type": "standard", "distance": 3.227, "atom1_id": "///A/244/N", "atom2_id": "///A/247/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 329, "atom1_serNum": 2492, "atom2_serNum": 2514, "donAcc_type": "standard", "distance": 2.980, "atom1_id": "///A/244/O", "atom2_id": "///A/247/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 330, "atom1_serNum": 2556, "atom2_serNum": 2562, "donAcc_type": "acceptable", "distance": 3.242, "atom1_id": "///A/252/N", "atom2_id": "///A/252/ND1", "atom_pair": "N:N", "residue_pair": "aa:aa" }, { "index": 331, "atom1_serNum": 2592, "atom2_serNum": 2610, "donAcc_type": "standard", "distance": 2.915, "atom1_id": "///A/254/NH1", "atom2_id": "///A/256/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 332, "atom1_serNum": 2594, "atom2_serNum": 2610, "donAcc_type": "standard", "distance": 2.891, "atom1_id": "///A/254/NH2", "atom2_id": "///A/256/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 333, "atom1_serNum": 2629, "atom2_serNum": 2932, "donAcc_type": "standard", "distance": 3.196, "atom1_id": "///A/258/NH1", "atom2_id": "///A/295/OE2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 334, "atom1_serNum": 2630, "atom2_serNum": 2932, "donAcc_type": "standard", "distance": 2.755, "atom1_id": "///A/258/NH2", "atom2_id": "///A/295/OE2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 335, "atom1_serNum": 2630, "atom2_serNum": 2944, "donAcc_type": "acceptable", "distance": 2.883, "atom1_id": "///A/258/NH2", "atom2_id": "///A/296/OH", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 336, "atom1_serNum": 2650, "atom2_serNum": 2671, "donAcc_type": "standard", "distance": 2.792, "atom1_id": "///A/261/O", "atom2_id": "///A/264/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 337, "atom1_serNum": 2657, "atom2_serNum": 2680, "donAcc_type": "standard", "distance": 3.209, "atom1_id": "///A/262/O", "atom2_id": "///A/265/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 338, "atom1_serNum": 2663, "atom2_serNum": 2669, "donAcc_type": "standard", "distance": 2.760, "atom1_id": "///A/263/N", "atom2_id": "///A/263/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 339, "atom1_serNum": 2674, "atom2_serNum": 2710, "donAcc_type": "standard", "distance": 3.004, "atom1_id": "///A/264/O", "atom2_id": "///A/268/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 340, "atom1_serNum": 2683, "atom2_serNum": 2714, "donAcc_type": "standard", "distance": 2.663, "atom1_id": "///A/265/O", "atom2_id": "///A/269/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 341, "atom1_serNum": 2695, "atom2_serNum": 2721, "donAcc_type": "standard", "distance": 3.040, "atom1_id": "///A/266/O", "atom2_id": "///A/270/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 342, "atom1_serNum": 2707, "atom2_serNum": 2729, "donAcc_type": "standard", "distance": 3.027, "atom1_id": "///A/267/O", "atom2_id": "///A/271/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 343, "atom1_serNum": 2713, "atom2_serNum": 2741, "donAcc_type": "standard", "distance": 2.950, "atom1_id": "///A/268/O", "atom2_id": "///A/272/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 344, "atom1_serNum": 2717, "atom2_serNum": 2752, "donAcc_type": "standard", "distance": 2.998, "atom1_id": "///A/269/O", "atom2_id": "///A/273/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 345, "atom1_serNum": 2717, "atom2_serNum": 2757, "donAcc_type": "acceptable", "distance": 2.668, "atom1_id": "///A/269/O", "atom2_id": "///A/273/OG1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 346, "atom1_serNum": 2724, "atom2_serNum": 2759, "donAcc_type": "standard", "distance": 3.432, "atom1_id": "///A/270/O", "atom2_id": "///A/274/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 347, "atom1_serNum": 2732, "atom2_serNum": 2803, "donAcc_type": "standard", "distance": 2.805, "atom1_id": "///A/271/O", "atom2_id": "///A/279/ND2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 348, "atom1_serNum": 2763, "atom2_serNum": 3238, "donAcc_type": "standard", "distance": 2.998, "atom1_id": "///A/275/N", "atom2_id": "///A/333/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 349, "atom1_serNum": 2766, "atom2_serNum": 2796, "donAcc_type": "standard", "distance": 2.879, "atom1_id": "///A/275/O", "atom2_id": "///A/279/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 350, "atom1_serNum": 2768, "atom2_serNum": 2785, "donAcc_type": "acceptable", "distance": 3.065, "atom1_id": "///A/275/OG", "atom2_id": "///A/278/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 351, "atom1_serNum": 2768, "atom2_serNum": 3252, "donAcc_type": "acceptable", "distance": 3.149, "atom1_id": "///A/275/OG", "atom2_id": "///A/335/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 352, "atom1_serNum": 2768, "atom2_serNum": 3261, "donAcc_type": "acceptable", "distance": 2.616, "atom1_id": "///A/275/OG", "atom2_id": "///A/335/OXT", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 353, "atom1_serNum": 2769, "atom2_serNum": 2775, "donAcc_type": "standard", "distance": 2.718, "atom1_id": "///A/276/N", "atom2_id": "///A/276/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 354, "atom1_serNum": 2772, "atom2_serNum": 2804, "donAcc_type": "standard", "distance": 2.939, "atom1_id": "///A/276/O", "atom2_id": "///A/280/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 355, "atom1_serNum": 2775, "atom2_serNum": 2777, "donAcc_type": "standard", "distance": 2.690, "atom1_id": "///A/276/OD1", "atom2_id": "///A/277/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 356, "atom1_serNum": 2780, "atom2_serNum": 2813, "donAcc_type": "standard", "distance": 2.813, "atom1_id": "///A/277/O", "atom2_id": "///A/281/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 357, "atom1_serNum": 2788, "atom2_serNum": 2821, "donAcc_type": "standard", "distance": 2.748, "atom1_id": "///A/278/O", "atom2_id": "///A/282/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 358, "atom1_serNum": 2799, "atom2_serNum": 2829, "donAcc_type": "standard", "distance": 2.725, "atom1_id": "///A/279/O", "atom2_id": "///A/283/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 359, "atom1_serNum": 2803, "atom2_serNum": 3270, "donAcc_type": "standard", "distance": 3.059, "atom1_id": "///A/279/ND2", "atom2_id": "///A/404/O2", "atom_pair": "N:O", "residue_pair": "aa:ligand" }, { "index": 360, "atom1_serNum": 2807, "atom2_serNum": 2840, "donAcc_type": "standard", "distance": 2.841, "atom1_id": "///A/280/O", "atom2_id": "///A/284/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 361, "atom1_serNum": 2816, "atom2_serNum": 2845, "donAcc_type": "standard", "distance": 2.946, "atom1_id": "///A/281/O", "atom2_id": "///A/285/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 362, "atom1_serNum": 2820, "atom2_serNum": 3259, "donAcc_type": "standard", "distance": 2.987, "atom1_id": "///A/281/ND2", "atom2_id": "///A/335/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 363, "atom1_serNum": 2824, "atom2_serNum": 2855, "donAcc_type": "standard", "distance": 2.880, "atom1_id": "///A/282/O", "atom2_id": "///A/286/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 364, "atom1_serNum": 2832, "atom2_serNum": 2860, "donAcc_type": "standard", "distance": 3.013, "atom1_id": "///A/283/O", "atom2_id": "///A/287/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 365, "atom1_serNum": 2843, "atom2_serNum": 2868, "donAcc_type": "standard", "distance": 3.069, "atom1_id": "///A/284/O", "atom2_id": "///A/288/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 366, "atom1_serNum": 2848, "atom2_serNum": 2877, "donAcc_type": "standard", "distance": 2.943, "atom1_id": "///A/285/O", "atom2_id": "///A/289/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 367, "atom1_serNum": 2854, "atom2_serNum": 3142, "donAcc_type": "standard", "distance": 2.993, "atom1_id": "///A/285/NE2", "atom2_id": "///A/323/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 368, "atom1_serNum": 2858, "atom2_serNum": 2886, "donAcc_type": "standard", "distance": 2.940, "atom1_id": "///A/286/O", "atom2_id": "///A/290/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 369, "atom1_serNum": 2858, "atom2_serNum": 2890, "donAcc_type": "standard", "distance": 2.804, "atom1_id": "///A/286/O", "atom2_id": "///A/291/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 370, "atom1_serNum": 2863, "atom2_serNum": 2886, "donAcc_type": "standard", "distance": 2.950, "atom1_id": "///A/287/O", "atom2_id": "///A/290/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 371, "atom1_serNum": 2889, "atom2_serNum": 2978, "donAcc_type": "standard", "distance": 2.966, "atom1_id": "///A/290/O", "atom2_id": "///A/301/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 372, "atom1_serNum": 2901, "atom2_serNum": 2963, "donAcc_type": "standard", "distance": 2.872, "atom1_id": "///A/292/N", "atom2_id": "///A/299/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 373, "atom1_serNum": 2904, "atom2_serNum": 2960, "donAcc_type": "standard", "distance": 2.944, "atom1_id": "///A/292/O", "atom2_id": "///A/299/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 374, "atom1_serNum": 2916, "atom2_serNum": 2948, "donAcc_type": "standard", "distance": 3.094, "atom1_id": "///A/294/N", "atom2_id": "///A/297/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 375, "atom1_serNum": 2922, "atom2_serNum": 2933, "donAcc_type": "standard", "distance": 2.852, "atom1_id": "///A/294/OD1", "atom2_id": "///A/296/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 376, "atom1_serNum": 2922, "atom2_serNum": 2945, "donAcc_type": "standard", "distance": 2.820, "atom1_id": "///A/294/OD1", "atom2_id": "///A/297/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 377, "atom1_serNum": 2924, "atom2_serNum": 2931, "donAcc_type": "standard", "distance": 2.777, "atom1_id": "///A/295/N", "atom2_id": "///A/295/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 378, "atom1_serNum": 2955, "atom2_serNum": 3038, "donAcc_type": "standard", "distance": 2.956, "atom1_id": "///A/298/O", "atom2_id": "///A/311/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 379, "atom1_serNum": 2974, "atom2_serNum": 3018, "donAcc_type": "standard", "distance": 2.598, "atom1_id": "///A/300/O", "atom2_id": "///A/308/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 380, "atom1_serNum": 2986, "atom2_serNum": 3009, "donAcc_type": "standard", "distance": 3.000, "atom1_id": "///A/302/N", "atom2_id": "///A/306/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 381, "atom1_serNum": 2989, "atom2_serNum": 3002, "donAcc_type": "standard", "distance": 2.895, "atom1_id": "///A/302/O", "atom2_id": "///A/305/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 382, "atom1_serNum": 3009, "atom2_serNum": 3018, "donAcc_type": "standard", "distance": 3.277, "atom1_id": "///A/306/O", "atom2_id": "///A/308/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 383, "atom1_serNum": 3049, "atom2_serNum": 3138, "donAcc_type": "acceptable", "distance": 2.727, "atom1_id": "///A/312/O", "atom2_id": "///A/322/OH", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 384, "atom1_serNum": 3060, "atom2_serNum": 3099, "donAcc_type": "standard", "distance": 2.834, "atom1_id": "///A/314/N", "atom2_id": "///A/318/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 385, "atom1_serNum": 3071, "atom2_serNum": 3100, "donAcc_type": "standard", "distance": 3.766, "atom1_id": "///A/315/O", "atom2_id": "///A/319/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 386, "atom1_serNum": 3073, "atom2_serNum": 3092, "donAcc_type": "acceptable", "distance": 2.917, "atom1_id": "///A/315/OG", "atom2_id": "///A/318/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 387, "atom1_serNum": 3077, "atom2_serNum": 3100, "donAcc_type": "standard", "distance": 3.078, "atom1_id": "///A/316/O", "atom2_id": "///A/319/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 388, "atom1_serNum": 3077, "atom2_serNum": 3108, "donAcc_type": "standard", "distance": 3.434, "atom1_id": "///A/316/O", "atom2_id": "///A/320/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 389, "atom1_serNum": 3081, "atom2_serNum": 3244, "donAcc_type": "standard", "distance": 2.660, "atom1_id": "///A/316/OE1", "atom2_id": "///A/333/NH1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 390, "atom1_serNum": 3081, "atom2_serNum": 3245, "donAcc_type": "standard", "distance": 3.095, "atom1_id": "///A/316/OE1", "atom2_id": "///A/333/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 391, "atom1_serNum": 3086, "atom2_serNum": 3119, "donAcc_type": "standard", "distance": 2.761, "atom1_id": "///A/317/O", "atom2_id": "///A/321/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 392, "atom1_serNum": 3091, "atom2_serNum": 3126, "donAcc_type": "standard", "distance": 3.215, "atom1_id": "///A/317/NZ", "atom2_id": "///A/321/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 393, "atom1_serNum": 3095, "atom2_serNum": 3127, "donAcc_type": "standard", "distance": 3.077, "atom1_id": "///A/318/O", "atom2_id": "///A/322/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 394, "atom1_serNum": 3103, "atom2_serNum": 3139, "donAcc_type": "standard", "distance": 3.599, "atom1_id": "///A/319/O", "atom2_id": "///A/323/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 395, "atom1_serNum": 3111, "atom2_serNum": 3147, "donAcc_type": "standard", "distance": 3.067, "atom1_id": "///A/320/O", "atom2_id": "///A/324/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 396, "atom1_serNum": 3111, "atom2_serNum": 3156, "donAcc_type": "standard", "distance": 3.115, "atom1_id": "///A/320/O", "atom2_id": "///A/325/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 397, "atom1_serNum": 3122, "atom2_serNum": 3147, "donAcc_type": "standard", "distance": 3.002, "atom1_id": "///A/321/O", "atom2_id": "///A/324/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 398, "atom1_serNum": 3190, "atom2_serNum": 3245, "donAcc_type": "acceptable", "distance": 2.883, "atom1_id": "///A/327/OH", "atom2_id": "///A/333/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 399, "atom1_serNum": 3194, "atom2_serNum": 3242, "donAcc_type": "standard", "distance": 2.803, "atom1_id": "///A/328/O", "atom2_id": "///A/333/NE", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 400, "atom1_serNum": 3194, "atom2_serNum": 3245, "donAcc_type": "standard", "distance": 2.889, "atom1_id": "///A/328/O", "atom2_id": "///A/333/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 401, "atom1_serNum": 3201, "atom2_serNum": 3230, "donAcc_type": "standard", "distance": 2.878, "atom1_id": "///A/328/NH2", "atom2_id": "///A/332/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 402, "atom1_serNum": 3201, "atom2_serNum": 3260, "donAcc_type": "standard", "distance": 2.337, "atom1_id": "///A/328/NH2", "atom2_id": "///A/335/OE2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 403, "atom1_serNum": 3205, "atom2_serNum": 3227, "donAcc_type": "standard", "distance": 2.930, "atom1_id": "///A/329/O", "atom2_id": "///A/332/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 404, "atom1_serNum": 3214, "atom2_serNum": 3235, "donAcc_type": "standard", "distance": 2.890, "atom1_id": "///A/330/O", "atom2_id": "///A/333/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 405, "atom1_serNum": 3226, "atom2_serNum": 3234, "donAcc_type": "standard", "distance": 3.267, "atom1_id": "///A/331/NZ", "atom2_id": "///A/332/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 406, "atom1_serNum": 3238, "atom2_serNum": 3252, "donAcc_type": "standard", "distance": 2.909, "atom1_id": "///A/333/O", "atom2_id": "///A/335/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 407, "atom1_serNum": 3282, "atom2_serNum": 3290, "donAcc_type": "acceptable", "distance": 2.789, "atom1_id": "///A/404/O2B", "atom2_id": "///A/404/O3'", "atom_pair": "O:O", "residue_pair": "ligand:ligand" } ], "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": "6cti", "num_aaChains": 1, "aaChains": "A=327", "num_naChains": 3, "naChains": "D=5,P=10,T=16", "num_atoms": 3601, "num_waters": 326, "num_metals": 4, "metals_desc": "Na=3,Mg=1", "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-2ndstrs.bpseq", "desc": "secondary structure in bpseq format" }, { "index": 5, "name": "dssr-2ndstrs.ct", "desc": "secondary structure in connectivity table format" }, { "index": 6, "name": "dssr-2ndstrs.dbn", "desc": "secondary structure in dot-bracket notation" }, { "index": 7, "name": "dssr-torsions.txt", "desc": "backbone torsion angles and suite names" }, { "index": 8, "name": "dssr-splays.pdb", "desc": "an ensemble of splayed-apart units" }, { "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" } }