{ "num_pairs": 29, "pairs": [ { "index": 1, "nt1": "///G/840", "nt2": "///F/900", "bp": "A-t", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -94.525, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 56.070, "chi2": -145.575, "conf2": "anti", "pucker2": "~C3'-endo", "lambda2": 55.645, "C1C1_dist": 10.530, "N1N9_dist": 8.901, "C6C8_dist": 9.924, "CNNC_torsion": -8.110, "hbonds_num": 2, "hbonds_desc": "N6(amino)-O4(carbonyl)[3.05],N1-N3(imino)[2.90]", "interBase_angle": 9.396, "planarity": 0.114, "simple_Shear": 0.173, "simple_Stretch": -0.020, "simple_Buckle": 6.069, "simple_Propeller": -7.173, "bp_simpleParams": [ 0.173, -0.020, 0.021, 6.069, -7.173, 1.682 ], "bp_params": [ 0.173, -0.024, 0.021, 5.902, -7.311, 1.683 ], "frame": { "rmsd": null, "origin": [ -14.655, -7.634, -63.161 ], "x_axis": [ 0.330, 0.070, 0.942 ], "y_axis": [ -0.944, 0.053, 0.326 ], "z_axis": [ -0.027, -0.996, 0.084 ], "quaternion": [ 0.606, 0.546, -0.400, 0.419 ] } }, { "index": 2, "nt1": "///G/841", "nt2": "///H/873", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -91.116, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 55.859, "chi2": -123.572, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 55.554, "C1C1_dist": 10.433, "N1N9_dist": 8.780, "C6C8_dist": 9.742, "CNNC_torsion": -10.334, "hbonds_num": 3, "hbonds_desc": "O6(carbonyl)-N4(amino)[2.80],N1(imino)-N3[2.77],N2(amino)-O2(carbonyl)[2.65]", "interBase_angle": 16.447, "planarity": 0.223, "simple_Shear": -0.044, "simple_Stretch": -0.207, "simple_Buckle": 15.065, "simple_Propeller": -6.601, "bp_simpleParams": [ -0.044, -0.207, 0.297, 15.065, -6.601, 0.834 ], "bp_params": [ -0.043, -0.207, 0.297, 15.104, -6.511, 0.828 ], "frame": { "rmsd": null, "origin": [ -14.937, -10.716, -62.496 ], "x_axis": [ -0.138, 0.215, 0.967 ], "y_axis": [ -0.989, 0.022, -0.146 ], "z_axis": [ -0.052, -0.976, 0.209 ], "quaternion": [ 0.523, 0.397, -0.487, 0.576 ] } }, { "index": 3, "nt1": "///G/842", "nt2": "///H/872", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -151.117, "conf1": "anti", "pucker1": "~C3'-endo", "lambda1": 55.925, "chi2": -117.276, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 53.667, "C1C1_dist": 10.525, "N1N9_dist": 8.780, "C6C8_dist": 9.723, "CNNC_torsion": -13.206, "hbonds_num": 3, "hbonds_desc": "O6(carbonyl)-N4(amino)[2.80],N1(imino)-N3[2.73],N2(amino)-O2(carbonyl)[2.76]", "interBase_angle": 22.328, "planarity": 0.250, "simple_Shear": -0.323, "simple_Stretch": -0.271, "simple_Buckle": -11.958, "simple_Propeller": -18.856, "bp_simpleParams": [ -0.323, -0.271, -0.231, -11.958, -18.856, 1.262 ], "bp_params": [ -0.318, -0.278, -0.231, -11.524, -19.125, 1.274 ], "frame": { "rmsd": null, "origin": [ -14.774, -14.414, -61.024 ], "x_axis": [ -0.677, 0.335, 0.655 ], "y_axis": [ -0.730, -0.192, -0.656 ], "z_axis": [ -0.094, -0.922, 0.375 ], "quaternion": [ 0.356, 0.188, -0.527, 0.749 ] } }, { "index": 4, "nt1": "///G/843", "nt2": "///H/871", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -174.286, "conf1": "anti", "pucker1": "~C3'-endo", "lambda1": 55.773, "chi2": -134.803, "conf2": "anti", "pucker2": "----", "lambda2": 54.336, "C1C1_dist": 10.531, "N1N9_dist": 8.838, "C6C8_dist": 9.811, "CNNC_torsion": -9.492, "hbonds_num": 3, "hbonds_desc": "O6(carbonyl)-N4(amino)[2.98],N1(imino)-N3[2.87],N2(amino)-O2(carbonyl)[2.73]", "interBase_angle": 20.270, "planarity": 0.237, "simple_Shear": -0.250, "simple_Stretch": -0.130, "simple_Buckle": -14.253, "simple_Propeller": -14.412, "bp_simpleParams": [ -0.250, -0.130, 0.057, -14.253, -14.412, 1.262 ], "bp_params": [ -0.249, -0.134, 0.057, -14.050, -14.610, 1.263 ], "frame": { "rmsd": null, "origin": [ -15.402, -16.673, -58.020 ], "x_axis": [ -0.908, 0.340, 0.246 ], "y_axis": [ -0.371, -0.377, -0.849 ], "z_axis": [ -0.196, -0.862, 0.468 ], "quaternion": [ 0.214, 0.015, -0.515, 0.830 ] } }, { "index": 5, "nt1": "///G/844", "nt2": "///H/870", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -128.724, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 51.513, "chi2": -118.250, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 52.146, "C1C1_dist": 10.778, "N1N9_dist": 8.962, "C6C8_dist": 9.842, "CNNC_torsion": -0.742, "hbonds_num": 2, "hbonds_desc": "N3(imino)-N1[2.89],O4(carbonyl)-N6(amino)[2.87]", "interBase_angle": 9.508, "planarity": 0.115, "simple_Shear": -0.120, "simple_Stretch": -0.096, "simple_Buckle": -6.934, "simple_Propeller": -6.506, "bp_simpleParams": [ -0.120, -0.096, -0.022, -6.934, -6.506, -3.353 ], "bp_params": [ -0.119, -0.097, -0.022, -6.836, -6.609, -3.352 ], "frame": { "rmsd": null, "origin": [ -15.040, -18.904, -55.473 ], "x_axis": [ -0.956, 0.117, -0.271 ], "y_axis": [ 0.162, -0.558, -0.814 ], "z_axis": [ -0.246, -0.821, 0.515 ], "quaternion": [ -0.013, -0.148, -0.470, 0.870 ] } }, { "index": 6, "nt1": "///G/845", "nt2": "///H/869", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -123.983, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 50.483, "chi2": -113.328, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 52.245, "C1C1_dist": 10.783, "N1N9_dist": 8.921, "C6C8_dist": 9.791, "CNNC_torsion": 4.359, "hbonds_num": 3, "hbonds_desc": "O2(carbonyl)-N2(amino)[2.76],N3-N1(imino)[2.81],N4(amino)-O6(carbonyl)[2.75]", "interBase_angle": 3.445, "planarity": 0.104, "simple_Shear": 0.066, "simple_Stretch": -0.241, "simple_Buckle": -2.005, "simple_Propeller": -2.802, "bp_simpleParams": [ 0.066, -0.241, -0.330, -2.005, -2.802, -2.273 ], "bp_params": [ 0.065, -0.241, -0.330, -2.010, -2.798, -2.274 ], "frame": { "rmsd": null, "origin": [ -16.529, -21.295, -53.802 ], "x_axis": [ -0.692, -0.201, -0.693 ], "y_axis": [ 0.652, -0.586, -0.481 ], "z_axis": [ -0.309, -0.785, 0.537 ], "quaternion": [ -0.254, -0.299, -0.377, 0.839 ] } }, { "index": 7, "nt1": "///G/846", "nt2": "///H/868", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -127.700, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 52.402, "chi2": -117.133, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 54.406, "C1C1_dist": 10.664, "N1N9_dist": 8.895, "C6C8_dist": 9.807, "CNNC_torsion": -5.545, "hbonds_num": 3, "hbonds_desc": "O2(carbonyl)-N2(amino)[2.70],N3-N1(imino)[2.81],N4(amino)-O6(carbonyl)[2.75]", "interBase_angle": 2.762, "planarity": 0.041, "simple_Shear": 0.068, "simple_Stretch": -0.220, "simple_Buckle": -2.330, "simple_Propeller": -1.484, "bp_simpleParams": [ 0.068, -0.220, 0.028, -2.330, -1.484, -0.931 ], "bp_params": [ 0.068, -0.220, 0.028, -2.333, -1.479, -0.931 ], "frame": { "rmsd": null, "origin": [ -18.222, -23.758, -52.022 ], "x_axis": [ -0.191, -0.418, -0.888 ], "y_axis": [ 0.923, -0.385, -0.017 ], "z_axis": [ -0.335, -0.823, 0.459 ], "quaternion": [ -0.470, -0.429, -0.294, 0.713 ] } }, { "index": 8, "nt1": "///G/847", "nt2": "///H/867", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -120.146, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 55.759, "chi2": -101.318, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 57.818, "C1C1_dist": 10.334, "N1N9_dist": 8.730, "C6C8_dist": 9.837, "CNNC_torsion": -7.616, "hbonds_num": 2, "hbonds_desc": "N3(imino)-N1[2.77],O4(carbonyl)-N6(amino)[3.20]", "interBase_angle": 5.527, "planarity": 0.079, "simple_Shear": -0.153, "simple_Stretch": -0.097, "simple_Buckle": 1.858, "simple_Propeller": -5.205, "bp_simpleParams": [ -0.153, -0.097, -0.095, 1.858, -5.205, 6.913 ], "bp_params": [ -0.151, -0.100, -0.095, 1.965, -5.166, 6.919 ], "frame": { "rmsd": null, "origin": [ -19.904, -26.356, -50.760 ], "x_axis": [ 0.270, -0.523, -0.809 ], "y_axis": [ 0.888, -0.189, 0.418 ], "z_axis": [ -0.372, -0.831, 0.414 ], "quaternion": [ 0.611, 0.511, 0.179, -0.577 ] } }, { "index": 9, "nt1": "///G/848", "nt2": "///H/866", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -94.778, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 57.141, "chi2": -131.537, "conf2": "anti", "pucker2": "----", "lambda2": 54.847, "C1C1_dist": 10.355, "N1N9_dist": 8.713, "C6C8_dist": 9.734, "CNNC_torsion": -2.920, "hbonds_num": 2, "hbonds_desc": "N6(amino)-O4(carbonyl)[3.03],N1-N3(imino)[2.76]", "interBase_angle": 15.270, "planarity": 0.190, "simple_Shear": 0.226, "simple_Stretch": -0.132, "simple_Buckle": 15.116, "simple_Propeller": -2.163, "bp_simpleParams": [ 0.226, -0.132, 0.103, 15.116, -2.163, 3.297 ], "bp_params": [ 0.222, -0.138, 0.103, 15.056, -2.549, 3.269 ], "frame": { "rmsd": null, "origin": [ -20.595, -29.281, -49.696 ], "x_axis": [ 0.755, -0.410, -0.511 ], "y_axis": [ 0.597, 0.109, 0.795 ], "z_axis": [ -0.270, -0.905, 0.327 ], "quaternion": [ 0.740, 0.574, 0.081, -0.340 ] } }, { "index": 10, "nt1": "///G/849", "nt2": "///H/865", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -105.010, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 53.452, "chi2": -115.983, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 55.229, "C1C1_dist": 10.507, "N1N9_dist": 8.792, "C6C8_dist": 9.759, "CNNC_torsion": -6.160, "hbonds_num": 3, "hbonds_desc": "O6(carbonyl)-N4(amino)[2.83],N1(imino)-N3[2.76],N2(amino)-O2(carbonyl)[2.61]", "interBase_angle": 9.594, "planarity": 0.142, "simple_Shear": -0.265, "simple_Stretch": -0.244, "simple_Buckle": 7.617, "simple_Propeller": -5.833, "bp_simpleParams": [ -0.265, -0.244, 0.021, 7.617, -5.833, 1.739 ], "bp_params": [ -0.259, -0.250, 0.021, 7.751, -5.653, 1.737 ], "frame": { "rmsd": null, "origin": [ -21.945, -32.348, -48.081 ], "x_axis": [ 0.991, -0.092, -0.093 ], "y_axis": [ 0.116, 0.288, 0.951 ], "z_axis": [ -0.061, -0.953, 0.296 ], "quaternion": [ 0.803, 0.593, 0.010, -0.065 ] } }, { "index": 11, "nt1": "///G/850", "nt2": "///H/864", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -111.544, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 52.778, "chi2": -105.926, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 52.849, "C1C1_dist": 10.702, "N1N9_dist": 8.918, "C6C8_dist": 9.820, "CNNC_torsion": -8.347, "hbonds_num": 3, "hbonds_desc": "O6(carbonyl)-N4(amino)[2.81],N1(imino)-N3[2.87],N2(amino)-O2(carbonyl)[2.92]", "interBase_angle": 12.671, "planarity": 0.212, "simple_Shear": -0.212, "simple_Stretch": -0.207, "simple_Buckle": 3.743, "simple_Propeller": -12.105, "bp_simpleParams": [ -0.212, -0.207, -0.356, 3.743, -12.105, -0.607 ], "bp_params": [ -0.209, -0.211, -0.356, 3.953, -12.038, -0.610 ], "frame": { "rmsd": null, "origin": [ -22.109, -35.641, -47.154 ], "x_axis": [ 0.886, 0.186, 0.424 ], "y_axis": [ -0.458, 0.214, 0.863 ], "z_axis": [ 0.070, -0.959, 0.274 ], "quaternion": [ 0.770, 0.591, -0.115, 0.209 ] } }, { "index": 12, "nt1": "///G/851", "nt2": "///H/863", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -104.894, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 57.770, "chi2": -97.823, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 57.481, "C1C1_dist": 10.248, "N1N9_dist": 8.672, "C6C8_dist": 9.775, "CNNC_torsion": -13.121, "hbonds_num": 2, "hbonds_desc": "N6(amino)-O4(carbonyl)[3.15],N1-N3(imino)[2.76]", "interBase_angle": 22.491, "planarity": 0.301, "simple_Shear": -0.043, "simple_Stretch": -0.150, "simple_Buckle": -9.443, "simple_Propeller": -20.413, "bp_simpleParams": [ -0.043, -0.150, -0.453, -9.443, -20.413, 7.841 ], "bp_params": [ -0.045, -0.150, -0.453, -9.554, -20.361, 7.939 ], "frame": { "rmsd": null, "origin": [ -21.697, -38.874, -45.867 ], "x_axis": [ 0.347, 0.403, 0.847 ], "y_axis": [ -0.927, 0.010, 0.375 ], "z_axis": [ 0.142, -0.915, 0.377 ], "quaternion": [ 0.658, 0.490, -0.268, 0.505 ] } }, { "index": 13, "nt1": "///G/852", "nt2": "///H/862", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -104.950, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 59.598, "chi2": -122.853, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 55.318, "C1C1_dist": 10.474, "N1N9_dist": 8.879, "C6C8_dist": 9.949, "CNNC_torsion": -4.655, "hbonds_num": 3, "hbonds_desc": "O2(carbonyl)-N2(amino)[2.76],N3-N1(imino)[2.98],N4(amino)-O6(carbonyl)[3.17]", "interBase_angle": 12.298, "planarity": 0.208, "simple_Shear": 0.459, "simple_Stretch": -0.056, "simple_Buckle": -1.365, "simple_Propeller": -12.222, "bp_simpleParams": [ 0.459, -0.056, -0.420, -1.365, -12.222, 7.032 ], "bp_params": [ 0.456, -0.075, -0.420, -1.867, -12.156, 7.071 ], "frame": { "rmsd": null, "origin": [ -21.137, -41.676, -44.578 ], "x_axis": [ -0.179, 0.387, 0.904 ], "y_axis": [ -0.978, -0.166, -0.123 ], "z_axis": [ 0.103, -0.907, 0.409 ], "quaternion": [ 0.516, 0.380, -0.389, 0.662 ] } }, { "index": 14, "nt1": "///G/853", "nt2": "///H/861", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -111.984, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 54.705, "chi2": -109.704, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 55.494, "C1C1_dist": 10.411, "N1N9_dist": 8.729, "C6C8_dist": 9.741, "CNNC_torsion": -4.866, "hbonds_num": 3, "hbonds_desc": "O2(carbonyl)-N2(amino)[2.50],N3-N1(imino)[2.71],N4(amino)-O6(carbonyl)[2.86]", "interBase_angle": 10.565, "planarity": 0.158, "simple_Shear": 0.070, "simple_Stretch": -0.266, "simple_Buckle": -5.264, "simple_Propeller": -9.160, "bp_simpleParams": [ 0.070, -0.266, -0.071, -5.264, -9.160, 3.753 ], "bp_params": [ 0.069, -0.267, -0.071, -5.296, -9.142, 3.761 ], "frame": { "rmsd": null, "origin": [ -20.652, -44.261, -42.347 ], "x_axis": [ -0.685, 0.416, 0.598 ], "y_axis": [ -0.728, -0.371, -0.576 ], "z_axis": [ -0.018, -0.830, 0.557 ], "quaternion": [ 0.354, 0.179, -0.435, 0.808 ] } }, { "index": 15, "nt1": "///B/840", "nt2": "///A/900", "bp": "A-t", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -95.421, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 54.442, "chi2": -147.407, "conf2": "anti", "pucker2": "~C3'-endo", "lambda2": 54.445, "C1C1_dist": 10.658, "N1N9_dist": 8.974, "C6C8_dist": 9.962, "CNNC_torsion": -8.348, "hbonds_num": 2, "hbonds_desc": "N6(amino)-O4(carbonyl)[3.04],N1-N3(imino)[2.94]", "interBase_angle": 10.216, "planarity": 0.122, "simple_Shear": 0.087, "simple_Stretch": 0.007, "simple_Buckle": 5.024, "simple_Propeller": -8.896, "bp_simpleParams": [ 0.087, 0.007, 0.163, 5.024, -8.896, 0.889 ], "bp_params": [ 0.087, 0.006, 0.163, 4.880, -8.976, 0.891 ], "frame": { "rmsd": null, "origin": [ -30.888, -2.616, -17.665 ], "x_axis": [ -0.987, 0.097, 0.126 ], "y_axis": [ -0.124, 0.020, -0.992 ], "z_axis": [ -0.099, -0.995, -0.007 ], "quaternion": [ -0.079, -0.010, 0.710, -0.700 ] } }, { "index": 16, "nt1": "///B/841", "nt2": "///C/873", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -100.098, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 56.212, "chi2": -119.686, "conf2": "anti", "pucker2": "----", "lambda2": 55.663, "C1C1_dist": 10.448, "N1N9_dist": 8.814, "C6C8_dist": 9.814, "CNNC_torsion": -11.977, "hbonds_num": 3, "hbonds_desc": "O6(carbonyl)-N4(amino)[2.90],N1(imino)-N3[2.80],N2(amino)-O2(carbonyl)[2.68]", "interBase_angle": 14.467, "planarity": 0.196, "simple_Shear": -0.072, "simple_Stretch": -0.187, "simple_Buckle": 8.943, "simple_Propeller": -11.371, "bp_simpleParams": [ -0.072, -0.187, 0.306, 8.943, -11.371, 1.686 ], "bp_params": [ -0.070, -0.188, 0.306, 9.011, -11.317, 1.689 ], "frame": { "rmsd": null, "origin": [ -31.849, -5.751, -17.929 ], "x_axis": [ -0.900, 0.276, -0.338 ], "y_axis": [ 0.343, -0.033, -0.939 ], "z_axis": [ -0.270, -0.961, -0.065 ], "quaternion": [ 0.024, 0.223, 0.695, -0.683 ] } }, { "index": 17, "nt1": "///B/842", "nt2": "///C/872", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -167.861, "conf1": "anti", "pucker1": "~C3'-endo", "lambda1": 52.018, "chi2": -122.060, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 51.722, "C1C1_dist": 10.659, "N1N9_dist": 8.845, "C6C8_dist": 9.731, "CNNC_torsion": -19.520, "hbonds_num": 3, "hbonds_desc": "O6(carbonyl)-N4(amino)[2.79],N1(imino)-N3[2.76],N2(amino)-O2(carbonyl)[2.76]", "interBase_angle": 18.162, "planarity": 0.232, "simple_Shear": -0.141, "simple_Stretch": -0.284, "simple_Buckle": -5.241, "simple_Propeller": -17.389, "bp_simpleParams": [ -0.141, -0.284, 0.227, -5.241, -17.389, -2.079 ], "bp_params": [ -0.139, -0.285, 0.227, -5.098, -17.432, -2.101 ], "frame": { "rmsd": null, "origin": [ -33.660, -8.953, -17.696 ], "x_axis": [ -0.587, 0.324, -0.742 ], "y_axis": [ 0.732, -0.178, -0.657 ], "z_axis": [ -0.345, -0.929, -0.133 ], "quaternion": [ -0.160, -0.426, -0.621, 0.639 ] } }, { "index": 18, "nt1": "///B/843", "nt2": "///C/871", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -171.563, "conf1": "anti", "pucker1": "~C3'-endo", "lambda1": 54.527, "chi2": -131.915, "conf2": "anti", "pucker2": "----", "lambda2": 53.946, "C1C1_dist": 10.505, "N1N9_dist": 8.770, "C6C8_dist": 9.707, "CNNC_torsion": -12.221, "hbonds_num": 3, "hbonds_desc": "O6(carbonyl)-N4(amino)[2.81],N1(imino)-N3[2.76],N2(amino)-O2(carbonyl)[2.68]", "interBase_angle": 21.940, "planarity": 0.255, "simple_Shear": -0.296, "simple_Stretch": -0.249, "simple_Buckle": -15.031, "simple_Propeller": -15.983, "bp_simpleParams": [ -0.296, -0.249, 0.002, -15.031, -15.983, 0.132 ], "bp_params": [ -0.291, -0.254, 0.002, -14.750, -16.242, 0.132 ], "frame": { "rmsd": null, "origin": [ -36.370, -11.495, -18.637 ], "x_axis": [ -0.075, 0.320, -0.944 ], "y_axis": [ 0.881, -0.423, -0.214 ], "z_axis": [ -0.468, -0.848, -0.250 ], "quaternion": [ 0.251, 0.632, 0.475, -0.559 ] } }, { "index": 19, "nt1": "///B/844", "nt2": "///C/870", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -148.895, "conf1": "anti", "pucker1": "~C3'-endo", "lambda1": 55.639, "chi2": -112.964, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 54.514, "C1C1_dist": 10.429, "N1N9_dist": 8.734, "C6C8_dist": 9.730, "CNNC_torsion": -14.266, "hbonds_num": 2, "hbonds_desc": "N3(imino)-N1[2.74],O4(carbonyl)-N6(amino)[2.95]", "interBase_angle": 16.611, "planarity": 0.200, "simple_Shear": -0.080, "simple_Stretch": -0.176, "simple_Buckle": -12.575, "simple_Propeller": -10.853, "bp_simpleParams": [ -0.080, -0.176, 0.229, -12.575, -10.853, 1.398 ], "bp_params": [ -0.078, -0.177, 0.229, -12.496, -10.943, 1.396 ], "frame": { "rmsd": null, "origin": [ -38.975, -13.755, -18.905 ], "x_axis": [ 0.423, 0.045, -0.905 ], "y_axis": [ 0.768, -0.549, 0.331 ], "z_axis": [ -0.482, -0.835, -0.266 ], "quaternion": [ 0.390, 0.748, 0.272, -0.464 ] } }, { "index": 20, "nt1": "///B/845", "nt2": "///C/869", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -132.627, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 55.094, "chi2": -113.593, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 51.432, "C1C1_dist": 10.750, "N1N9_dist": 8.974, "C6C8_dist": 9.906, "CNNC_torsion": -4.877, "hbonds_num": 3, "hbonds_desc": "O2(carbonyl)-N2(amino)[2.78],N3-N1(imino)[2.93],N4(amino)-O6(carbonyl)[2.99]", "interBase_angle": 7.325, "planarity": 0.098, "simple_Shear": 0.454, "simple_Stretch": -0.109, "simple_Buckle": -4.059, "simple_Propeller": -6.098, "bp_simpleParams": [ 0.454, -0.109, 0.096, -4.059, -6.098, 0.770 ], "bp_params": [ 0.449, -0.127, 0.096, -4.306, -5.927, 0.771 ], "frame": { "rmsd": null, "origin": [ -40.659, -16.052, -20.385 ], "x_axis": [ 0.792, -0.189, -0.580 ], "y_axis": [ 0.404, -0.551, 0.731 ], "z_axis": [ -0.457, -0.813, -0.360 ], "quaternion": [ 0.469, 0.822, 0.065, -0.315 ] } }, { "index": 21, "nt1": "///B/846", "nt2": "///C/868", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -126.619, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 52.150, "chi2": -114.767, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 54.003, "C1C1_dist": 10.710, "N1N9_dist": 8.936, "C6C8_dist": 9.840, "CNNC_torsion": 1.494, "hbonds_num": 3, "hbonds_desc": "O2(carbonyl)-N2(amino)[2.78],N3-N1(imino)[2.85],N4(amino)-O6(carbonyl)[2.80]", "interBase_angle": 5.186, "planarity": 0.090, "simple_Shear": 0.078, "simple_Stretch": -0.176, "simple_Buckle": -5.027, "simple_Propeller": -1.271, "bp_simpleParams": [ 0.078, -0.176, -0.078, -5.027, -1.271, -1.344 ], "bp_params": [ 0.077, -0.176, -0.078, -5.032, -1.250, -1.343 ], "frame": { "rmsd": null, "origin": [ -41.714, -18.559, -22.351 ], "x_axis": [ 0.899, -0.439, -0.004 ], "y_axis": [ -0.178, -0.374, 0.910 ], "z_axis": [ -0.401, -0.817, -0.415 ], "quaternion": [ 0.527, 0.820, -0.188, -0.124 ] } }, { "index": 22, "nt1": "///B/847", "nt2": "///C/867", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -100.393, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 55.603, "chi2": -107.531, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 55.595, "C1C1_dist": 10.609, "N1N9_dist": 8.941, "C6C8_dist": 9.969, "CNNC_torsion": 0.667, "hbonds_num": 2, "hbonds_desc": "N3(imino)-N1[2.92],O4(carbonyl)-N6(amino)[3.15]", "interBase_angle": 5.514, "planarity": 0.067, "simple_Shear": 0.014, "simple_Stretch": 0.007, "simple_Buckle": 5.514, "simple_Propeller": 0.030, "bp_simpleParams": [ 0.014, 0.007, -0.065, 5.514, 0.030, 2.790 ], "bp_params": [ 0.014, 0.007, -0.065, 5.514, 0.052, 2.787 ], "frame": { "rmsd": null, "origin": [ -42.908, -20.879, -24.250 ], "x_axis": [ 0.723, -0.538, 0.435 ], "y_axis": [ -0.587, -0.144, 0.797 ], "z_axis": [ -0.366, -0.831, -0.419 ], "quaternion": [ 0.538, 0.756, -0.372, 0.023 ] } }, { "index": 23, "nt1": "///B/848", "nt2": "///C/866", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -104.660, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 55.500, "chi2": -102.672, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 60.266, "C1C1_dist": 10.370, "N1N9_dist": 8.797, "C6C8_dist": 9.914, "CNNC_torsion": -11.056, "hbonds_num": 2, "hbonds_desc": "N6(amino)-O4(carbonyl)[3.36],N1-N3(imino)[2.92]", "interBase_angle": 12.966, "planarity": 0.158, "simple_Shear": -0.425, "simple_Stretch": 0.005, "simple_Buckle": 7.484, "simple_Propeller": -10.588, "bp_simpleParams": [ -0.425, 0.005, 0.121, 7.484, -10.588, 7.727 ], "bp_params": [ -0.425, -0.012, 0.121, 7.900, -10.281, 7.740 ], "frame": { "rmsd": null, "origin": [ -44.132, -23.868, -25.041 ], "x_axis": [ 0.301, -0.479, 0.825 ], "y_axis": [ -0.889, 0.171, 0.424 ], "z_axis": [ -0.344, -0.861, -0.374 ], "quaternion": [ 0.524, 0.613, -0.558, 0.196 ] } }, { "index": 24, "nt1": "///B/849", "nt2": "///C/865", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -79.558, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 54.445, "chi2": -122.372, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 61.829, "C1C1_dist": 10.344, "N1N9_dist": 8.784, "C6C8_dist": 9.881, "CNNC_torsion": -6.356, "hbonds_num": 3, "hbonds_desc": "O6(carbonyl)-N4(amino)[3.29],N1(imino)-N3[2.97],N2(amino)-O2(carbonyl)[2.57]", "interBase_angle": 13.564, "planarity": 0.169, "simple_Shear": -0.885, "simple_Stretch": -0.038, "simple_Buckle": 12.200, "simple_Propeller": -5.927, "bp_simpleParams": [ -0.885, -0.038, 0.383, 12.200, -5.927, 7.755 ], "bp_params": [ -0.879, -0.114, 0.383, 12.672, -4.838, 7.714 ], "frame": { "rmsd": null, "origin": [ -45.343, -26.454, -26.293 ], "x_axis": [ -0.098, -0.185, 0.978 ], "y_axis": [ -0.919, 0.393, -0.018 ], "z_axis": [ -0.381, -0.901, -0.209 ], "quaternion": [ 0.521, 0.424, -0.652, 0.352 ] } }, { "index": 25, "nt1": "///B/850", "nt2": "///C/864", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -99.723, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 59.127, "chi2": -111.340, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 54.160, "C1C1_dist": 10.701, "N1N9_dist": 9.067, "C6C8_dist": 10.113, "CNNC_torsion": -14.251, "hbonds_num": 3, "hbonds_desc": "O6(carbonyl)-N4(amino)[3.30],N1(imino)-N3[3.05],N2(amino)-O2(carbonyl)[2.80]", "interBase_angle": 19.446, "planarity": 0.268, "simple_Shear": 0.289, "simple_Stretch": 0.165, "simple_Buckle": 15.059, "simple_Propeller": -12.303, "bp_simpleParams": [ 0.289, 0.165, 0.323, 15.059, -12.303, 5.297 ], "bp_params": [ 0.293, 0.157, 0.323, 14.734, -12.691, 5.286 ], "frame": { "rmsd": null, "origin": [ -46.612, -29.215, -26.885 ], "x_axis": [ -0.624, 0.124, 0.771 ], "y_axis": [ -0.684, 0.389, -0.617 ], "z_axis": [ -0.377, -0.913, -0.158 ], "quaternion": [ -0.389, -0.190, 0.737, -0.519 ] } }, { "index": 26, "nt1": "///B/851", "nt2": "///C/863", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -111.970, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 54.144, "chi2": -111.798, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 54.544, "C1C1_dist": 10.470, "N1N9_dist": 8.750, "C6C8_dist": 9.756, "CNNC_torsion": -19.562, "hbonds_num": 2, "hbonds_desc": "N6(amino)-O4(carbonyl)[3.02],N1-N3(imino)[2.75]", "interBase_angle": 22.368, "planarity": 0.287, "simple_Shear": -0.062, "simple_Stretch": -0.207, "simple_Buckle": 1.185, "simple_Propeller": -22.336, "bp_simpleParams": [ -0.062, -0.207, -0.095, 1.185, -22.336, 2.803 ], "bp_params": [ -0.061, -0.207, -0.095, 1.222, -22.334, 2.857 ], "frame": { "rmsd": null, "origin": [ -47.382, -32.567, -27.681 ], "x_axis": [ -0.911, 0.355, 0.213 ], "y_axis": [ -0.158, 0.176, -0.972 ], "z_axis": [ -0.382, -0.918, -0.104 ], "quaternion": [ -0.201, 0.066, 0.740, -0.639 ] } }, { "index": 27, "nt1": "///B/852", "nt2": "///C/862", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -112.515, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 58.307, "chi2": -116.853, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 50.374, "C1C1_dist": 10.666, "N1N9_dist": 8.964, "C6C8_dist": 9.922, "CNNC_torsion": -20.547, "hbonds_num": 3, "hbonds_desc": "O2(carbonyl)-N2(amino)[3.03],N3-N1(imino)[3.06],N4(amino)-O6(carbonyl)[3.21]", "interBase_angle": 20.511, "planarity": 0.267, "simple_Shear": 0.856, "simple_Stretch": -0.071, "simple_Buckle": -0.324, "simple_Propeller": -20.508, "bp_simpleParams": [ 0.856, -0.071, 0.290, -0.324, -20.508, 0.864 ], "bp_params": [ 0.848, -0.141, 0.290, -2.011, -20.412, 0.878 ], "frame": { "rmsd": null, "origin": [ -48.904, -35.495, -27.668 ], "x_axis": [ -0.798, 0.423, -0.428 ], "y_axis": [ 0.458, -0.035, -0.888 ], "z_axis": [ -0.391, -0.905, -0.166 ], "quaternion": [ 0.013, 0.317, 0.695, -0.646 ] } }, { "index": 28, "nt1": "///B/853", "nt2": "///C/861", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -98.105, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 70.879, "chi2": -96.504, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 50.854, "C1C1_dist": 10.316, "N1N9_dist": 8.906, "C6C8_dist": 10.125, "CNNC_torsion": -14.467, "hbonds_num": 2, "hbonds_desc": "O2(carbonyl)-N1(imino)[2.92],O2(carbonyl)-N2(amino)[2.96]", "interBase_angle": 17.394, "planarity": 0.235, "simple_Shear": 1.910, "simple_Stretch": 0.399, "simple_Buckle": -6.294, "simple_Propeller": -16.216, "bp_simpleParams": [ 1.910, 0.399, 0.326, -6.294, -16.216, 14.931 ], "bp_params": [ 1.951, 0.024, 0.326, -9.261, -14.724, 15.006 ], "frame": { "rmsd": null, "origin": [ -50.793, -38.039, -28.974 ], "x_axis": [ -0.305, 0.394, -0.867 ], "y_axis": [ 0.798, -0.391, -0.459 ], "z_axis": [ -0.520, -0.832, -0.195 ], "quaternion": [ -0.165, -0.566, -0.527, 0.613 ] } }, { "index": 29, "nt1": "///B/854", "nt2": "///C/860", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -101.230, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 55.929, "chi2": -88.427, "conf2": "--", "pucker2": "~C2'-endo", "lambda2": 53.492, "C1C1_dist": 10.594, "N1N9_dist": 8.894, "C6C8_dist": 9.882, "CNNC_torsion": -8.025, "hbonds_num": 3, "hbonds_desc": "O2(carbonyl)-N2(amino)[2.67],N3-N1(imino)[2.90],N4(amino)-O6(carbonyl)[3.03]", "interBase_angle": 6.470, "planarity": 0.084, "simple_Shear": 0.457, "simple_Stretch": -0.131, "simple_Buckle": 0.652, "simple_Propeller": -6.437, "bp_simpleParams": [ 0.457, -0.131, 0.026, 0.652, -6.437, 2.868 ], "bp_params": [ 0.452, -0.150, 0.026, 0.389, -6.458, 2.872 ], "frame": { "rmsd": null, "origin": [ -51.804, -40.888, -28.890 ], "x_axis": [ 0.112, 0.283, -0.953 ], "y_axis": [ 0.840, -0.540, -0.062 ], "z_axis": [ -0.532, -0.793, -0.298 ], "quaternion": [ 0.262, 0.698, 0.402, -0.532 ] } } ], "num_helices": 2, "helices": [ { "index": 1, "num_stems": 1, "strand1": "AGGGTCCTAGGACC", "strand2": "tCCCAGGATCCTGG", "bp_type": "||||||||||||||", "helix_form": "xB...BBBBBBBB", "helical_rise": 3.260, "helical_rise_std": 0.477, "helical_radius": 9.901, "helical_radius_std": 1.187, "helical_axis": [ -0.161, -0.908, 0.386 ], "point1": [ -15.539, -6.049, -60.822 ], "point2": [ -22.393, -44.686, -44.394 ], "num_pairs": 14, "pairs": [ { "index": 1, "nt1": "///G/840", "nt2": "///F/900", "bp": "A-t", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.173, -0.024, 0.021, 5.902, -7.311, 1.683 ], "step_params": [ 0.188, 0.175, 3.155, -2.147, 7.088, 27.472 ], "heli_params": [ -1.221, -0.861, 3.079, 14.591, 4.419, 28.434 ], "bp2_params": [ -0.043, -0.207, 0.297, 15.104, -6.511, 0.828 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.155, "simple_Twist": 28.770, "simple_hRise": 3.087, "simple_hTwist": 29.688 }, { "index": 2, "nt1": "///G/841", "nt2": "///H/873", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.043, -0.207, 0.297, 15.104, -6.511, 0.828 ], "step_params": [ 0.094, -0.546, 3.945, 2.144, 10.040, 35.630 ], "heli_params": [ -2.459, 0.193, 3.662, 16.003, -3.417, 37.034 ], "bp2_params": [ -0.318, -0.278, -0.231, -11.524, -19.125, 1.274 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.945, "simple_Twist": 36.194, "simple_hRise": 3.669, "simple_hTwist": 37.575 }, { "index": 3, "nt1": "///G/842", "nt2": "///H/872", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.318, -0.278, -0.231, -11.524, -19.125, 1.274 ], "step_params": [ 1.109, -1.363, 3.382, 1.842, 8.466, 25.851 ], "heli_params": [ -4.974, -1.903, 2.870, 18.280, -3.978, 27.241 ], "bp2_params": [ -0.249, -0.134, 0.057, -14.050, -14.610, 1.263 ], "groove_widths": [ null, null, 19.389, null ], "simple_Rise": 3.382, "simple_Twist": 25.596, "simple_hRise": 2.864, "simple_hTwist": 26.999 }, { "index": 4, "nt1": "///G/843", "nt2": "///H/871", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.249, -0.134, 0.057, -14.050, -14.610, 1.263 ], "step_params": [ -0.940, -1.184, 3.051, 3.133, 3.328, 32.666 ], "heli_params": [ -2.595, 2.136, 2.820, 5.882, -5.537, 32.975 ], "bp2_params": [ -0.119, -0.097, -0.022, -6.836, -6.609, -3.352 ], "groove_widths": [ 13.569, null, 20.146, 19.792 ], "simple_Rise": 3.051, "simple_Twist": 32.205, "simple_hRise": 2.817, "simple_hTwist": 32.519 }, { "index": 5, "nt1": "///G/844", "nt2": "///H/870", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.119, -0.097, -0.022, -6.836, -6.609, -3.352 ], "step_params": [ 0.515, -0.356, 3.215, 3.633, 2.402, 34.280 ], "heli_params": [ -0.966, -0.313, 3.219, 4.054, -6.133, 34.547 ], "bp2_params": [ 0.065, -0.241, -0.330, -2.010, -2.798, -2.274 ], "groove_widths": [ 13.735, 13.550, 20.326, 20.309 ], "simple_Rise": 3.215, "simple_Twist": 33.565, "simple_hRise": 3.219, "simple_hTwist": 33.838 }, { "index": 6, "nt1": "///G/845", "nt2": "///H/869", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.065, -0.241, -0.330, -2.010, -2.798, -2.274 ], "step_params": [ 0.115, -0.651, 3.415, -1.036, 5.065, 33.352 ], "heli_params": [ -1.967, -0.372, 3.279, 8.759, 1.793, 33.739 ], "bp2_params": [ 0.068, -0.220, 0.028, -2.333, -1.479, -0.931 ], "groove_widths": [ 13.672, 13.359, 18.112, 18.046 ], "simple_Rise": 3.415, "simple_Twist": 32.951, "simple_hRise": 3.277, "simple_hTwist": 33.343 }, { "index": 7, "nt1": "///G/846", "nt2": "///H/868", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.068, -0.220, 0.028, -2.333, -1.479, -0.931 ], "step_params": [ 0.071, -0.557, 3.295, 2.339, 2.401, 27.623 ], "heli_params": [ -1.735, 0.413, 3.231, 5.006, -4.875, 27.821 ], "bp2_params": [ -0.151, -0.100, -0.095, 1.965, -5.166, 6.919 ], "groove_widths": [ 14.497, 14.082, 19.835, 19.444 ], "simple_Rise": 3.295, "simple_Twist": 29.072, "simple_hRise": 3.235, "simple_hTwist": 29.260 }, { "index": 8, "nt1": "///G/847", "nt2": "///H/867", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.151, -0.100, -0.095, 1.965, -5.166, 6.919 ], "step_params": [ 0.335, 0.190, 3.165, -1.559, 8.619, 32.675 ], "heli_params": [ -1.030, -0.822, 3.094, 14.987, 2.711, 33.798 ], "bp2_params": [ 0.222, -0.138, 0.103, 15.056, -2.549, 3.269 ], "groove_widths": [ 15.261, 14.895, 18.286, 17.356 ], "simple_Rise": 3.165, "simple_Twist": 30.613, "simple_hRise": 3.082, "simple_hTwist": 31.813 }, { "index": 9, "nt1": "///G/848", "nt2": "///H/866", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.222, -0.138, 0.103, 15.056, -2.549, 3.269 ], "step_params": [ -0.916, 0.223, 3.598, -2.286, 12.231, 31.233 ], "heli_params": [ -1.873, 1.164, 3.495, 21.670, 4.050, 33.563 ], "bp2_params": [ -0.259, -0.250, 0.021, 7.751, -5.653, 1.737 ], "groove_widths": [ 15.098, 14.759, 16.736, 15.824 ], "simple_Rise": 3.598, "simple_Twist": 33.920, "simple_hRise": 3.520, "simple_hTwist": 36.067 }, { "index": 10, "nt1": "///G/849", "nt2": "///H/865", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.259, -0.250, 0.021, 7.751, -5.653, 1.737 ], "step_params": [ -0.187, -0.020, 3.420, 2.633, 7.146, 33.969 ], "heli_params": [ -1.171, 0.731, 3.324, 12.044, -4.437, 34.788 ], "bp2_params": [ -0.209, -0.211, -0.356, 3.953, -12.038, -0.610 ], "groove_widths": [ 13.176, 12.818, 17.399, 17.033 ], "simple_Rise": 3.420, "simple_Twist": 33.844, "simple_hRise": 3.323, "simple_hTwist": 34.666 }, { "index": 11, "nt1": "///G/850", "nt2": "///H/864", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.209, -0.211, -0.356, 3.953, -12.038, -0.610 ], "step_params": [ 0.141, 0.073, 3.500, -1.110, 7.538, 41.517 ], "heli_params": [ -0.731, -0.319, 3.456, 10.527, 1.550, 42.180 ], "bp2_params": [ -0.045, -0.150, -0.453, -9.554, -20.361, 7.939 ], "groove_widths": [ 11.792, null, 16.277, null ], "simple_Rise": 3.500, "simple_Twist": 39.929, "simple_hRise": 3.452, "simple_hTwist": 40.621 }, { "index": 12, "nt1": "///G/851", "nt2": "///H/863", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.045, -0.150, -0.453, -9.554, -20.361, 7.939 ], "step_params": [ 0.089, -0.170, 3.129, -2.450, 1.664, 30.630 ], "heli_params": [ -0.632, -0.626, 3.099, 3.142, 4.624, 30.769 ], "bp2_params": [ 0.456, -0.075, -0.420, -1.867, -12.156, 7.071 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.129, "simple_Twist": 28.370, "simple_hRise": 3.096, "simple_hTwist": 28.521 }, { "index": 13, "nt1": "///G/852", "nt2": "///H/862", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.456, -0.075, -0.420, -1.867, -12.156, 7.071 ], "step_params": [ 0.463, -0.619, 3.361, -1.858, 11.697, 32.462 ], "heli_params": [ -2.848, -1.067, 2.940, 20.107, 3.194, 34.501 ], "bp2_params": [ 0.069, -0.267, -0.071, -5.296, -9.142, 3.761 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.361, "simple_Twist": 34.430, "simple_hRise": 2.973, "simple_hTwist": 36.352 }, { "index": 14, "nt1": "///G/853", "nt2": "///H/861", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W" } ] }, { "index": 2, "num_stems": 1, "strand1": "AGGGTCCTAGGACCC", "strand2": "tCCCAGGATCCTGGG", "bp_type": "|||||||||||||||", "helix_form": "xB..BBBBBBBB..", "helical_rise": 3.225, "helical_rise_std": 0.403, "helical_radius": 9.905, "helical_radius_std": 1.192, "helical_axis": [ -0.366, -0.891, -0.270 ], "point1": [ -33.828, -0.956, -17.650 ], "point2": [ -50.416, -41.323, -29.894 ], "num_pairs": 15, "pairs": [ { "index": 1, "nt1": "///B/840", "nt2": "///A/900", "bp": "A-t", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.087, 0.006, 0.163, 4.880, -8.976, 0.891 ], "step_params": [ 0.377, 0.104, 3.266, -2.168, 10.354, 27.394 ], "heli_params": [ -2.031, -1.213, 3.063, 20.902, 4.377, 29.329 ], "bp2_params": [ -0.070, -0.188, 0.306, 9.011, -11.317, 1.689 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.266, "simple_Twist": 28.259, "simple_hRise": 3.075, "simple_hTwist": 30.136 }, { "index": 2, "nt1": "///B/841", "nt2": "///C/873", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.070, -0.188, 0.306, 9.011, -11.317, 1.689 ], "step_params": [ 0.272, -0.897, 3.565, -0.634, 6.051, 29.136 ], "heli_params": [ -3.093, -0.671, 3.308, 11.866, 1.243, 29.751 ], "bp2_params": [ -0.139, -0.285, 0.227, -5.098, -17.432, -2.101 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.565, "simple_Twist": 28.942, "simple_hRise": 3.306, "simple_hTwist": 29.562 }, { "index": 3, "nt1": "///B/842", "nt2": "///C/872", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.139, -0.285, 0.227, -5.098, -17.432, -2.101 ], "step_params": [ 0.871, -1.134, 3.557, 4.314, 9.872, 30.418 ], "heli_params": [ -3.896, -0.760, 3.137, 18.116, -7.917, 32.227 ], "bp2_params": [ -0.291, -0.254, 0.002, -14.750, -16.242, 0.132 ], "groove_widths": [ null, null, 21.314, null ], "simple_Rise": 3.557, "simple_Twist": 30.956, "simple_hRise": 3.147, "simple_hTwist": 32.734 }, { "index": 4, "nt1": "///B/843", "nt2": "///C/871", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.291, -0.254, 0.002, -14.750, -16.242, 0.132 ], "step_params": [ -0.652, -1.119, 3.207, 1.120, 0.884, 33.123 ], "heli_params": [ -2.105, 1.327, 3.154, 1.549, -1.964, 33.153 ], "bp2_params": [ -0.078, -0.177, 0.229, -12.496, -10.943, 1.396 ], "groove_widths": [ 13.571, null, 19.898, 19.233 ], "simple_Rise": 3.207, "simple_Twist": 32.333, "simple_hRise": 3.153, "simple_hTwist": 32.364 }, { "index": 5, "nt1": "///B/844", "nt2": "///C/870", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.078, -0.177, 0.229, -12.496, -10.943, 1.396 ], "step_params": [ 0.230, -0.567, 3.151, 2.832, 4.963, 31.252 ], "heli_params": [ -1.904, 0.075, 3.036, 9.117, -5.202, 31.757 ], "bp2_params": [ 0.449, -0.127, 0.096, -4.306, -5.927, 0.771 ], "groove_widths": [ 13.799, 13.589, 19.739, 19.739 ], "simple_Rise": 3.151, "simple_Twist": 28.417, "simple_hRise": 3.018, "simple_hTwist": 28.974 }, { "index": 6, "nt1": "///B/845", "nt2": "///C/869", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.449, -0.127, 0.096, -4.306, -5.927, 0.771 ], "step_params": [ 0.473, -0.640, 3.260, 2.196, 3.924, 36.916 ], "heli_params": [ -1.522, -0.453, 3.200, 6.169, -3.453, 37.179 ], "bp2_params": [ 0.077, -0.176, -0.078, -5.032, -1.250, -1.343 ], "groove_widths": [ 13.236, 13.006, 18.082, 18.053 ], "simple_Rise": 3.260, "simple_Twist": 38.953, "simple_hRise": 3.204, "simple_hTwist": 39.202 }, { "index": 7, "nt1": "///B/846", "nt2": "///C/868", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.077, -0.176, -0.078, -5.032, -1.250, -1.343 ], "step_params": [ -0.257, -0.594, 3.162, 0.803, 2.007, 27.913 ], "heli_params": [ -1.684, 0.714, 3.104, 4.153, -1.660, 27.995 ], "bp2_params": [ 0.014, 0.007, -0.065, 5.514, 0.052, 2.787 ], "groove_widths": [ 13.251, 13.063, 20.011, 19.779 ], "simple_Rise": 3.162, "simple_Twist": 28.493, "simple_hRise": 3.105, "simple_hTwist": 28.573 }, { "index": 8, "nt1": "///B/847", "nt2": "///C/867", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.014, 0.007, -0.065, 5.514, 0.052, 2.787 ], "step_params": [ 0.417, 0.368, 3.278, -0.644, 3.286, 33.405 ], "heli_params": [ 0.096, -0.829, 3.290, 5.698, 1.117, 33.568 ], "bp2_params": [ -0.425, -0.012, 0.121, 7.900, -10.281, 7.740 ], "groove_widths": [ 13.799, 13.555, 19.025, 18.385 ], "simple_Rise": 3.278, "simple_Twist": 35.763, "simple_hRise": 3.290, "simple_hTwist": 35.914 }, { "index": 9, "nt1": "///B/848", "nt2": "///C/866", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.425, -0.012, 0.121, 7.900, -10.281, 7.740 ], "step_params": [ -0.385, 0.050, 3.093, -3.322, 9.412, 28.561 ], "heli_params": [ -1.731, 0.093, 2.984, 18.383, 6.488, 30.220 ], "bp2_params": [ -0.879, -0.114, 0.383, 12.672, -4.838, 7.714 ], "groove_widths": [ 13.664, 13.426, 16.927, 16.201 ], "simple_Rise": 3.093, "simple_Twist": 31.122, "simple_hRise": 3.005, "simple_hTwist": 32.646 }, { "index": 10, "nt1": "///B/849", "nt2": "///C/865", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.879, -0.114, 0.383, 12.672, -4.838, 7.714 ], "step_params": [ 0.013, 0.109, 3.094, 1.483, 2.623, 37.515 ], "heli_params": [ -0.154, 0.163, 3.092, 4.070, -2.302, 37.631 ], "bp2_params": [ 0.293, 0.157, 0.323, 14.734, -12.691, 5.286 ], "groove_widths": [ 11.823, 11.677, 17.032, 16.329 ], "simple_Rise": 3.094, "simple_Twist": 31.507, "simple_hRise": 3.090, "simple_hTwist": 31.647 }, { "index": 11, "nt1": "///B/850", "nt2": "///C/864", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.293, 0.157, 0.323, 14.734, -12.691, 5.286 ], "step_params": [ -0.667, -0.008, 3.467, 2.567, 1.785, 39.041 ], "heli_params": [ -0.238, 1.319, 3.414, 2.665, -3.833, 39.161 ], "bp2_params": [ -0.061, -0.207, -0.095, 1.222, -22.334, 2.857 ], "groove_widths": [ 9.856, 9.784, 17.450, 17.030 ], "simple_Rise": 3.467, "simple_Twist": 40.322, "simple_hRise": 3.416, "simple_hTwist": 40.438 }, { "index": 12, "nt1": "///B/851", "nt2": "///C/863", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.061, -0.207, -0.095, 1.222, -22.334, 2.857 ], "step_params": [ 0.204, -0.484, 3.258, -3.477, 1.195, 38.185 ], "heli_params": [ -0.884, -0.741, 3.212, 1.821, 5.300, 38.355 ], "bp2_params": [ 0.848, -0.141, 0.290, -2.011, -20.412, 0.878 ], "groove_widths": [ 10.529, null, 17.931, null ], "simple_Rise": 3.258, "simple_Twist": 33.128, "simple_hRise": 3.202, "simple_hTwist": 33.326 }, { "index": 13, "nt1": "///B/852", "nt2": "///C/862", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.848, -0.141, 0.290, -2.011, -20.412, 0.878 ], "step_params": [ 0.852, 0.175, 3.314, 4.686, 7.297, 37.918 ], "heli_params": [ -0.655, -0.690, 3.367, 11.053, -7.098, 38.861 ], "bp2_params": [ 1.951, 0.024, 0.326, -9.261, -14.724, 15.006 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.314, "simple_Twist": 31.594, "simple_hRise": 3.359, "simple_hTwist": 32.733 }, { "index": 14, "nt1": "///B/853", "nt2": "///C/861", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 1.951, 0.024, 0.326, -9.261, -14.724, 15.006 ], "step_params": [ -0.967, 0.454, 2.830, 0.054, 6.337, 24.646 ], "heli_params": [ -0.577, 2.210, 2.853, 14.542, -0.125, 25.435 ], "bp2_params": [ 0.452, -0.150, 0.026, 0.389, -6.458, 2.872 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 2.830, "simple_Twist": 33.308, "simple_hRise": 2.864, "simple_hTwist": 33.889 }, { "index": 15, "nt1": "///B/854", "nt2": "///C/860", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W" } ] } ], "num_stems": 2, "stems": [ { "index": 1, "helix_index": 1, "strand1": "GGGTCCTAGGACC", "strand2": "CCCAGGATCCTGG", "bp_type": "|||||||||||||", "helix_form": "B...BBBBBBBB", "helical_rise": 3.237, "helical_rise_std": 0.450, "helical_radius": 10.018, "helical_radius_std": 0.946, "helical_axis": [ -0.153, -0.904, 0.399 ], "point1": [ -16.304, -9.371, -59.498 ], "point2": [ -22.242, -44.555, -43.958 ], "num_pairs": 13, "pairs": [ { "index": 1, "nt1": "///G/841", "nt2": "///H/873", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.043, -0.207, 0.297, 15.104, -6.511, 0.828 ], "step_params": [ 0.094, -0.546, 3.945, 2.144, 10.040, 35.630 ], "heli_params": [ -2.459, 0.193, 3.662, 16.003, -3.417, 37.034 ], "bp2_params": [ -0.318, -0.278, -0.231, -11.524, -19.125, 1.274 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.945, "simple_Twist": 36.194, "simple_hRise": 3.669, "simple_hTwist": 37.575 }, { "index": 2, "nt1": "///G/842", "nt2": "///H/872", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.318, -0.278, -0.231, -11.524, -19.125, 1.274 ], "step_params": [ 1.109, -1.363, 3.382, 1.842, 8.466, 25.851 ], "heli_params": [ -4.974, -1.903, 2.870, 18.280, -3.978, 27.241 ], "bp2_params": [ -0.249, -0.134, 0.057, -14.050, -14.610, 1.263 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.382, "simple_Twist": 25.596, "simple_hRise": 2.864, "simple_hTwist": 26.999 }, { "index": 3, "nt1": "///G/843", "nt2": "///H/871", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.249, -0.134, 0.057, -14.050, -14.610, 1.263 ], "step_params": [ -0.940, -1.184, 3.051, 3.133, 3.328, 32.666 ], "heli_params": [ -2.595, 2.136, 2.820, 5.882, -5.537, 32.975 ], "bp2_params": [ -0.119, -0.097, -0.022, -6.836, -6.609, -3.352 ], "groove_widths": [ 13.569, null, 20.146, null ], "simple_Rise": 3.051, "simple_Twist": 32.205, "simple_hRise": 2.817, "simple_hTwist": 32.519 }, { "index": 4, "nt1": "///G/844", "nt2": "///H/870", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.119, -0.097, -0.022, -6.836, -6.609, -3.352 ], "step_params": [ 0.515, -0.356, 3.215, 3.633, 2.402, 34.280 ], "heli_params": [ -0.966, -0.313, 3.219, 4.054, -6.133, 34.547 ], "bp2_params": [ 0.065, -0.241, -0.330, -2.010, -2.798, -2.274 ], "groove_widths": [ 13.735, 13.550, 20.326, 20.309 ], "simple_Rise": 3.215, "simple_Twist": 33.565, "simple_hRise": 3.219, "simple_hTwist": 33.838 }, { "index": 5, "nt1": "///G/845", "nt2": "///H/869", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.065, -0.241, -0.330, -2.010, -2.798, -2.274 ], "step_params": [ 0.115, -0.651, 3.415, -1.036, 5.065, 33.352 ], "heli_params": [ -1.967, -0.372, 3.279, 8.759, 1.793, 33.739 ], "bp2_params": [ 0.068, -0.220, 0.028, -2.333, -1.479, -0.931 ], "groove_widths": [ 13.672, 13.359, 18.112, 18.046 ], "simple_Rise": 3.415, "simple_Twist": 32.951, "simple_hRise": 3.277, "simple_hTwist": 33.343 }, { "index": 6, "nt1": "///G/846", "nt2": "///H/868", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.068, -0.220, 0.028, -2.333, -1.479, -0.931 ], "step_params": [ 0.071, -0.557, 3.295, 2.339, 2.401, 27.623 ], "heli_params": [ -1.735, 0.413, 3.231, 5.006, -4.875, 27.821 ], "bp2_params": [ -0.151, -0.100, -0.095, 1.965, -5.166, 6.919 ], "groove_widths": [ 14.497, 14.082, 19.835, 19.444 ], "simple_Rise": 3.295, "simple_Twist": 29.072, "simple_hRise": 3.235, "simple_hTwist": 29.260 }, { "index": 7, "nt1": "///G/847", "nt2": "///H/867", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.151, -0.100, -0.095, 1.965, -5.166, 6.919 ], "step_params": [ 0.335, 0.190, 3.165, -1.559, 8.619, 32.675 ], "heli_params": [ -1.030, -0.822, 3.094, 14.987, 2.711, 33.798 ], "bp2_params": [ 0.222, -0.138, 0.103, 15.056, -2.549, 3.269 ], "groove_widths": [ 15.261, 14.895, 18.286, 17.356 ], "simple_Rise": 3.165, "simple_Twist": 30.613, "simple_hRise": 3.082, "simple_hTwist": 31.813 }, { "index": 8, "nt1": "///G/848", "nt2": "///H/866", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.222, -0.138, 0.103, 15.056, -2.549, 3.269 ], "step_params": [ -0.916, 0.223, 3.598, -2.286, 12.231, 31.233 ], "heli_params": [ -1.873, 1.164, 3.495, 21.670, 4.050, 33.563 ], "bp2_params": [ -0.259, -0.250, 0.021, 7.751, -5.653, 1.737 ], "groove_widths": [ 15.098, 14.759, 16.736, 15.824 ], "simple_Rise": 3.598, "simple_Twist": 33.920, "simple_hRise": 3.520, "simple_hTwist": 36.067 }, { "index": 9, "nt1": "///G/849", "nt2": "///H/865", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.259, -0.250, 0.021, 7.751, -5.653, 1.737 ], "step_params": [ -0.187, -0.020, 3.420, 2.633, 7.146, 33.969 ], "heli_params": [ -1.171, 0.731, 3.324, 12.044, -4.437, 34.788 ], "bp2_params": [ -0.209, -0.211, -0.356, 3.953, -12.038, -0.610 ], "groove_widths": [ 13.176, 12.818, 17.399, 17.033 ], "simple_Rise": 3.420, "simple_Twist": 33.844, "simple_hRise": 3.323, "simple_hTwist": 34.666 }, { "index": 10, "nt1": "///G/850", "nt2": "///H/864", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.209, -0.211, -0.356, 3.953, -12.038, -0.610 ], "step_params": [ 0.141, 0.073, 3.500, -1.110, 7.538, 41.517 ], "heli_params": [ -0.731, -0.319, 3.456, 10.527, 1.550, 42.180 ], "bp2_params": [ -0.045, -0.150, -0.453, -9.554, -20.361, 7.939 ], "groove_widths": [ 11.792, null, 16.277, null ], "simple_Rise": 3.500, "simple_Twist": 39.929, "simple_hRise": 3.452, "simple_hTwist": 40.621 }, { "index": 11, "nt1": "///G/851", "nt2": "///H/863", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.045, -0.150, -0.453, -9.554, -20.361, 7.939 ], "step_params": [ 0.089, -0.170, 3.129, -2.450, 1.664, 30.630 ], "heli_params": [ -0.632, -0.626, 3.099, 3.142, 4.624, 30.769 ], "bp2_params": [ 0.456, -0.075, -0.420, -1.867, -12.156, 7.071 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.129, "simple_Twist": 28.370, "simple_hRise": 3.096, "simple_hTwist": 28.521 }, { "index": 12, "nt1": "///G/852", "nt2": "///H/862", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.456, -0.075, -0.420, -1.867, -12.156, 7.071 ], "step_params": [ 0.463, -0.619, 3.361, -1.858, 11.697, 32.462 ], "heli_params": [ -2.848, -1.067, 2.940, 20.107, 3.194, 34.501 ], "bp2_params": [ 0.069, -0.267, -0.071, -5.296, -9.142, 3.761 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.361, "simple_Twist": 34.430, "simple_hRise": 2.973, "simple_hTwist": 36.352 }, { "index": 13, "nt1": "///G/853", "nt2": "///H/861", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W" } ] }, { "index": 2, "helix_index": 2, "strand1": "GGGTCCTAGGACCC", "strand2": "CCCAGGATCCTGGG", "bp_type": "||||||||||||||", "helix_form": "B..BBBBBBBB..", "helical_rise": 3.212, "helical_rise_std": 0.356, "helical_radius": 9.966, "helical_radius_std": 1.025, "helical_axis": [ -0.385, -0.884, -0.265 ], "point1": [ -34.877, -4.133, -18.660 ], "point2": [ -50.994, -41.164, -29.761 ], "num_pairs": 14, "pairs": [ { "index": 1, "nt1": "///B/841", "nt2": "///C/873", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.070, -0.188, 0.306, 9.011, -11.317, 1.689 ], "step_params": [ 0.272, -0.897, 3.565, -0.634, 6.051, 29.136 ], "heli_params": [ -3.093, -0.671, 3.308, 11.866, 1.243, 29.751 ], "bp2_params": [ -0.139, -0.285, 0.227, -5.098, -17.432, -2.101 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.565, "simple_Twist": 28.942, "simple_hRise": 3.306, "simple_hTwist": 29.562 }, { "index": 2, "nt1": "///B/842", "nt2": "///C/872", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.139, -0.285, 0.227, -5.098, -17.432, -2.101 ], "step_params": [ 0.871, -1.134, 3.557, 4.314, 9.872, 30.418 ], "heli_params": [ -3.896, -0.760, 3.137, 18.116, -7.917, 32.227 ], "bp2_params": [ -0.291, -0.254, 0.002, -14.750, -16.242, 0.132 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.557, "simple_Twist": 30.956, "simple_hRise": 3.147, "simple_hTwist": 32.734 }, { "index": 3, "nt1": "///B/843", "nt2": "///C/871", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.291, -0.254, 0.002, -14.750, -16.242, 0.132 ], "step_params": [ -0.652, -1.119, 3.207, 1.120, 0.884, 33.123 ], "heli_params": [ -2.105, 1.327, 3.154, 1.549, -1.964, 33.153 ], "bp2_params": [ -0.078, -0.177, 0.229, -12.496, -10.943, 1.396 ], "groove_widths": [ 13.571, null, 19.898, null ], "simple_Rise": 3.207, "simple_Twist": 32.333, "simple_hRise": 3.153, "simple_hTwist": 32.364 }, { "index": 4, "nt1": "///B/844", "nt2": "///C/870", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.078, -0.177, 0.229, -12.496, -10.943, 1.396 ], "step_params": [ 0.230, -0.567, 3.151, 2.832, 4.963, 31.252 ], "heli_params": [ -1.904, 0.075, 3.036, 9.117, -5.202, 31.757 ], "bp2_params": [ 0.449, -0.127, 0.096, -4.306, -5.927, 0.771 ], "groove_widths": [ 13.799, 13.589, 19.739, 19.739 ], "simple_Rise": 3.151, "simple_Twist": 28.417, "simple_hRise": 3.018, "simple_hTwist": 28.974 }, { "index": 5, "nt1": "///B/845", "nt2": "///C/869", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.449, -0.127, 0.096, -4.306, -5.927, 0.771 ], "step_params": [ 0.473, -0.640, 3.260, 2.196, 3.924, 36.916 ], "heli_params": [ -1.522, -0.453, 3.200, 6.169, -3.453, 37.179 ], "bp2_params": [ 0.077, -0.176, -0.078, -5.032, -1.250, -1.343 ], "groove_widths": [ 13.236, 13.006, 18.082, 18.053 ], "simple_Rise": 3.260, "simple_Twist": 38.953, "simple_hRise": 3.204, "simple_hTwist": 39.202 }, { "index": 6, "nt1": "///B/846", "nt2": "///C/868", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.077, -0.176, -0.078, -5.032, -1.250, -1.343 ], "step_params": [ -0.257, -0.594, 3.162, 0.803, 2.007, 27.913 ], "heli_params": [ -1.684, 0.714, 3.104, 4.153, -1.660, 27.995 ], "bp2_params": [ 0.014, 0.007, -0.065, 5.514, 0.052, 2.787 ], "groove_widths": [ 13.251, 13.063, 20.011, 19.779 ], "simple_Rise": 3.162, "simple_Twist": 28.493, "simple_hRise": 3.105, "simple_hTwist": 28.573 }, { "index": 7, "nt1": "///B/847", "nt2": "///C/867", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.014, 0.007, -0.065, 5.514, 0.052, 2.787 ], "step_params": [ 0.417, 0.368, 3.278, -0.644, 3.286, 33.405 ], "heli_params": [ 0.096, -0.829, 3.290, 5.698, 1.117, 33.568 ], "bp2_params": [ -0.425, -0.012, 0.121, 7.900, -10.281, 7.740 ], "groove_widths": [ 13.799, 13.555, 19.025, 18.385 ], "simple_Rise": 3.278, "simple_Twist": 35.763, "simple_hRise": 3.290, "simple_hTwist": 35.914 }, { "index": 8, "nt1": "///B/848", "nt2": "///C/866", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.425, -0.012, 0.121, 7.900, -10.281, 7.740 ], "step_params": [ -0.385, 0.050, 3.093, -3.322, 9.412, 28.561 ], "heli_params": [ -1.731, 0.093, 2.984, 18.383, 6.488, 30.220 ], "bp2_params": [ -0.879, -0.114, 0.383, 12.672, -4.838, 7.714 ], "groove_widths": [ 13.664, 13.426, 16.927, 16.201 ], "simple_Rise": 3.093, "simple_Twist": 31.122, "simple_hRise": 3.005, "simple_hTwist": 32.646 }, { "index": 9, "nt1": "///B/849", "nt2": "///C/865", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.879, -0.114, 0.383, 12.672, -4.838, 7.714 ], "step_params": [ 0.013, 0.109, 3.094, 1.483, 2.623, 37.515 ], "heli_params": [ -0.154, 0.163, 3.092, 4.070, -2.302, 37.631 ], "bp2_params": [ 0.293, 0.157, 0.323, 14.734, -12.691, 5.286 ], "groove_widths": [ 11.823, 11.677, 17.032, 16.329 ], "simple_Rise": 3.094, "simple_Twist": 31.507, "simple_hRise": 3.090, "simple_hTwist": 31.647 }, { "index": 10, "nt1": "///B/850", "nt2": "///C/864", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.293, 0.157, 0.323, 14.734, -12.691, 5.286 ], "step_params": [ -0.667, -0.008, 3.467, 2.567, 1.785, 39.041 ], "heli_params": [ -0.238, 1.319, 3.414, 2.665, -3.833, 39.161 ], "bp2_params": [ -0.061, -0.207, -0.095, 1.222, -22.334, 2.857 ], "groove_widths": [ 9.856, 9.784, 17.450, 17.030 ], "simple_Rise": 3.467, "simple_Twist": 40.322, "simple_hRise": 3.416, "simple_hTwist": 40.438 }, { "index": 11, "nt1": "///B/851", "nt2": "///C/863", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.061, -0.207, -0.095, 1.222, -22.334, 2.857 ], "step_params": [ 0.204, -0.484, 3.258, -3.477, 1.195, 38.185 ], "heli_params": [ -0.884, -0.741, 3.212, 1.821, 5.300, 38.355 ], "bp2_params": [ 0.848, -0.141, 0.290, -2.011, -20.412, 0.878 ], "groove_widths": [ 10.529, null, 17.931, null ], "simple_Rise": 3.258, "simple_Twist": 33.128, "simple_hRise": 3.202, "simple_hTwist": 33.326 }, { "index": 12, "nt1": "///B/852", "nt2": "///C/862", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.848, -0.141, 0.290, -2.011, -20.412, 0.878 ], "step_params": [ 0.852, 0.175, 3.314, 4.686, 7.297, 37.918 ], "heli_params": [ -0.655, -0.690, 3.367, 11.053, -7.098, 38.861 ], "bp2_params": [ 1.951, 0.024, 0.326, -9.261, -14.724, 15.006 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.314, "simple_Twist": 31.594, "simple_hRise": 3.359, "simple_hTwist": 32.733 }, { "index": 13, "nt1": "///B/853", "nt2": "///C/861", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 1.951, 0.024, 0.326, -9.261, -14.724, 15.006 ], "step_params": [ -0.967, 0.454, 2.830, 0.054, 6.337, 24.646 ], "heli_params": [ -0.577, 2.210, 2.853, 14.542, -0.125, 25.435 ], "bp2_params": [ 0.452, -0.150, 0.026, 0.389, -6.458, 2.872 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 2.830, "simple_Twist": 33.308, "simple_hRise": 2.864, "simple_hTwist": 33.889 }, { "index": 14, "nt1": "///B/854", "nt2": "///C/860", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W" } ] } ], "num_isoCanonPairs": 2, "isoCanonPairs": [ { "index": -1, "helix_index": 1, "nt1": "///G/840", "nt2": "///F/900", "bp": "A-t", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W" }, { "index": -2, "helix_index": 2, "nt1": "///B/840", "nt2": "///A/900", "bp": "A-t", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W" } ], "num_stacks": 8, "stacks": [ { "index": 1, "num_nts": 2, "nts_short": "FT", "nts_long": "///F/295,///G/839" }, { "index": 2, "num_nts": 2, "nts_short": "FT", "nts_long": "///A/295,///B/839" }, { "index": 3, "num_nts": 2, "nts_short": "AG", "nts_long": "///G/840,///G/841" }, { "index": 4, "num_nts": 2, "nts_short": "CC", "nts_long": "///G/853,///G/854" }, { "index": 5, "num_nts": 2, "nts_short": "Ct", "nts_long": "///H/873,///F/900" }, { "index": 6, "num_nts": 2, "nts_short": "AG", "nts_long": "///B/840,///B/841" }, { "index": 7, "num_nts": 2, "nts_short": "AG", "nts_long": "///C/859,///C/860" }, { "index": 8, "num_nts": 2, "nts_short": "Ct", "nts_long": "///C/873,///A/900" } ], "nonStack": { "num_nts": 3, "nts_short": "CCT", "nts_long": "///G/838,///B/838,///C/858" }, "num_ssSegments": 4, "ssSegments": [ { "index": 1, "num_nts": 2, "nts_short": "CT", "nts_long": "///G/838,///G/839" }, { "index": 2, "num_nts": 1, "nts_short": "C", "nts_long": "///G/854" }, { "index": 3, "num_nts": 2, "nts_short": "CT", "nts_long": "///B/838,///B/839" }, { "index": 4, "num_nts": 2, "nts_short": "TA", "nts_long": "///C/858,///C/859" } ], "num_splayUnits": 3, "splayUnits": [ { "index": 1, "num_nts": 2, "nts_short": "TA", "nts_long": "///G/839,///G/840" }, { "index": 2, "num_nts": 2, "nts_short": "TA", "nts_long": "///B/839,///B/840" }, { "index": 3, "num_nts": 2, "nts_short": "TA", "nts_long": "///C/858,///C/859" } ], "dbn": { "all_chains": { "num_nts": 65, "num_chars": 70, "bseq": "CTAGGGTCCTAGGACCC&GGTCCTAGGACCC&CTAGGGTCCTAGGACCC&TAGGGTCCTAGGACCC&t&t", "bseqUP": "CTAGGGTCCTAGGACCC&GGTCCTAGGACCC&CTAGGGTCCTAGGACCC&TAGGGTCCTAGGACCC&T&T", "sstr": "...(((((((((((((.&)))))))))))))&...((((((((((((((&..))))))))))))))&.&.", "form": "..BB.ABBBBBBBB.B-&BBBBBBBBB..B-&..B..A.BBBBBBBB.-&..BB.BBBB.BB.B.-&-&-" }, "chain_G": { "num_nts": 17, "num_chars": 17, "bseq": "CTAGGGTCCTAGGACCC", "bseqUP": "CTAGGGTCCTAGGACCC", "sstr": "...(((((((((((((.", "form": "..BB.ABBBBBBBB.B-" }, "chain_H": { "num_nts": 13, "num_chars": 13, "bseq": "GGTCCTAGGACCC", "bseqUP": "GGTCCTAGGACCC", "sstr": ")))))))))))))", "form": "BBBBBBBBB..B-" }, "chain_B": { "num_nts": 17, "num_chars": 17, "bseq": "CTAGGGTCCTAGGACCC", "bseqUP": "CTAGGGTCCTAGGACCC", "sstr": "...((((((((((((((", "form": "..B..A.BBBBBBBB.-" }, "chain_C": { "num_nts": 16, "num_chars": 16, "bseq": "TAGGGTCCTAGGACCC", "bseqUP": "TAGGGTCCTAGGACCC", "sstr": "..))))))))))))))", "form": "..BB.BBBB.BB.B.-" } }, "chains": { "chain_G": { "num_nts": 17, "bseq": "CTAGGGTCCTAGGACCC", "sstr": "...(((((((((((((.", "form": "..BB.ABBBBBBBB.B-", "helical_rise": 3.252, "helical_rise_std": 0.473, "helical_axis": [ -0.155, -0.953, 0.262 ], "point1": [ -16.299, -0.570, -59.599 ], "point2": [ -24.389, -50.203, -45.969 ], "num_chars": 49, "suite": "C0iT3bA!!G!!G1cG1bT!!C!!C!!T!!A!!G!!G!!A!!C!!C!!C" }, "chain_H": { "num_nts": 13, "bseq": "GGTCCTAGGACCC", "sstr": ")))))))))))))", "form": "BBBBBBBBB..B-", "helical_rise": 3.240, "helical_rise_std": 0.396, "helical_axis": [ 0.171, 0.867, -0.469 ], "point1": [ -22.047, -42.977, -42.621 ], "point2": [ -15.401, -9.259, -60.869 ], "num_chars": 37, "suite": "G!!G!!T!!C!!C!!T1bA!!G!!G!!A!!C1bC!!C" }, "chain_B": { "num_nts": 17, "bseq": "CTAGGGTCCTAGGACCC", "sstr": "...((((((((((((((", "form": "..B..A.BBBBBBBB.-", "helical_rise": 3.118, "helical_rise_std": 0.479, "helical_axis": [ -0.234, -0.944, -0.233 ], "point1": [ -34.897, 3.707, -20.642 ], "point2": [ -46.570, -43.292, -32.222 ], "num_chars": 49, "suite": "C!!T3bA!!G!!G!!G1aT1bC!!C!!T!!A!!G4bG4bA!!C!!C!!C" }, "chain_C": { "num_nts": 16, "bseq": "TAGGGTCCTAGGACCC", "sstr": "..))))))))))))))", "form": "..BB.BBBB.BB.B.-", "helical_rise": 3.276, "helical_rise_std": 0.355, "helical_axis": [ 0.430, 0.876, 0.217 ], "point1": [ -56.108, -45.884, -32.206 ], "point2": [ -34.971, -2.794, -21.515 ], "num_chars": 46, "suite": "T!!A4bG!!G!!G!!T!!C!!C!!T!!A!!G!!G!!A!!C1bC!!C" } }, "num_nts": 65, "nts": [ { "index": 1, "index_chain": 1, "chain_name": "G", "nt_resnum": 838, "nt_name": "DC", "nt_code": "C", "nt_id": "///G/838", "linked_nts": [ null, "///G/839" ], "nt_type": "DNA", "dbn": ".", "summary": "anti,~C2'-endo,non-stack,ss-non-loop", "alpha": null, "beta": -167.232, "gamma": 53.697, "delta": 146.091, "epsilon": -72.081, "zeta": 98.944, "epsilon_zeta": 188.975, "bb_type": "--", "chi": -95.477, "glyco_bond": "anti", "C5prime_xyz": [ -2.672, 8.058, -2.309 ], "P_xyz": [ -0.533, 9.562, -2.382 ], "form": ".", "ssZp": 0.096, "Dp": 0.425, "splay_angle": 38.778, "splay_distance": 6.377, "splay_ratio": 0.334, "d22": 6.325, "d64": 7.618, "eta": null, "theta": 159.594, "eta_prime": null, "theta_prime": 143.453, "eta_base": null, "theta_base": -157.296, "v0": -29.811, "v1": 43.320, "v2": -40.315, "v3": 24.354, "v4": 2.979, "amplitude": 43.682, "phase_angle": 157.357, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "inc", "cluster": "__", "suiteness": 0.000, "filter_rmsd": 0.061, "frame": { "rmsd": 0.009, "origin": [ -19.444, 0.756, -51.238 ], "x_axis": [ 0.166, 0.795, 0.583 ], "y_axis": [ -0.657, 0.530, -0.536 ], "z_axis": [ -0.736, -0.294, 0.610 ], "quaternion": [ 0.759, -0.080, -0.434, 0.478 ] } }, { "index": 2, "index_chain": 2, "chain_name": "G", "nt_resnum": 839, "nt_name": "DT", "nt_code": "T", "nt_id": "///G/839", "linked_nts": [ "///G/838", "///G/840" ], "nt_type": "DNA", "dbn": ".", "summary": "anti,~C3'-endo,ss-non-loop,phosphate,splayed-apart", "alpha": 100.773, "beta": -140.227, "gamma": 169.300, "delta": 93.195, "epsilon": -143.948, "zeta": 165.620, "epsilon_zeta": 50.432, "bb_type": "--", "chi": -172.608, "glyco_bond": "anti", "C5prime_xyz": [ -1.156, 8.250, 1.438 ], "P_xyz": [ 0.836, 9.161, 0.170 ], "form": ".", "ssZp": 4.437, "Dp": 4.501, "splay_angle": 117.793, "splay_distance": 14.902, "splay_ratio": 0.856, "d22": null, "d64": null, "eta": -178.471, "theta": 79.436, "eta_prime": -178.346, "theta_prime": 105.088, "eta_base": -113.290, "theta_base": 126.792, "v0": 12.573, "v1": -29.947, "v2": 35.509, "v3": -29.033, "v4": 10.494, "amplitude": 35.522, "phase_angle": 358.431, "puckering": "C2'-exo", "sugar_class": "~C3'-endo", "bin": "23t", "cluster": "0i", "suiteness": 0.309, "filter_rmsd": 0.106, "frame": { "rmsd": 0.008, "origin": [ -23.113, -4.460, -51.261 ], "x_axis": [ -0.923, 0.216, 0.318 ], "y_axis": [ -0.184, 0.478, -0.859 ], "z_axis": [ -0.338, -0.851, -0.401 ], "quaternion": [ -0.196, 0.009, 0.837, -0.511 ] } }, { "index": 3, "index_chain": 3, "chain_name": "G", "nt_resnum": 840, "nt_name": "DA", "nt_code": "A", "nt_id": "///G/840", "linked_nts": [ "///G/839", "///G/841" ], "nt_type": "DNA", "dbn": ".", "summary": "anti,~C2'-endo,BI,isolated-canonical,non-pair-contact,helix-end,phosphate,splayed-apart", "alpha": -59.886, "beta": -163.055, "gamma": 54.342, "delta": 146.268, "epsilon": -174.025, "zeta": -95.393, "epsilon_zeta": -78.632, "bb_type": "BI", "chi": -94.525, "glyco_bond": "anti", "C5prime_xyz": [ -1.750, 7.763, -2.280 ], "P_xyz": [ 0.649, 8.536, -1.732 ], "form": "B", "ssZp": 1.464, "Dp": 1.890, "splay_angle": 19.331, "splay_distance": 3.294, "splay_ratio": 0.168, "d22": null, "d64": null, "eta": -146.422, "theta": -120.526, "eta_prime": -152.791, "theta_prime": -137.229, "eta_base": 156.672, "theta_base": -107.473, "v0": -7.908, "v1": 24.021, "v2": -30.492, "v3": 26.490, "v4": -12.129, "amplitude": 30.570, "phase_angle": 184.078, "puckering": "C3'-exo", "sugar_class": "~C2'-endo", "bin": "32p", "cluster": "3b", "suiteness": 0.661, "filter_rmsd": 0.040, "frame": { "rmsd": 0.015, "origin": [ -14.616, -7.639, -63.083 ], "x_axis": [ 0.315, 0.007, 0.949 ], "y_axis": [ -0.949, 0.002, 0.315 ], "z_axis": [ 0.000, -1.000, 0.007 ], "quaternion": [ 0.575, 0.571, -0.412, 0.415 ] } }, { "index": 4, "index_chain": 4, "chain_name": "G", "nt_resnum": 841, "nt_name": "DG", "nt_code": "G", "nt_id": "///G/841", "linked_nts": [ "///G/840", "///G/842" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem-end,phosphate", "alpha": -68.567, "beta": 176.564, "gamma": 47.872, "delta": 135.212, "epsilon": -171.181, "zeta": -118.555, "epsilon_zeta": -52.626, "bb_type": "BI", "chi": -91.116, "glyco_bond": "anti", "C5prime_xyz": [ -3.223, 7.805, -2.369 ], "P_xyz": [ -1.174, 9.262, -2.992 ], "form": "B", "ssZp": 2.253, "Dp": 2.277, "splay_angle": 22.023, "splay_distance": 3.745, "splay_ratio": 0.192, "d22": null, "d64": null, "eta": 156.965, "theta": -156.681, "eta_prime": -172.056, "theta_prime": -178.686, "eta_base": -136.438, "theta_base": -131.295, "v0": -31.287, "v1": 38.625, "v2": -31.152, "v3": 14.444, "v4": 10.278, "amplitude": 37.773, "phase_angle": 145.560, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.013, "frame": { "rmsd": 0.013, "origin": [ -14.839, -10.867, -62.471 ], "x_axis": [ -0.144, 0.158, 0.977 ], "y_axis": [ -0.986, -0.109, -0.128 ], "z_axis": [ 0.086, -0.981, 0.171 ], "quaternion": [ 0.479, 0.445, -0.465, 0.597 ] } }, { "index": 5, "index_chain": 5, "chain_name": "G", "nt_resnum": 842, "nt_name": "DG", "nt_code": "G", "nt_id": "///G/842", "linked_nts": [ "///G/841", "///G/843" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C3'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -75.170, "beta": 155.257, "gamma": 60.700, "delta": 82.093, "epsilon": -160.048, "zeta": -75.350, "epsilon_zeta": -84.698, "bb_type": "BI", "chi": -151.117, "glyco_bond": "anti", "C5prime_xyz": [ -2.252, 8.947, -0.052 ], "P_xyz": [ 0.068, 9.916, -0.579 ], "form": ".", "ssZp": 4.020, "Dp": 4.278, "splay_angle": 21.058, "splay_distance": 3.974, "splay_ratio": 0.196, "d22": null, "d64": null, "eta": 163.481, "theta": -123.127, "eta_prime": 164.909, "theta_prime": -137.867, "eta_base": -138.224, "theta_base": -114.179, "v0": -9.509, "v1": -16.758, "v2": 34.772, "v3": -41.594, "v4": 32.637, "amplitude": 41.022, "phase_angle": 32.042, "puckering": "C3'-endo", "sugar_class": "~C3'-endo", "bin": "23p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.018, "frame": { "rmsd": 0.018, "origin": [ -14.555, -14.333, -61.081 ], "x_axis": [ -0.697, 0.175, 0.695 ], "y_axis": [ -0.715, -0.098, -0.692 ], "z_axis": [ -0.053, -0.980, 0.193 ], "quaternion": [ 0.315, 0.228, -0.593, 0.705 ] } }, { "index": 6, "index_chain": 6, "chain_name": "G", "nt_resnum": 843, "nt_name": "DG", "nt_code": "G", "nt_id": "///G/843", "linked_nts": [ "///G/842", "///G/844" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C3'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": 123.997, "beta": -153.442, "gamma": -156.314, "delta": 83.939, "epsilon": -163.788, "zeta": -69.488, "epsilon_zeta": -94.301, "bb_type": "BI", "chi": -174.286, "glyco_bond": "anti", "C5prime_xyz": [ -1.856, 8.687, 1.140 ], "P_xyz": [ -1.210, 10.801, -0.243 ], "form": "A", "ssZp": 4.386, "Dp": 4.351, "splay_angle": 20.876, "splay_distance": 3.359, "splay_ratio": 0.184, "d22": null, "d64": null, "eta": 178.424, "theta": 163.270, "eta_prime": -171.825, "theta_prime": -177.336, "eta_base": -129.453, "theta_base": -153.581, "v0": -5.838, "v1": -17.998, "v2": 33.202, "v3": -37.905, "v4": 28.129, "amplitude": 37.534, "phase_angle": 27.799, "puckering": "C3'-endo", "sugar_class": "~C3'-endo", "bin": "33t", "cluster": "1c", "suiteness": 0.078, "filter_rmsd": 0.019, "frame": { "rmsd": 0.019, "origin": [ -15.270, -16.715, -57.980 ], "x_axis": [ -0.932, 0.222, 0.287 ], "y_axis": [ -0.341, -0.269, -0.901 ], "z_axis": [ -0.123, -0.937, 0.326 ], "quaternion": [ 0.177, 0.052, -0.578, 0.795 ] } }, { "index": 7, "index_chain": 7, "chain_name": "G", "nt_resnum": 844, "nt_name": "DT", "nt_code": "T", "nt_id": "///G/844", "linked_nts": [ "///G/843", "///G/845" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -63.335, "beta": -168.535, "gamma": 50.483, "delta": 128.484, "epsilon": -170.596, "zeta": -91.236, "epsilon_zeta": -79.360, "bb_type": "BI", "chi": -128.724, "glyco_bond": "anti", "C5prime_xyz": [ -1.782, 8.612, -0.891 ], "P_xyz": [ 0.603, 9.405, -0.108 ], "form": "B", "ssZp": 2.925, "Dp": 2.782, "splay_angle": 18.363, "splay_distance": 3.154, "splay_ratio": 0.161, "d22": 4.110, "d64": 3.796, "eta": 175.784, "theta": -132.808, "eta_prime": -161.717, "theta_prime": -140.285, "eta_base": -137.378, "theta_base": -102.798, "v0": -18.746, "v1": 23.658, "v2": -19.375, "v3": 8.987, "v4": 6.008, "amplitude": 23.227, "phase_angle": 146.530, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "32p", "cluster": "1b", "suiteness": 0.302, "filter_rmsd": 0.111, "frame": { "rmsd": 0.012, "origin": [ -14.988, -18.875, -55.423 ], "x_axis": [ -0.973, 0.083, -0.217 ], "y_axis": [ 0.147, -0.506, -0.850 ], "z_axis": [ -0.181, -0.858, 0.480 ], "quaternion": [ -0.018, -0.116, -0.497, 0.860 ] } }, { "index": 8, "index_chain": 8, "chain_name": "G", "nt_resnum": 845, "nt_name": "DC", "nt_code": "C", "nt_id": "///G/845", "linked_nts": [ "///G/844", "///G/846" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -57.899, "beta": 171.328, "gamma": 53.117, "delta": 125.102, "epsilon": -173.881, "zeta": -99.177, "epsilon_zeta": -74.704, "bb_type": "BI", "chi": -123.983, "glyco_bond": "anti", "C5prime_xyz": [ -2.327, 8.739, -1.412 ], "P_xyz": [ -0.025, 9.912, -1.393 ], "form": "B", "ssZp": 2.585, "Dp": 2.498, "splay_angle": 21.254, "splay_distance": 3.652, "splay_ratio": 0.186, "d22": 4.302, "d64": 3.997, "eta": 167.902, "theta": -146.661, "eta_prime": -164.003, "theta_prime": -156.519, "eta_base": -115.323, "theta_base": -120.235, "v0": -33.393, "v1": 35.336, "v2": -24.256, "v3": 5.748, "v4": 17.242, "amplitude": 35.606, "phase_angle": 132.940, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.068, "frame": { "rmsd": 0.016, "origin": [ -16.579, -21.101, -53.855 ], "x_axis": [ -0.712, -0.209, -0.670 ], "y_axis": [ 0.643, -0.576, -0.504 ], "z_axis": [ -0.281, -0.790, 0.545 ], "quaternion": [ -0.253, -0.282, -0.384, 0.842 ] } }, { "index": 9, "index_chain": 9, "chain_name": "G", "nt_resnum": 846, "nt_name": "DC", "nt_code": "C", "nt_id": "///G/846", "linked_nts": [ "///G/845", "///G/847" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -65.718, "beta": 176.616, "gamma": 57.269, "delta": 118.135, "epsilon": -173.338, "zeta": -93.802, "epsilon_zeta": -79.536, "bb_type": "BI", "chi": -127.700, "glyco_bond": "anti", "C5prime_xyz": [ -2.238, 8.752, -1.375 ], "P_xyz": [ 0.047, 9.989, -1.133 ], "form": "B", "ssZp": 2.362, "Dp": 2.495, "splay_angle": 18.838, "splay_distance": 3.271, "splay_ratio": 0.165, "d22": 4.387, "d64": 3.987, "eta": 173.291, "theta": -146.626, "eta_prime": -166.882, "theta_prime": -154.916, "eta_base": -123.412, "theta_base": -121.352, "v0": -33.526, "v1": 30.676, "v2": -17.143, "v3": -1.510, "v4": 21.941, "amplitude": 33.242, "phase_angle": 121.045, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.064, "frame": { "rmsd": 0.006, "origin": [ -18.334, -23.742, -52.044 ], "x_axis": [ -0.203, -0.425, -0.882 ], "y_axis": [ 0.928, -0.372, -0.034 ], "z_axis": [ -0.314, -0.825, 0.470 ], "quaternion": [ -0.473, -0.418, -0.300, 0.715 ] } }, { "index": 10, "index_chain": 10, "chain_name": "G", "nt_resnum": 847, "nt_name": "DT", "nt_code": "T", "nt_id": "///G/847", "linked_nts": [ "///G/846", "///G/848" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -56.163, "beta": 174.707, "gamma": 48.382, "delta": 117.022, "epsilon": -164.692, "zeta": -90.801, "epsilon_zeta": -73.891, "bb_type": "BI", "chi": -120.146, "glyco_bond": "anti", "C5prime_xyz": [ -2.408, 8.489, -1.791 ], "P_xyz": [ -0.287, 9.963, -1.740 ], "form": "B", "ssZp": 2.139, "Dp": 2.404, "splay_angle": 19.240, "splay_distance": 3.312, "splay_ratio": 0.167, "d22": null, "d64": null, "eta": 176.361, "theta": -140.976, "eta_prime": -165.399, "theta_prime": -142.940, "eta_base": -126.304, "theta_base": -107.293, "v0": -34.821, "v1": 31.850, "v2": -17.683, "v3": -1.656, "v4": 22.785, "amplitude": 34.483, "phase_angle": 120.851, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.105, "frame": { "rmsd": 0.007, "origin": [ -19.951, -26.268, -50.740 ], "x_axis": [ 0.305, -0.571, -0.762 ], "y_axis": [ 0.865, -0.169, 0.473 ], "z_axis": [ -0.399, -0.803, 0.443 ], "quaternion": [ 0.628, 0.508, 0.145, -0.571 ] } }, { "index": 11, "index_chain": 11, "chain_name": "G", "nt_resnum": 848, "nt_name": "DA", "nt_code": "A", "nt_id": "///G/848", "linked_nts": [ "///G/847", "///G/849" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,canonical,non-pair-contact,helix,stem", "alpha": -57.896, "beta": 173.788, "gamma": 34.573, "delta": 132.762, "epsilon": -156.455, "zeta": -158.201, "epsilon_zeta": 1.746, "bb_type": "--", "chi": -94.778, "glyco_bond": "anti", "C5prime_xyz": [ -3.060, 7.861, -2.319 ], "P_xyz": [ -1.071, 9.428, -2.790 ], "form": "B", "ssZp": 2.097, "Dp": 2.262, "splay_angle": 22.130, "splay_distance": 3.729, "splay_ratio": 0.197, "d22": null, "d64": null, "eta": 160.787, "theta": -177.002, "eta_prime": -172.248, "theta_prime": -178.345, "eta_base": -131.396, "theta_base": -145.324, "v0": -33.906, "v1": 39.010, "v2": -29.300, "v3": 10.700, "v4": 14.261, "amplitude": 38.418, "phase_angle": 139.699, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.039, "frame": { "rmsd": 0.006, "origin": [ -20.566, -29.381, -49.791 ], "x_axis": [ 0.764, -0.430, -0.481 ], "y_axis": [ 0.534, 0.003, 0.846 ], "z_axis": [ -0.363, -0.903, 0.232 ], "quaternion": [ 0.707, 0.618, 0.042, -0.341 ] } }, { "index": 12, "index_chain": 12, "chain_name": "G", "nt_resnum": 849, "nt_name": "DG", "nt_code": "G", "nt_id": "///G/849", "linked_nts": [ "///G/848", "///G/850" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -24.914, "beta": 148.976, "gamma": 27.046, "delta": 144.449, "epsilon": -166.587, "zeta": -106.623, "epsilon_zeta": -59.964, "bb_type": "BI", "chi": -105.010, "glyco_bond": "anti", "C5prime_xyz": [ -1.868, 8.209, -1.882 ], "P_xyz": [ 0.557, 8.901, -1.322 ], "form": "B", "ssZp": 1.823, "Dp": 1.991, "splay_angle": 19.150, "splay_distance": 3.244, "splay_ratio": 0.166, "d22": null, "d64": null, "eta": 172.471, "theta": -128.365, "eta_prime": -169.150, "theta_prime": -146.298, "eta_base": -136.559, "theta_base": -110.781, "v0": -17.095, "v1": 32.178, "v2": -34.431, "v3": 25.448, "v4": -5.518, "amplitude": 34.941, "phase_angle": 170.198, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.006, "frame": { "rmsd": 0.006, "origin": [ -22.088, -32.382, -48.185 ], "x_axis": [ 0.989, -0.136, -0.065 ], "y_axis": [ 0.095, 0.225, 0.970 ], "z_axis": [ -0.117, -0.965, 0.236 ], "quaternion": [ 0.783, 0.618, -0.017, -0.074 ] } }, { "index": 13, "index_chain": 13, "chain_name": "G", "nt_resnum": 850, "nt_name": "DG", "nt_code": "G", "nt_id": "///G/850", "linked_nts": [ "///G/849", "///G/851" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -72.976, "beta": 164.753, "gamma": 65.070, "delta": 134.087, "epsilon": -179.866, "zeta": -118.346, "epsilon_zeta": -61.520, "bb_type": "BI", "chi": -111.544, "glyco_bond": "anti", "C5prime_xyz": [ -2.664, 8.400, -1.823 ], "P_xyz": [ -0.329, 9.483, -2.251 ], "form": "B", "ssZp": 2.270, "Dp": 2.336, "splay_angle": 21.686, "splay_distance": 3.471, "splay_ratio": 0.188, "d22": null, "d64": null, "eta": 156.554, "theta": -152.183, "eta_prime": -169.049, "theta_prime": -168.768, "eta_base": -125.999, "theta_base": -112.358, "v0": -33.699, "v1": 41.718, "v2": -33.406, "v3": 15.158, "v4": 11.243, "amplitude": 40.690, "phase_angle": 145.183, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.008, "frame": { "rmsd": 0.008, "origin": [ -22.166, -35.512, -47.337 ], "x_axis": [ 0.892, 0.083, 0.444 ], "y_axis": [ -0.452, 0.181, 0.874 ], "z_axis": [ -0.008, -0.980, 0.199 ], "quaternion": [ 0.754, 0.615, -0.150, 0.177 ] } }, { "index": 14, "index_chain": 14, "chain_name": "G", "nt_resnum": 851, "nt_name": "DA", "nt_code": "A", "nt_id": "///G/851", "linked_nts": [ "///G/850", "///G/852" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -32.988, "beta": -178.741, "gamma": 29.041, "delta": 149.351, "epsilon": -172.775, "zeta": -91.976, "epsilon_zeta": -80.799, "bb_type": "BI", "chi": -104.894, "glyco_bond": "anti", "C5prime_xyz": [ -1.617, 8.084, -1.759 ], "P_xyz": [ 0.609, 9.149, -0.998 ], "form": "B", "ssZp": 1.716, "Dp": 1.831, "splay_angle": 17.835, "splay_distance": 3.165, "splay_ratio": 0.158, "d22": null, "d64": null, "eta": 176.661, "theta": -121.435, "eta_prime": -161.639, "theta_prime": -137.405, "eta_base": -102.519, "theta_base": -100.408, "v0": -7.617, "v1": 26.176, "v2": -33.994, "v3": 30.487, "v4": -14.651, "amplitude": 34.193, "phase_angle": 186.189, "puckering": "C3'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.037, "frame": { "rmsd": 0.007, "origin": [ -21.667, -38.676, -46.000 ], "x_axis": [ 0.294, 0.241, 0.925 ], "y_axis": [ -0.956, 0.072, 0.285 ], "z_axis": [ 0.002, -0.968, 0.251 ], "quaternion": [ 0.636, 0.493, -0.363, 0.470 ] } }, { "index": 15, "index_chain": 15, "chain_name": "G", "nt_resnum": 852, "nt_name": "DC", "nt_code": "C", "nt_id": "///G/852", "linked_nts": [ "///G/851", "///G/853" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -64.304, "beta": 173.908, "gamma": 43.824, "delta": 125.219, "epsilon": -172.543, "zeta": -113.497, "epsilon_zeta": -59.046, "bb_type": "BI", "chi": -104.950, "glyco_bond": "anti", "C5prime_xyz": [ -3.141, 8.218, -2.079 ], "P_xyz": [ -1.244, 9.933, -2.504 ], "form": ".", "ssZp": 2.458, "Dp": 2.484, "splay_angle": 20.183, "splay_distance": 3.581, "splay_ratio": 0.179, "d22": 3.887, "d64": 3.773, "eta": 158.427, "theta": -154.540, "eta_prime": -173.094, "theta_prime": -162.934, "eta_base": -127.540, "theta_base": -126.687, "v0": -37.443, "v1": 39.694, "v2": -27.156, "v3": 6.497, "v4": 18.958, "amplitude": 39.812, "phase_angle": 133.009, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.063, "frame": { "rmsd": 0.006, "origin": [ -21.163, -41.391, -44.453 ], "x_axis": [ -0.228, 0.279, 0.933 ], "y_axis": [ -0.968, -0.169, -0.186 ], "z_axis": [ 0.105, -0.945, 0.309 ], "quaternion": [ 0.478, 0.397, -0.433, 0.653 ] } }, { "index": 16, "index_chain": 16, "chain_name": "G", "nt_resnum": 853, "nt_name": "DC", "nt_code": "C", "nt_id": "///G/853", "linked_nts": [ "///G/852", "///G/854" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix-end,stem-end", "alpha": -31.707, "beta": 168.264, "gamma": 24.767, "delta": 129.250, "epsilon": -168.505, "zeta": -128.476, "epsilon_zeta": -40.029, "bb_type": "BI", "chi": -111.984, "glyco_bond": "anti", "C5prime_xyz": [ -2.631, 8.470, -1.790 ], "P_xyz": [ -0.668, 10.213, -1.666 ], "form": "B", "ssZp": 2.560, "Dp": 2.483, "splay_angle": 17.187, "splay_distance": 2.999, "splay_ratio": 0.152, "d22": 4.611, "d64": 4.099, "eta": 170.955, "theta": -146.121, "eta_prime": -173.261, "theta_prime": -151.299, "eta_base": -131.553, "theta_base": -117.193, "v0": -33.425, "v1": 38.332, "v2": -28.295, "v3": 10.053, "v4": 14.385, "amplitude": 37.574, "phase_angle": 138.855, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.064, "frame": { "rmsd": 0.006, "origin": [ -20.578, -44.168, -42.269 ], "x_axis": [ -0.709, 0.337, 0.619 ], "y_axis": [ -0.705, -0.343, -0.621 ], "z_axis": [ 0.003, -0.877, 0.481 ], "quaternion": [ 0.328, 0.195, -0.471, 0.796 ] } }, { "index": 17, "index_chain": 17, "chain_name": "G", "nt_resnum": 854, "nt_name": "DC", "nt_code": "C", "nt_id": "///G/854", "linked_nts": [ "///G/853", null ], "nt_type": "DNA", "dbn": ".", "summary": "anti,~C2'-endo,non-pair-contact,ss-non-loop", "alpha": 17.919, "beta": 148.398, "gamma": -13.567, "delta": 128.820, "epsilon": null, "zeta": null, "epsilon_zeta": null, "bb_type": "--", "chi": -83.200, "glyco_bond": "anti", "C5prime_xyz": [ -2.903, 7.534, -2.826 ], "P_xyz": [ -1.212, 9.450, -3.494 ], "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": -25.280, "v1": 30.782, "v2": -24.504, "v3": 10.647, "v4": 9.046, "amplitude": 30.225, "phase_angle": 144.165, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.064, "frame": { "rmsd": 0.004, "origin": [ -20.996, -46.189, -40.093 ], "x_axis": [ -0.962, 0.119, 0.245 ], "y_axis": [ -0.253, -0.723, -0.643 ], "z_axis": [ 0.100, -0.681, 0.726 ], "quaternion": [ 0.100, 0.093, -0.358, 0.923 ] } }, { "index": 18, "index_chain": 1, "chain_name": "H", "nt_resnum": 861, "nt_name": "DG", "nt_code": "G", "nt_id": "///H/861", "linked_nts": [ null, "///H/862" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix-end,stem-end", "alpha": null, "beta": 167.189, "gamma": 18.134, "delta": 154.387, "epsilon": 171.765, "zeta": -86.825, "epsilon_zeta": -101.409, "bb_type": "BI", "chi": -109.704, "glyco_bond": "anti", "C5prime_xyz": [ -1.348, 8.109, -1.494 ], "P_xyz": [ 0.969, 8.822, -0.448 ], "form": "B", "ssZp": 1.915, "Dp": 1.923, "splay_angle": 19.835, "splay_distance": 3.327, "splay_ratio": 0.174, "d22": null, "d64": null, "eta": null, "theta": -103.067, "eta_prime": null, "theta_prime": -135.582, "eta_base": null, "theta_base": -110.816, "v0": -3.898, "v1": 24.543, "v2": -34.428, "v3": 33.257, "v4": -18.552, "amplitude": 35.255, "phase_angle": 192.437, "puckering": "C3'-exo", "sugar_class": "~C2'-endo", "bin": "inc", "cluster": "__", "suiteness": 0.000, "filter_rmsd": 0.004, "frame": { "rmsd": 0.004, "origin": [ -20.726, -44.355, -42.425 ], "x_axis": [ -0.658, 0.494, 0.568 ], "y_axis": [ 0.752, 0.392, 0.530 ], "z_axis": [ 0.039, 0.776, -0.629 ], "quaternion": [ -0.162, 0.380, 0.818, 0.399 ] } }, { "index": 19, "index_chain": 2, "chain_name": "H", "nt_resnum": 862, "nt_name": "DG", "nt_code": "G", "nt_id": "///H/862", "linked_nts": [ "///H/861", "///H/863" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": 156.498, "beta": 141.080, "gamma": -175.314, "delta": 156.082, "epsilon": -170.134, "zeta": -81.841, "epsilon_zeta": -88.293, "bb_type": "BI", "chi": -122.853, "glyco_bond": "anti", "C5prime_xyz": [ -1.033, 8.151, -0.719 ], "P_xyz": [ 0.332, 9.476, -2.461 ], "form": "B", "ssZp": 1.936, "Dp": 1.910, "splay_angle": 17.991, "splay_distance": 3.130, "splay_ratio": 0.158, "d22": null, "d64": null, "eta": 174.776, "theta": -163.138, "eta_prime": -173.044, "theta_prime": -156.730, "eta_base": -137.644, "theta_base": -118.462, "v0": 3.416, "v1": 18.069, "v2": -31.376, "v3": 34.310, "v4": -23.999, "amplitude": 34.434, "phase_angle": 204.326, "puckering": "C3'-exo", "sugar_class": "~C2'-endo", "bin": "22t", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.005, "frame": { "rmsd": 0.005, "origin": [ -21.111, -41.961, -44.703 ], "x_axis": [ -0.129, 0.491, 0.861 ], "y_axis": [ 0.987, 0.151, 0.062 ], "z_axis": [ -0.099, 0.858, -0.504 ], "quaternion": [ -0.360, 0.553, 0.668, 0.344 ] } }, { "index": 20, "index_chain": 3, "chain_name": "H", "nt_resnum": 863, "nt_name": "DT", "nt_code": "T", "nt_id": "///H/863", "linked_nts": [ "///H/862", "///H/864" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -62.518, "beta": 179.660, "gamma": 37.092, "delta": 129.520, "epsilon": -175.626, "zeta": -117.554, "epsilon_zeta": -58.072, "bb_type": "BI", "chi": -97.823, "glyco_bond": "anti", "C5prime_xyz": [ -3.033, 7.925, -2.312 ], "P_xyz": [ -1.155, 9.694, -2.700 ], "form": "B", "ssZp": 2.298, "Dp": 2.387, "splay_angle": 21.251, "splay_distance": 3.540, "splay_ratio": 0.184, "d22": 4.271, "d64": 3.460, "eta": 155.714, "theta": -162.330, "eta_prime": -168.496, "theta_prime": -167.066, "eta_base": -125.811, "theta_base": -123.456, "v0": -33.705, "v1": 38.539, "v2": -28.642, "v3": 10.355, "v4": 14.148, "amplitude": 37.825, "phase_angle": 139.219, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.105, "frame": { "rmsd": 0.006, "origin": [ -21.726, -39.071, -45.735 ], "x_axis": [ 0.371, 0.561, 0.740 ], "y_axis": [ 0.886, 0.024, -0.463 ], "z_axis": [ -0.278, 0.827, -0.488 ], "quaternion": [ -0.476, 0.677, 0.534, 0.171 ] } }, { "index": 21, "index_chain": 4, "chain_name": "H", "nt_resnum": 864, "nt_name": "DC", "nt_code": "C", "nt_id": "///H/864", "linked_nts": [ "///H/863", "///H/865" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -46.002, "beta": 170.320, "gamma": 43.940, "delta": 138.516, "epsilon": -171.976, "zeta": -107.412, "epsilon_zeta": -64.564, "bb_type": "BI", "chi": -105.926, "glyco_bond": "anti", "C5prime_xyz": [ -2.199, 8.309, -1.994 ], "P_xyz": [ 0.184, 9.383, -1.916 ], "form": "B", "ssZp": 2.076, "Dp": 2.196, "splay_angle": 21.223, "splay_distance": 3.608, "splay_ratio": 0.185, "d22": 4.074, "d64": 3.562, "eta": 171.152, "theta": -138.876, "eta_prime": -167.552, "theta_prime": -153.241, "eta_base": -121.518, "theta_base": -111.963, "v0": -26.154, "v1": 36.668, "v2": -32.901, "v3": 18.650, "v4": 4.456, "amplitude": 36.498, "phase_angle": 154.348, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.063, "frame": { "rmsd": 0.004, "origin": [ -22.052, -35.770, -46.970 ], "x_axis": [ 0.873, 0.286, 0.396 ], "y_axis": [ 0.466, -0.245, -0.850 ], "z_axis": [ -0.147, 0.926, -0.347 ], "quaternion": [ 0.566, -0.785, -0.240, -0.079 ] } }, { "index": 22, "index_chain": 5, "chain_name": "H", "nt_resnum": 865, "nt_name": "DC", "nt_code": "C", "nt_id": "///H/865", "linked_nts": [ "///H/864", "///H/866" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -56.865, "beta": 173.763, "gamma": 45.783, "delta": 125.837, "epsilon": -162.845, "zeta": -92.445, "epsilon_zeta": -70.400, "bb_type": "BI", "chi": -115.983, "glyco_bond": "anti", "C5prime_xyz": [ -2.293, 8.514, -1.713 ], "P_xyz": [ -0.023, 9.764, -1.610 ], "form": "B", "ssZp": 2.265, "Dp": 2.349, "splay_angle": 21.196, "splay_distance": 3.720, "splay_ratio": 0.185, "d22": 3.931, "d64": 3.512, "eta": 171.373, "theta": -134.510, "eta_prime": -169.792, "theta_prime": -144.757, "eta_base": -122.090, "theta_base": -105.968, "v0": -28.438, "v1": 31.349, "v2": -22.526, "v3": 6.976, "v4": 13.335, "amplitude": 31.134, "phase_angle": 136.346, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.061, "frame": { "rmsd": 0.005, "origin": [ -21.801, -32.314, -47.977 ], "x_axis": [ 0.991, -0.051, -0.123 ], "y_axis": [ -0.133, -0.351, -0.927 ], "z_axis": [ 0.004, 0.935, -0.355 ], "quaternion": [ 0.567, -0.821, 0.056, 0.036 ] } }, { "index": 23, "index_chain": 6, "chain_name": "H", "nt_resnum": 866, "nt_name": "DT", "nt_code": "T", "nt_id": "///H/866", "linked_nts": [ "///H/865", "///H/867" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -69.587, "beta": 161.355, "gamma": 64.430, "delta": 102.219, "epsilon": -179.549, "zeta": -90.224, "epsilon_zeta": -89.325, "bb_type": "BI", "chi": -131.537, "glyco_bond": "anti", "C5prime_xyz": [ -2.798, 8.660, -1.447 ], "P_xyz": [ -0.618, 10.028, -1.934 ], "form": "B", "ssZp": 2.629, "Dp": 2.719, "splay_angle": 18.515, "splay_distance": 3.077, "splay_ratio": 0.161, "d22": null, "d64": null, "eta": 165.308, "theta": -164.180, "eta_prime": -170.304, "theta_prime": -166.627, "eta_base": -123.549, "theta_base": -130.536, "v0": -40.339, "v1": 27.573, "v2": -6.018, "v3": -16.679, "v4": 35.747, "amplitude": 39.560, "phase_angle": 98.749, "puckering": "O4'-endo", "sugar_class": "--", "bin": "23p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.105, "frame": { "rmsd": 0.007, "origin": [ -20.624, -29.182, -49.601 ], "x_axis": [ 0.742, -0.396, -0.540 ], "y_axis": [ -0.648, -0.216, -0.731 ], "z_axis": [ 0.173, 0.892, -0.417 ], "quaternion": [ 0.526, -0.771, 0.339, 0.119 ] } }, { "index": 24, "index_chain": 7, "chain_name": "H", "nt_resnum": 867, "nt_name": "DA", "nt_code": "A", "nt_id": "///H/867", "linked_nts": [ "///H/866", "///H/868" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -55.624, "beta": -167.003, "gamma": 39.837, "delta": 128.570, "epsilon": 170.519, "zeta": -86.197, "epsilon_zeta": -103.284, "bb_type": "BI", "chi": -101.318, "glyco_bond": "anti", "C5prime_xyz": [ -1.971, 7.984, -2.232 ], "P_xyz": [ 0.268, 9.273, -2.084 ], "form": "B", "ssZp": 1.960, "Dp": 2.317, "splay_angle": 19.380, "splay_distance": 3.417, "splay_ratio": 0.170, "d22": null, "d64": null, "eta": 172.396, "theta": -145.088, "eta_prime": -168.194, "theta_prime": -156.394, "eta_base": -129.021, "theta_base": -129.468, "v0": -17.259, "v1": 22.624, "v2": -19.283, "v3": 9.920, "v4": 4.330, "amplitude": 22.271, "phase_angle": 149.978, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "32p", "cluster": "1b", "suiteness": 0.010, "filter_rmsd": 0.039, "frame": { "rmsd": 0.007, "origin": [ -19.857, -26.445, -50.781 ], "x_axis": [ 0.231, -0.474, -0.850 ], "y_axis": [ -0.910, 0.203, -0.361 ], "z_axis": [ 0.344, 0.857, -0.384 ], "quaternion": [ 0.512, -0.594, 0.582, 0.213 ] } }, { "index": 25, "index_chain": 8, "chain_name": "H", "nt_resnum": 868, "nt_name": "DG", "nt_code": "G", "nt_id": "///H/868", "linked_nts": [ "///H/867", "///H/869" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -56.758, "beta": 176.861, "gamma": 51.779, "delta": 119.775, "epsilon": -173.374, "zeta": -100.837, "epsilon_zeta": -72.536, "bb_type": "BI", "chi": -117.133, "glyco_bond": "anti", "C5prime_xyz": [ -2.804, 8.465, -1.766 ], "P_xyz": [ -0.795, 10.118, -1.723 ], "form": "B", "ssZp": 2.222, "Dp": 2.360, "splay_angle": 19.102, "splay_distance": 3.308, "splay_ratio": 0.168, "d22": null, "d64": null, "eta": 175.991, "theta": -154.920, "eta_prime": -163.428, "theta_prime": -161.609, "eta_base": -131.806, "theta_base": -125.722, "v0": -35.008, "v1": 34.357, "v2": -21.216, "v3": 2.068, "v4": 20.430, "amplitude": 35.533, "phase_angle": 126.660, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.007, "frame": { "rmsd": 0.007, "origin": [ -18.109, -23.775, -52.000 ], "x_axis": [ -0.179, -0.410, -0.894 ], "y_axis": [ -0.917, 0.399, 0.001 ], "z_axis": [ 0.356, 0.820, -0.448 ], "quaternion": [ 0.439, -0.466, 0.712, 0.288 ] } }, { "index": 26, "index_chain": 9, "chain_name": "H", "nt_resnum": 869, "nt_name": "DG", "nt_code": "G", "nt_id": "///H/869", "linked_nts": [ "///H/868", "///H/870" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -60.456, "beta": 176.431, "gamma": 42.760, "delta": 134.301, "epsilon": -161.471, "zeta": -142.652, "epsilon_zeta": -18.819, "bb_type": "--", "chi": -113.328, "glyco_bond": "anti", "C5prime_xyz": [ -2.594, 8.477, -1.664 ], "P_xyz": [ -0.485, 9.973, -1.546 ], "form": "B", "ssZp": 2.426, "Dp": 2.340, "splay_angle": 20.631, "splay_distance": 3.406, "splay_ratio": 0.179, "d22": null, "d64": null, "eta": 166.075, "theta": -163.915, "eta_prime": -174.456, "theta_prime": -168.439, "eta_base": -132.810, "theta_base": -129.727, "v0": -33.460, "v1": 40.775, "v2": -32.280, "v3": 13.909, "v4": 12.079, "amplitude": 39.943, "phase_angle": 143.916, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.010, "frame": { "rmsd": 0.010, "origin": [ -16.479, -21.489, -53.749 ], "x_axis": [ -0.671, -0.194, -0.715 ], "y_axis": [ -0.660, 0.596, 0.458 ], "z_axis": [ 0.338, 0.779, -0.528 ], "quaternion": [ 0.315, -0.255, 0.836, 0.370 ] } }, { "index": 27, "index_chain": 10, "chain_name": "H", "nt_resnum": 870, "nt_name": "DA", "nt_code": "A", "nt_id": "///H/870", "linked_nts": [ "///H/869", "///H/871" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -29.701, "beta": 150.903, "gamma": 33.667, "delta": 132.121, "epsilon": -173.575, "zeta": -87.756, "epsilon_zeta": -85.819, "bb_type": "BI", "chi": -118.250, "glyco_bond": "anti", "C5prime_xyz": [ -2.146, 8.527, -1.506 ], "P_xyz": [ 0.272, 9.348, -1.053 ], "form": ".", "ssZp": 2.358, "Dp": 2.334, "splay_angle": 18.838, "splay_distance": 3.454, "splay_ratio": 0.171, "d22": null, "d64": null, "eta": 170.971, "theta": -123.640, "eta_prime": -169.831, "theta_prime": -143.128, "eta_base": -126.818, "theta_base": -100.544, "v0": -26.224, "v1": 32.289, "v2": -26.303, "v3": 12.005, "v4": 8.798, "amplitude": 31.856, "phase_angle": 145.659, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.038, "frame": { "rmsd": 0.009, "origin": [ -15.091, -18.934, -55.523 ], "x_axis": [ -0.935, 0.145, -0.324 ], "y_axis": [ -0.173, 0.611, 0.773 ], "z_axis": [ 0.310, 0.778, -0.546 ], "quaternion": [ 0.180, -0.008, 0.879, 0.441 ] } }, { "index": 28, "index_chain": 11, "chain_name": "H", "nt_resnum": 871, "nt_name": "DC", "nt_code": "C", "nt_id": "///H/871", "linked_nts": [ "///H/870", "///H/872" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -59.354, "beta": 170.828, "gamma": 47.575, "delta": 98.840, "epsilon": -178.978, "zeta": -90.889, "epsilon_zeta": -88.089, "bb_type": "BI", "chi": -134.803, "glyco_bond": "anti", "C5prime_xyz": [ -2.743, 8.781, -1.269 ], "P_xyz": [ -0.807, 10.469, -1.409 ], "form": ".", "ssZp": 2.981, "Dp": 2.976, "splay_angle": 20.976, "splay_distance": 3.650, "splay_ratio": 0.183, "d22": 4.369, "d64": 4.266, "eta": 168.307, "theta": -168.042, "eta_prime": -173.158, "theta_prime": -165.532, "eta_base": -118.327, "theta_base": -141.304, "v0": -40.583, "v1": 25.402, "v2": -2.240, "v3": -20.965, "v4": 39.100, "amplitude": 41.017, "phase_angle": 93.130, "puckering": "O4'-endo", "sugar_class": "--", "bin": "23p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.067, "frame": { "rmsd": 0.009, "origin": [ -15.534, -16.631, -58.059 ], "x_axis": [ -0.874, 0.449, 0.187 ], "y_axis": [ 0.409, 0.471, 0.781 ], "z_axis": [ 0.263, 0.759, -0.596 ], "quaternion": [ 0.022, 0.250, 0.857, 0.449 ] } }, { "index": 29, "index_chain": 12, "chain_name": "H", "nt_resnum": 872, "nt_name": "DC", "nt_code": "C", "nt_id": "///H/872", "linked_nts": [ "///H/871", "///H/873" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -48.923, "beta": 179.821, "gamma": 42.543, "delta": 135.756, "epsilon": -166.172, "zeta": -95.492, "epsilon_zeta": -70.680, "bb_type": "BI", "chi": -117.276, "glyco_bond": "anti", "C5prime_xyz": [ -2.403, 8.654, -1.558 ], "P_xyz": [ -0.337, 10.114, -1.051 ], "form": "B", "ssZp": 2.107, "Dp": 2.164, "splay_angle": 24.386, "splay_distance": 4.226, "splay_ratio": 0.213, "d22": 4.062, "d64": 3.681, "eta": 175.496, "theta": -132.667, "eta_prime": -163.046, "theta_prime": -142.739, "eta_base": -136.096, "theta_base": -104.380, "v0": -30.223, "v1": 38.443, "v2": -32.056, "v3": 15.428, "v4": 9.150, "amplitude": 37.927, "phase_angle": 147.692, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "32p", "cluster": "1b", "suiteness": 0.099, "filter_rmsd": 0.071, "frame": { "rmsd": 0.018, "origin": [ -14.994, -14.494, -60.968 ], "x_axis": [ -0.650, 0.485, 0.585 ], "y_axis": [ 0.749, 0.275, 0.603 ], "z_axis": [ 0.131, 0.830, -0.542 ], "quaternion": [ -0.145, 0.393, 0.785, 0.456 ] } }, { "index": 30, "index_chain": 13, "chain_name": "H", "nt_resnum": 873, "nt_name": "DC", "nt_code": "C", "nt_id": "///H/873", "linked_nts": [ "///H/872", null ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,canonical,non-pair-contact,helix,stem-end,phosphate", "alpha": -74.997, "beta": -179.760, "gamma": 49.472, "delta": 119.689, "epsilon": null, "zeta": null, "epsilon_zeta": null, "bb_type": "--", "chi": -123.572, "glyco_bond": "anti", "C5prime_xyz": [ -2.341, 8.606, -1.568 ], "P_xyz": [ -0.257, 10.111, -1.238 ], "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": -33.788, "v1": 32.232, "v2": -18.763, "v3": 0.006, "v4": 21.053, "amplitude": 33.946, "phase_angle": 123.553, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.065, "frame": { "rmsd": 0.014, "origin": [ -15.034, -10.564, -62.522 ], "x_axis": [ -0.124, 0.268, 0.955 ], "y_axis": [ 0.974, -0.151, 0.169 ], "z_axis": [ 0.189, 0.951, -0.243 ], "quaternion": [ -0.347, 0.563, 0.551, 0.508 ] } }, { "index": 31, "index_chain": 1, "chain_name": "B", "nt_resnum": 838, "nt_name": "DC", "nt_code": "C", "nt_id": "///B/838", "linked_nts": [ null, "///B/839" ], "nt_type": "DNA", "dbn": ".", "summary": "anti,~C2'-endo,non-stack,ss-non-loop", "alpha": null, "beta": -139.533, "gamma": 76.927, "delta": 148.484, "epsilon": -146.351, "zeta": 110.148, "epsilon_zeta": 103.501, "bb_type": "--", "chi": -80.132, "glyco_bond": "anti", "C5prime_xyz": [ -2.609, 7.543, -2.718 ], "P_xyz": [ -0.062, 8.143, -3.126 ], "form": ".", "ssZp": 1.566, "Dp": 2.016, "splay_angle": 57.435, "splay_distance": 9.294, "splay_ratio": 0.483, "d22": 7.156, "d64": 8.610, "eta": null, "theta": 136.113, "eta_prime": null, "theta_prime": 103.995, "eta_base": null, "theta_base": 130.535, "v0": -20.107, "v1": 36.411, "v2": -37.873, "v3": 27.067, "v4": -4.378, "amplitude": 38.740, "phase_angle": 167.860, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "inc", "cluster": "__", "suiteness": 0.000, "filter_rmsd": 0.065, "frame": { "rmsd": 0.009, "origin": [ -41.405, 8.226, -32.760 ], "x_axis": [ 0.071, 0.868, -0.491 ], "y_axis": [ 0.968, 0.058, 0.243 ], "z_axis": [ 0.239, -0.493, -0.836 ], "quaternion": [ 0.271, 0.680, 0.675, -0.093 ] } }, { "index": 32, "index_chain": 2, "chain_name": "B", "nt_resnum": 839, "nt_name": "DT", "nt_code": "T", "nt_id": "///B/839", "linked_nts": [ "///B/838", "///B/840" ], "nt_type": "DNA", "dbn": ".", "summary": "anti,~C3'-endo,BII,ss-non-loop,phosphate,splayed-apart", "alpha": 72.694, "beta": -126.578, "gamma": -168.002, "delta": 93.475, "epsilon": -135.945, "zeta": 164.779, "epsilon_zeta": 59.275, "bb_type": "BII", "chi": -178.491, "glyco_bond": "anti", "C5prime_xyz": [ -0.885, 7.837, 1.770 ], "P_xyz": [ 0.831, 9.074, 0.480 ], "form": ".", "ssZp": 4.707, "Dp": 4.733, "splay_angle": 122.675, "splay_distance": 14.961, "splay_ratio": 0.877, "d22": null, "d64": null, "eta": 169.222, "theta": 70.076, "eta_prime": 165.837, "theta_prime": 96.919, "eta_base": -169.196, "theta_base": 131.788, "v0": 19.685, "v1": -35.649, "v2": 37.648, "v3": -27.274, "v4": 4.788, "amplitude": 38.400, "phase_angle": 348.643, "puckering": "C2'-exo", "sugar_class": "~C3'-endo", "bin": "23t", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.105, "frame": { "rmsd": 0.006, "origin": [ -40.769, -0.078, -28.634 ], "x_axis": [ -0.059, 0.064, -0.996 ], "y_axis": [ 0.868, 0.495, -0.020 ], "z_axis": [ 0.492, -0.866, -0.085 ], "quaternion": [ 0.581, 0.364, 0.640, -0.346 ] } }, { "index": 33, "index_chain": 3, "chain_name": "B", "nt_resnum": 840, "nt_name": "DA", "nt_code": "A", "nt_id": "///B/840", "linked_nts": [ "///B/839", "///B/841" ], "nt_type": "DNA", "dbn": ".", "summary": "anti,~C2'-endo,BI,isolated-canonical,non-pair-contact,helix-end,phosphate,splayed-apart", "alpha": -60.459, "beta": -157.930, "gamma": 54.736, "delta": 149.564, "epsilon": -177.792, "zeta": -90.091, "epsilon_zeta": -87.701, "bb_type": "BI", "chi": -95.421, "glyco_bond": "anti", "C5prime_xyz": [ -1.595, 7.691, -2.211 ], "P_xyz": [ 0.913, 8.348, -1.608 ], "form": "B", "ssZp": 1.600, "Dp": 1.912, "splay_angle": 19.464, "splay_distance": 3.354, "splay_ratio": 0.169, "d22": null, "d64": null, "eta": -141.501, "theta": -114.746, "eta_prime": -144.054, "theta_prime": -133.440, "eta_base": 154.762, "theta_base": -101.703, "v0": -3.281, "v1": 22.065, "v2": -31.664, "v3": 30.529, "v4": -17.454, "amplitude": 32.507, "phase_angle": 193.078, "puckering": "C3'-exo", "sugar_class": "~C2'-endo", "bin": "32p", "cluster": "3b", "suiteness": 0.603, "filter_rmsd": 0.040, "frame": { "rmsd": 0.008, "origin": [ -30.939, -2.693, -17.663 ], "x_axis": [ -0.993, 0.019, 0.119 ], "y_axis": [ -0.119, -0.023, -0.993 ], "z_axis": [ -0.016, -1.000, 0.025 ], "quaternion": [ 0.048, 0.036, -0.697, 0.714 ] } }, { "index": 34, "index_chain": 4, "chain_name": "B", "nt_resnum": 841, "nt_name": "DG", "nt_code": "G", "nt_id": "///B/841", "linked_nts": [ "///B/840", "///B/842" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,canonical,non-pair-contact,helix,stem-end,phosphate", "alpha": -68.201, "beta": 173.771, "gamma": 51.147, "delta": 132.008, "epsilon": -141.755, "zeta": -132.464, "epsilon_zeta": -9.291, "bb_type": "--", "chi": -100.098, "glyco_bond": "anti", "C5prime_xyz": [ -3.251, 8.014, -2.129 ], "P_xyz": [ -1.186, 9.558, -2.671 ], "form": ".", "ssZp": 2.142, "Dp": 2.193, "splay_angle": 19.851, "splay_distance": 3.675, "splay_ratio": 0.178, "d22": null, "d64": null, "eta": 165.948, "theta": -134.366, "eta_prime": -167.009, "theta_prime": -165.908, "eta_base": -128.815, "theta_base": -127.040, "v0": -36.997, "v1": 42.604, "v2": -31.285, "v3": 11.171, "v4": 15.646, "amplitude": 41.534, "phase_angle": 138.873, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.009, "frame": { "rmsd": 0.009, "origin": [ -31.891, -5.904, -17.838 ], "x_axis": [ -0.918, 0.179, -0.353 ], "y_axis": [ 0.338, -0.112, -0.935 ], "z_axis": [ -0.207, -0.978, 0.042 ], "quaternion": [ -0.055, -0.194, -0.664, 0.720 ] } }, { "index": 35, "index_chain": 5, "chain_name": "B", "nt_resnum": 842, "nt_name": "DG", "nt_code": "G", "nt_id": "///B/842", "linked_nts": [ "///B/841", "///B/843" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C3'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": 63.176, "beta": -115.373, "gamma": -130.934, "delta": 88.702, "epsilon": -135.450, "zeta": -81.886, "epsilon_zeta": -53.564, "bb_type": "BI", "chi": -167.861, "glyco_bond": "anti", "C5prime_xyz": [ -1.845, 8.819, 0.863 ], "P_xyz": [ -1.617, 10.634, -0.930 ], "form": ".", "ssZp": 3.937, "Dp": 4.109, "splay_angle": 20.191, "splay_distance": 3.753, "splay_ratio": 0.184, "d22": null, "d64": null, "eta": -176.599, "theta": -162.828, "eta_prime": 172.051, "theta_prime": -159.793, "eta_base": -140.992, "theta_base": -123.088, "v0": -10.102, "v1": -10.311, "v2": 25.417, "v3": -32.285, "v4": 26.974, "amplitude": 31.846, "phase_angle": 37.048, "puckering": "C4'-exo", "sugar_class": "~C3'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.008, "frame": { "rmsd": 0.008, "origin": [ -33.762, -9.055, -17.566 ], "x_axis": [ -0.643, 0.182, -0.744 ], "y_axis": [ 0.733, -0.133, -0.667 ], "z_axis": [ -0.220, -0.974, -0.048 ], "quaternion": [ -0.210, -0.367, -0.624, 0.657 ] } }, { "index": 36, "index_chain": 6, "chain_name": "B", "nt_resnum": 843, "nt_name": "DG", "nt_code": "G", "nt_id": "///B/843", "linked_nts": [ "///B/842", "///B/844" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C3'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": 110.363, "beta": -147.450, "gamma": -156.515, "delta": 86.462, "epsilon": -161.244, "zeta": -70.269, "epsilon_zeta": -90.975, "bb_type": "BI", "chi": -171.563, "glyco_bond": "anti", "C5prime_xyz": [ -1.790, 8.719, 1.121 ], "P_xyz": [ -0.923, 10.730, -0.302 ], "form": "A", "ssZp": 4.336, "Dp": 4.321, "splay_angle": 21.825, "splay_distance": 3.543, "splay_ratio": 0.192, "d22": null, "d64": null, "eta": 160.389, "theta": 172.055, "eta_prime": 178.462, "theta_prime": -174.956, "eta_base": -130.532, "theta_base": -144.352, "v0": -3.750, "v1": -18.046, "v2": 31.447, "v3": -34.576, "v4": 24.494, "amplitude": 34.649, "phase_angle": 24.826, "puckering": "C3'-endo", "sugar_class": "~C3'-endo", "bin": "33t", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.008, "frame": { "rmsd": 0.008, "origin": [ -36.471, -11.489, -18.472 ], "x_axis": [ -0.131, 0.193, -0.972 ], "y_axis": [ 0.933, -0.308, -0.187 ], "z_axis": [ -0.336, -0.931, -0.140 ], "quaternion": [ 0.324, 0.574, 0.491, -0.570 ] } }, { "index": 37, "index_chain": 7, "chain_name": "B", "nt_resnum": 844, "nt_name": "DT", "nt_code": "T", "nt_id": "///B/844", "linked_nts": [ "///B/843", "///B/845" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C3'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -71.729, "beta": -178.963, "gamma": 58.146, "delta": 94.036, "epsilon": -164.530, "zeta": -68.724, "epsilon_zeta": -95.806, "bb_type": "BI", "chi": -148.895, "glyco_bond": "anti", "C5prime_xyz": [ -1.732, 8.855, -0.158 ], "P_xyz": [ 0.797, 9.488, 0.263 ], "form": ".", "ssZp": 3.664, "Dp": 3.970, "splay_angle": 18.532, "splay_distance": 3.160, "splay_ratio": 0.163, "d22": 4.116, "d64": 3.980, "eta": 173.728, "theta": -138.467, "eta_prime": -169.134, "theta_prime": -137.248, "eta_base": -133.443, "theta_base": -108.127, "v0": -6.169, "v1": -12.119, "v2": 24.593, "v3": -28.684, "v4": 22.062, "amplitude": 28.578, "phase_angle": 30.618, "puckering": "C3'-endo", "sugar_class": "~C3'-endo", "bin": "33p", "cluster": "1a", "suiteness": 0.505, "filter_rmsd": 0.106, "frame": { "rmsd": 0.006, "origin": [ -39.115, -13.803, -18.929 ], "x_axis": [ 0.389, -0.043, -0.920 ], "y_axis": [ 0.813, -0.454, 0.365 ], "z_axis": [ -0.434, -0.890, -0.141 ], "quaternion": [ 0.445, 0.704, 0.273, -0.481 ] } }, { "index": 38, "index_chain": 8, "chain_name": "B", "nt_resnum": 845, "nt_name": "DC", "nt_code": "C", "nt_id": "///B/845", "linked_nts": [ "///B/844", "///B/846" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -64.962, "beta": 168.855, "gamma": 65.562, "delta": 121.974, "epsilon": -166.724, "zeta": -101.134, "epsilon_zeta": -65.590, "bb_type": "BI", "chi": -132.627, "glyco_bond": "anti", "C5prime_xyz": [ -2.407, 8.866, -0.976 ], "P_xyz": [ 0.009, 9.892, -0.975 ], "form": "B", "ssZp": 2.787, "Dp": 2.628, "splay_angle": 18.645, "splay_distance": 3.232, "splay_ratio": 0.164, "d22": 4.130, "d64": 3.767, "eta": 172.035, "theta": -142.607, "eta_prime": -155.957, "theta_prime": -153.886, "eta_base": -115.720, "theta_base": -114.656, "v0": -35.745, "v1": 35.343, "v2": -21.817, "v3": 2.089, "v4": 21.136, "amplitude": 36.520, "phase_angle": 126.685, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "32p", "cluster": "1b", "suiteness": 0.048, "filter_rmsd": 0.063, "frame": { "rmsd": 0.008, "origin": [ -40.528, -16.098, -20.579 ], "x_axis": [ 0.771, -0.234, -0.592 ], "y_axis": [ 0.416, -0.518, 0.747 ], "z_axis": [ -0.482, -0.822, -0.302 ], "quaternion": [ 0.487, 0.805, 0.056, -0.334 ] } }, { "index": 39, "index_chain": 9, "chain_name": "B", "nt_resnum": 846, "nt_name": "DC", "nt_code": "C", "nt_id": "///B/846", "linked_nts": [ "///B/845", "///B/847" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -56.351, "beta": 169.128, "gamma": 47.869, "delta": 121.452, "epsilon": -174.951, "zeta": -101.094, "epsilon_zeta": -73.857, "bb_type": "BI", "chi": -126.619, "glyco_bond": "anti", "C5prime_xyz": [ -2.313, 8.759, -1.302 ], "P_xyz": [ -0.067, 10.055, -1.050 ], "form": "B", "ssZp": 2.528, "Dp": 2.523, "splay_angle": 19.045, "splay_distance": 3.217, "splay_ratio": 0.166, "d22": 4.518, "d64": 3.994, "eta": 166.847, "theta": -152.076, "eta_prime": -170.101, "theta_prime": -156.556, "eta_base": -120.917, "theta_base": -127.437, "v0": -32.759, "v1": 32.976, "v2": -20.856, "v3": 2.740, "v4": 18.746, "amplitude": 33.769, "phase_angle": 128.141, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.064, "frame": { "rmsd": 0.004, "origin": [ -41.648, -18.511, -22.415 ], "x_axis": [ 0.896, -0.444, -0.020 ], "y_axis": [ -0.150, -0.343, 0.927 ], "z_axis": [ -0.418, -0.828, -0.374 ], "quaternion": [ 0.543, 0.808, -0.183, -0.135 ] } }, { "index": 40, "index_chain": 10, "chain_name": "B", "nt_resnum": 847, "nt_name": "DT", "nt_code": "T", "nt_id": "///B/847", "linked_nts": [ "///B/846", "///B/848" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -47.563, "beta": -175.074, "gamma": 33.978, "delta": 145.643, "epsilon": -156.309, "zeta": -154.072, "epsilon_zeta": -2.237, "bb_type": "--", "chi": -100.393, "glyco_bond": "anti", "C5prime_xyz": [ -2.362, 8.124, -2.048 ], "P_xyz": [ -0.283, 9.657, -1.733 ], "form": "B", "ssZp": 1.899, "Dp": 1.960, "splay_angle": 20.278, "splay_distance": 3.397, "splay_ratio": 0.177, "d22": null, "d64": null, "eta": 174.861, "theta": -154.714, "eta_prime": -163.917, "theta_prime": -160.364, "eta_base": -130.763, "theta_base": -113.774, "v0": -21.661, "v1": 36.501, "v2": -36.619, "v3": 25.214, "v4": -2.502, "amplitude": 37.931, "phase_angle": 164.883, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.104, "frame": { "rmsd": 0.010, "origin": [ -42.893, -20.857, -24.230 ], "x_axis": [ 0.708, -0.541, 0.454 ], "y_axis": [ -0.621, -0.170, 0.765 ], "z_axis": [ -0.337, -0.823, -0.457 ], "quaternion": [ 0.520, 0.764, -0.380, 0.038 ] } }, { "index": 41, "index_chain": 11, "chain_name": "B", "nt_resnum": 848, "nt_name": "DA", "nt_code": "A", "nt_id": "///B/848", "linked_nts": [ "///B/847", "///B/849" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,canonical,non-pair-contact,helix,stem", "alpha": -11.720, "beta": 132.039, "gamma": 25.469, "delta": 134.855, "epsilon": -162.465, "zeta": -150.815, "epsilon_zeta": -11.650, "bb_type": "--", "chi": -104.660, "glyco_bond": "anti", "C5prime_xyz": [ -2.621, 8.243, -2.033 ], "P_xyz": [ -0.239, 9.216, -1.755 ], "form": "B", "ssZp": 2.104, "Dp": 2.166, "splay_angle": 19.962, "splay_distance": 3.330, "splay_ratio": 0.174, "d22": null, "d64": null, "eta": 170.888, "theta": -140.709, "eta_prime": -165.409, "theta_prime": -149.645, "eta_base": -115.953, "theta_base": -122.984, "v0": -28.787, "v1": 37.607, "v2": -31.904, "v3": 16.200, "v4": 7.561, "amplitude": 37.013, "phase_angle": 149.536, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.037, "frame": { "rmsd": 0.008, "origin": [ -44.212, -23.819, -25.241 ], "x_axis": [ 0.209, -0.545, 0.812 ], "y_axis": [ -0.928, 0.150, 0.340 ], "z_axis": [ -0.308, -0.825, -0.475 ], "quaternion": [ 0.470, 0.619, -0.595, 0.203 ] } }, { "index": 42, "index_chain": 12, "chain_name": "B", "nt_resnum": 849, "nt_name": "DG", "nt_code": "G", "nt_id": "///B/849", "linked_nts": [ "///B/848", "///B/850" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,canonical,non-pair-contact,helix,stem", "alpha": 23.320, "beta": 134.122, "gamma": -11.276, "delta": 164.183, "epsilon": -142.372, "zeta": -158.856, "epsilon_zeta": 16.485, "bb_type": "--", "chi": -79.558, "glyco_bond": "anti", "C5prime_xyz": [ -2.669, 7.466, -2.578 ], "P_xyz": [ -0.707, 9.173, -2.288 ], "form": "B", "ssZp": 1.519, "Dp": 1.535, "splay_angle": 18.670, "splay_distance": 3.129, "splay_ratio": 0.162, "d22": null, "d64": null, "eta": 169.242, "theta": -146.698, "eta_prime": -166.320, "theta_prime": -160.454, "eta_base": -136.422, "theta_base": -108.195, "v0": -18.819, "v1": 41.666, "v2": -47.289, "v3": 37.866, "v4": -12.099, "amplitude": 47.412, "phase_angle": 175.865, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.006, "frame": { "rmsd": 0.006, "origin": [ -45.320, -26.567, -26.762 ], "x_axis": [ -0.176, -0.204, 0.963 ], "y_axis": [ -0.946, 0.306, -0.108 ], "z_axis": [ -0.273, -0.930, -0.247 ], "quaternion": [ -0.470, -0.437, 0.657, -0.395 ] } }, { "index": 43, "index_chain": 13, "chain_name": "B", "nt_resnum": 850, "nt_name": "DG", "nt_code": "G", "nt_id": "///B/850", "linked_nts": [ "///B/849", "///B/851" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,canonical,non-pair-contact,helix,stem", "alpha": -42.479, "beta": 135.661, "gamma": 40.690, "delta": 139.986, "epsilon": -147.120, "zeta": -164.062, "epsilon_zeta": 16.942, "bb_type": "--", "chi": -99.723, "glyco_bond": "anti", "C5prime_xyz": [ -3.256, 8.126, -2.095 ], "P_xyz": [ -0.941, 9.274, -2.481 ], "form": "B", "ssZp": 2.103, "Dp": 2.102, "splay_angle": 20.536, "splay_distance": 3.359, "splay_ratio": 0.179, "d22": null, "d64": null, "eta": 169.034, "theta": -165.253, "eta_prime": -165.632, "theta_prime": -179.245, "eta_base": -112.816, "theta_base": -135.036, "v0": -36.355, "v1": 47.071, "v2": -39.348, "v3": 19.754, "v4": 9.954, "amplitude": 46.050, "phase_angle": 148.702, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "4b", "suiteness": 0.010, "filter_rmsd": 0.010, "frame": { "rmsd": 0.010, "origin": [ -46.818, -29.314, -26.846 ], "x_axis": [ -0.690, 0.032, 0.723 ], "y_axis": [ -0.691, 0.267, -0.671 ], "z_axis": [ -0.215, -0.963, -0.162 ], "quaternion": [ -0.322, -0.226, 0.728, -0.562 ] } }, { "index": 44, "index_chain": 14, "chain_name": "B", "nt_resnum": 851, "nt_name": "DA", "nt_code": "A", "nt_id": "///B/851", "linked_nts": [ "///B/850", "///B/852" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -39.501, "beta": 145.204, "gamma": 40.154, "delta": 131.954, "epsilon": -175.613, "zeta": -98.328, "epsilon_zeta": -77.285, "bb_type": "BI", "chi": -111.970, "glyco_bond": "anti", "C5prime_xyz": [ -2.219, 8.379, -1.792 ], "P_xyz": [ 0.255, 9.099, -1.540 ], "form": "B", "ssZp": 2.045, "Dp": 2.187, "splay_angle": 20.118, "splay_distance": 3.531, "splay_ratio": 0.178, "d22": null, "d64": null, "eta": 172.203, "theta": -127.956, "eta_prime": -169.057, "theta_prime": -147.229, "eta_base": -124.000, "theta_base": -100.064, "v0": -25.857, "v1": 33.114, "v2": -27.878, "v3": 13.872, "v4": 7.255, "amplitude": 32.658, "phase_angle": 148.608, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "4b", "suiteness": 0.031, "filter_rmsd": 0.037, "frame": { "rmsd": 0.007, "origin": [ -47.319, -32.552, -27.582 ], "x_axis": [ -0.971, 0.174, 0.165 ], "y_axis": [ -0.137, 0.161, -0.977 ], "z_axis": [ -0.197, -0.971, -0.133 ], "quaternion": [ -0.120, 0.012, 0.752, -0.647 ] } }, { "index": 45, "index_chain": 15, "chain_name": "B", "nt_resnum": 852, "nt_name": "DC", "nt_code": "C", "nt_id": "///B/852", "linked_nts": [ "///B/851", "///B/853" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -39.944, "beta": 168.296, "gamma": 35.951, "delta": 132.705, "epsilon": -160.509, "zeta": -122.363, "epsilon_zeta": -38.146, "bb_type": "BI", "chi": -112.515, "glyco_bond": "anti", "C5prime_xyz": [ -2.688, 8.423, -1.842 ], "P_xyz": [ -0.709, 10.103, -1.659 ], "form": "B", "ssZp": 2.128, "Dp": 2.207, "splay_angle": 21.211, "splay_distance": 3.616, "splay_ratio": 0.185, "d22": 3.952, "d64": 3.259, "eta": 172.954, "theta": -141.638, "eta_prime": -160.958, "theta_prime": -147.419, "eta_base": -106.202, "theta_base": -87.294, "v0": -35.886, "v1": 42.486, "v2": -32.677, "v3": 13.189, "v4": 13.879, "amplitude": 41.565, "phase_angle": 141.828, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.062, "frame": { "rmsd": 0.004, "origin": [ -49.331, -35.445, -27.811 ], "x_axis": [ -0.851, 0.256, -0.459 ], "y_axis": [ 0.470, -0.020, -0.882 ], "z_axis": [ -0.235, -0.966, -0.103 ], "quaternion": [ 0.080, 0.261, 0.695, -0.665 ] } }, { "index": 46, "index_chain": 16, "chain_name": "B", "nt_resnum": 853, "nt_name": "DC", "nt_code": "C", "nt_id": "///B/853", "linked_nts": [ "///B/852", "///B/854" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,canonical,non-pair-contact,helix,stem", "alpha": -17.865, "beta": 152.195, "gamma": 14.253, "delta": 127.826, "epsilon": -148.803, "zeta": -148.907, "epsilon_zeta": 0.104, "bb_type": "--", "chi": -98.105, "glyco_bond": "anti", "C5prime_xyz": [ -2.687, 8.108, -2.337 ], "P_xyz": [ -0.523, 9.613, -2.507 ], "form": ".", "ssZp": 1.929, "Dp": 2.314, "splay_angle": 17.680, "splay_distance": 3.167, "splay_ratio": 0.160, "d22": 4.484, "d64": 3.545, "eta": 171.664, "theta": -166.004, "eta_prime": -167.192, "theta_prime": -168.948, "eta_base": -102.588, "theta_base": -155.065, "v0": -27.309, "v1": 32.630, "v2": -25.399, "v3": 10.343, "v4": 10.494, "amplitude": 32.036, "phase_angle": 142.450, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.064, "frame": { "rmsd": 0.006, "origin": [ -51.166, -37.794, -29.857 ], "x_axis": [ -0.253, 0.238, -0.938 ], "y_axis": [ 0.876, -0.355, -0.327 ], "z_axis": [ -0.411, -0.904, -0.119 ], "quaternion": [ -0.261, -0.552, -0.504, 0.610 ] } }, { "index": 47, "index_chain": 17, "chain_name": "B", "nt_resnum": 854, "nt_name": "DC", "nt_code": "C", "nt_id": "///B/854", "linked_nts": [ "///B/853", null ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,canonical,non-pair-contact,helix-end,stem-end", "alpha": -29.111, "beta": 134.920, "gamma": 29.389, "delta": 128.819, "epsilon": null, "zeta": null, "epsilon_zeta": null, "bb_type": "--", "chi": -101.230, "glyco_bond": "anti", "C5prime_xyz": [ -2.793, 8.202, -2.219 ], "P_xyz": [ -0.369, 9.144, -2.512 ], "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": -32.431, "v1": 37.430, "v2": -28.130, "v3": 10.238, "v4": 13.725, "amplitude": 36.868, "phase_angle": 139.728, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.064, "frame": { "rmsd": 0.003, "origin": [ -51.849, -40.794, -29.104 ], "x_axis": [ 0.103, 0.224, -0.969 ], "y_axis": [ 0.835, -0.548, -0.038 ], "z_axis": [ -0.540, -0.806, -0.243 ], "quaternion": [ 0.279, 0.688, 0.385, -0.548 ] } }, { "index": 48, "index_chain": 1, "chain_name": "C", "nt_resnum": 858, "nt_name": "DT", "nt_code": "T", "nt_id": "///C/858", "linked_nts": [ null, "///C/859" ], "nt_type": "DNA", "dbn": ".", "summary": "anti,~C2'-endo,non-stack,ss-non-loop,splayed-apart", "alpha": null, "beta": 93.305, "gamma": -135.887, "delta": 161.110, "epsilon": -163.439, "zeta": 33.868, "epsilon_zeta": 162.694, "bb_type": "--", "chi": -125.497, "glyco_bond": "anti", "C5prime_xyz": [ -1.280, 8.362, -0.496 ], "P_xyz": [ -1.491, 10.856, -1.258 ], "form": ".", "ssZp": 1.381, "Dp": 1.535, "splay_angle": 154.814, "splay_distance": 17.321, "splay_ratio": 0.976, "d22": null, "d64": null, "eta": null, "theta": -64.982, "eta_prime": null, "theta_prime": -124.182, "eta_base": null, "theta_base": 151.460, "v0": -3.717, "v1": 27.492, "v2": -39.479, "v3": 38.250, "v4": -21.949, "amplitude": 40.587, "phase_angle": 193.420, "puckering": "C3'-exo", "sugar_class": "~C2'-endo", "bin": "inc", "cluster": "__", "suiteness": 0.000, "filter_rmsd": 0.105, "frame": { "rmsd": 0.007, "origin": [ -60.405, -38.900, -41.899 ], "x_axis": [ -0.893, -0.075, -0.443 ], "y_axis": [ -0.223, -0.782, 0.582 ], "z_axis": [ -0.391, 0.619, 0.681 ], "quaternion": [ 0.040, -0.228, 0.328, 0.916 ] } }, { "index": 49, "index_chain": 2, "chain_name": "C", "nt_resnum": 859, "nt_name": "DA", "nt_code": "A", "nt_id": "///C/859", "linked_nts": [ "///C/858", "///C/860" ], "nt_type": "DNA", "dbn": ".", "summary": "~C2'-endo,BII,non-pair-contact,ss-non-loop,splayed-apart", "alpha": -106.752, "beta": -99.780, "gamma": 116.436, "delta": 145.150, "epsilon": -129.119, "zeta": -176.203, "epsilon_zeta": 47.084, "bb_type": "BII", "chi": -88.468, "glyco_bond": "--", "C5prime_xyz": [ -2.876, 7.780, -2.544 ], "P_xyz": [ -0.283, 7.678, -2.695 ], "form": ".", "ssZp": 1.382, "Dp": 1.520, "splay_angle": 23.759, "splay_distance": 4.138, "splay_ratio": 0.232, "d22": null, "d64": null, "eta": -105.025, "theta": -152.789, "eta_prime": 12.765, "theta_prime": -179.948, "eta_base": 90.588, "theta_base": -111.135, "v0": -29.785, "v1": 43.919, "v2": -40.525, "v3": 24.499, "v4": 3.069, "amplitude": 43.940, "phase_angle": 157.260, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.036, "frame": { "rmsd": 0.005, "origin": [ -51.877, -45.085, -28.150 ], "x_axis": [ 0.717, -0.195, -0.669 ], "y_axis": [ -0.509, 0.509, -0.694 ], "z_axis": [ 0.476, 0.839, 0.266 ], "quaternion": [ 0.789, -0.485, 0.363, 0.100 ] } }, { "index": 50, "index_chain": 3, "chain_name": "C", "nt_resnum": 860, "nt_name": "DG", "nt_code": "G", "nt_id": "///C/860", "linked_nts": [ "///C/859", "///C/861" ], "nt_type": "DNA", "dbn": ")", "summary": "~C2'-endo,BI,canonical,non-pair-contact,helix-end,stem-end", "alpha": -55.065, "beta": 145.365, "gamma": 49.927, "delta": 147.608, "epsilon": -175.698, "zeta": -107.087, "epsilon_zeta": -68.611, "bb_type": "BI", "chi": -88.427, "glyco_bond": "--", "C5prime_xyz": [ -1.857, 7.613, -2.547 ], "P_xyz": [ 0.725, 7.502, -2.541 ], "form": "B", "ssZp": 1.300, "Dp": 1.724, "splay_angle": 18.000, "splay_distance": 3.070, "splay_ratio": 0.156, "d22": null, "d64": null, "eta": 167.187, "theta": -118.368, "eta_prime": -158.111, "theta_prime": -154.393, "eta_base": -96.946, "theta_base": -113.870, "v0": -10.377, "v1": 27.920, "v2": -34.347, "v3": 29.099, "v4": -12.082, "amplitude": 34.360, "phase_angle": 181.563, "puckering": "C3'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "4b", "suiteness": 0.485, "filter_rmsd": 0.008, "frame": { "rmsd": 0.008, "origin": [ -51.760, -40.982, -28.675 ], "x_axis": [ 0.120, 0.341, -0.933 ], "y_axis": [ -0.845, 0.529, 0.084 ], "z_axis": [ 0.522, 0.777, 0.351 ], "quaternion": [ 0.707, -0.245, 0.514, 0.419 ] } }, { "index": 51, "index_chain": 4, "chain_name": "C", "nt_resnum": 861, "nt_name": "DG", "nt_code": "G", "nt_id": "///C/861", "linked_nts": [ "///C/860", "///C/862" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -49.141, "beta": 168.667, "gamma": 41.301, "delta": 131.003, "epsilon": -171.176, "zeta": -131.813, "epsilon_zeta": -39.364, "bb_type": "BI", "chi": -96.504, "glyco_bond": "anti", "C5prime_xyz": [ -2.941, 7.910, -2.421 ], "P_xyz": [ -0.878, 9.344, -2.974 ], "form": "B", "ssZp": 2.053, "Dp": 2.215, "splay_angle": 20.064, "splay_distance": 3.404, "splay_ratio": 0.174, "d22": null, "d64": null, "eta": 167.768, "theta": -161.871, "eta_prime": -167.949, "theta_prime": -172.109, "eta_base": -123.917, "theta_base": -131.174, "v0": -32.960, "v1": 38.377, "v2": -29.316, "v3": 11.350, "v4": 13.230, "amplitude": 37.754, "phase_angle": 140.941, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.004, "frame": { "rmsd": 0.004, "origin": [ -50.420, -38.283, -28.091 ], "x_axis": [ -0.328, 0.551, -0.767 ], "y_axis": [ -0.715, 0.386, 0.583 ], "z_axis": [ 0.617, 0.740, 0.267 ], "quaternion": [ 0.575, -0.068, 0.602, 0.550 ] } }, { "index": 52, "index_chain": 5, "chain_name": "C", "nt_resnum": 862, "nt_name": "DG", "nt_code": "G", "nt_id": "///C/862", "linked_nts": [ "///C/861", "///C/863" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -31.688, "beta": 149.087, "gamma": 40.551, "delta": 131.968, "epsilon": -176.393, "zeta": -102.227, "epsilon_zeta": -74.166, "bb_type": "BI", "chi": -116.853, "glyco_bond": "anti", "C5prime_xyz": [ -2.736, 8.494, -1.612 ], "P_xyz": [ -0.472, 9.713, -1.371 ], "form": ".", "ssZp": 2.294, "Dp": 2.367, "splay_angle": 18.102, "splay_distance": 3.149, "splay_ratio": 0.163, "d22": null, "d64": null, "eta": 168.458, "theta": -138.544, "eta_prime": -167.266, "theta_prime": -155.743, "eta_base": -123.005, "theta_base": -111.053, "v0": -35.177, "v1": 40.970, "v2": -31.200, "v3": 12.222, "v4": 13.972, "amplitude": 40.176, "phase_angle": 140.950, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.007, "frame": { "rmsd": 0.007, "origin": [ -48.477, -35.546, -27.526 ], "x_axis": [ -0.719, 0.577, -0.387 ], "y_axis": [ -0.444, 0.046, 0.895 ], "z_axis": [ 0.534, 0.815, 0.224 ], "quaternion": [ 0.371, 0.054, 0.621, 0.689 ] } }, { "index": 53, "index_chain": 6, "chain_name": "C", "nt_resnum": 863, "nt_name": "DT", "nt_code": "T", "nt_id": "///C/863", "linked_nts": [ "///C/862", "///C/864" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -61.139, "beta": -179.333, "gamma": 47.796, "delta": 122.357, "epsilon": 177.950, "zeta": -104.235, "epsilon_zeta": -77.815, "bb_type": "BI", "chi": -111.798, "glyco_bond": "anti", "C5prime_xyz": [ -2.667, 8.298, -1.965 ], "P_xyz": [ -0.626, 9.845, -2.061 ], "form": "B", "ssZp": 2.280, "Dp": 2.358, "splay_angle": 21.952, "splay_distance": 3.718, "splay_ratio": 0.191, "d22": 3.967, "d64": 3.559, "eta": 171.062, "theta": -156.390, "eta_prime": -169.576, "theta_prime": -163.239, "eta_base": -117.653, "theta_base": -110.854, "v0": -33.800, "v1": 33.965, "v2": -21.778, "v3": 3.289, "v4": 18.997, "amplitude": 34.784, "phase_angle": 128.763, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.105, "frame": { "rmsd": 0.006, "origin": [ -47.445, -32.582, -27.780 ], "x_axis": [ -0.815, 0.521, 0.254 ], "y_axis": [ 0.174, -0.198, 0.965 ], "z_axis": [ 0.553, 0.830, 0.071 ], "quaternion": [ 0.120, 0.279, 0.622, 0.722 ] } }, { "index": 54, "index_chain": 7, "chain_name": "C", "nt_resnum": 864, "nt_name": "DC", "nt_code": "C", "nt_id": "///C/864", "linked_nts": [ "///C/863", "///C/865" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -29.738, "beta": 173.256, "gamma": 28.787, "delta": 143.087, "epsilon": -156.229, "zeta": -123.544, "epsilon_zeta": -32.685, "bb_type": "BI", "chi": -111.340, "glyco_bond": "anti", "C5prime_xyz": [ -1.993, 8.492, -1.637 ], "P_xyz": [ 0.150, 9.820, -0.984 ], "form": "B", "ssZp": 1.829, "Dp": 1.901, "splay_angle": 17.744, "splay_distance": 3.162, "splay_ratio": 0.156, "d22": 4.007, "d64": 3.518, "eta": -179.535, "theta": -131.647, "eta_prime": -156.904, "theta_prime": -151.354, "eta_base": -101.621, "theta_base": -101.400, "v0": -22.195, "v1": 36.165, "v2": -35.841, "v3": 23.940, "v4": -1.333, "amplitude": 37.418, "phase_angle": 163.304, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.065, "frame": { "rmsd": 0.006, "origin": [ -46.405, -29.116, -26.924 ], "x_axis": [ -0.545, 0.198, 0.815 ], "y_axis": [ 0.652, -0.511, 0.560 ], "z_axis": [ 0.527, 0.836, 0.150 ], "quaternion": [ -0.153, 0.452, 0.470, 0.743 ] } }, { "index": 55, "index_chain": 8, "chain_name": "C", "nt_resnum": 865, "nt_name": "DC", "nt_code": "C", "nt_id": "///C/865", "linked_nts": [ "///C/864", "///C/866" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": 51.097, "beta": -151.852, "gamma": -97.043, "delta": 157.988, "epsilon": -154.471, "zeta": -117.909, "epsilon_zeta": -36.561, "bb_type": "BI", "chi": -122.372, "glyco_bond": "anti", "C5prime_xyz": [ -1.111, 8.269, -0.682 ], "P_xyz": [ 0.168, 10.229, -1.720 ], "form": "B", "ssZp": 1.795, "Dp": 1.780, "splay_angle": 16.562, "splay_distance": 2.926, "splay_ratio": 0.145, "d22": 3.993, "d64": 3.506, "eta": -172.419, "theta": -156.100, "eta_prime": -163.055, "theta_prime": -149.750, "eta_base": -108.052, "theta_base": -111.352, "v0": -0.893, "v1": 23.364, "v2": -35.427, "v3": 35.926, "v4": -22.333, "amplitude": 37.110, "phase_angle": 197.320, "puckering": "C3'-exo", "sugar_class": "~C2'-endo", "bin": "22m", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.064, "frame": { "rmsd": 0.006, "origin": [ -45.366, -26.340, -25.825 ], "x_axis": [ -0.021, -0.181, 0.983 ], "y_axis": [ 0.875, -0.479, -0.070 ], "z_axis": [ 0.484, 0.859, 0.168 ], "quaternion": [ -0.409, 0.568, 0.306, 0.646 ] } }, { "index": 56, "index_chain": 9, "chain_name": "C", "nt_resnum": 866, "nt_name": "DT", "nt_code": "T", "nt_id": "///C/866", "linked_nts": [ "///C/865", "///C/867" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": 0.058, "beta": 133.557, "gamma": 0.871, "delta": 114.605, "epsilon": 171.493, "zeta": -104.402, "epsilon_zeta": -84.105, "bb_type": "BI", "chi": -102.672, "glyco_bond": "anti", "C5prime_xyz": [ -3.005, 7.931, -2.487 ], "P_xyz": [ -1.229, 9.838, -2.596 ], "form": "B", "ssZp": 2.134, "Dp": 2.367, "splay_angle": 19.452, "splay_distance": 3.270, "splay_ratio": 0.170, "d22": null, "d64": null, "eta": 153.419, "theta": -174.427, "eta_prime": -173.105, "theta_prime": -176.357, "eta_base": -130.020, "theta_base": -141.936, "v0": -36.145, "v1": 32.712, "v2": -17.585, "v3": -2.260, "v4": 24.119, "amplitude": 35.592, "phase_angle": 119.609, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.106, "frame": { "rmsd": 0.006, "origin": [ -44.053, -23.917, -24.840 ], "x_axis": [ 0.391, -0.415, 0.822 ], "y_axis": [ 0.840, -0.204, -0.503 ], "z_axis": [ 0.376, 0.887, 0.269 ], "quaternion": [ 0.603, -0.576, -0.185, -0.520 ] } }, { "index": 57, "index_chain": 10, "chain_name": "C", "nt_resnum": 867, "nt_name": "DA", "nt_code": "A", "nt_id": "///C/867", "linked_nts": [ "///C/866", "///C/868" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -64.593, "beta": 179.676, "gamma": 55.610, "delta": 136.981, "epsilon": -172.471, "zeta": -105.645, "epsilon_zeta": -66.826, "bb_type": "BI", "chi": -107.531, "glyco_bond": "anti", "C5prime_xyz": [ -2.165, 8.260, -1.889 ], "P_xyz": [ 0.262, 9.216, -1.922 ], "form": ".", "ssZp": 2.136, "Dp": 2.172, "splay_angle": 18.384, "splay_distance": 3.242, "splay_ratio": 0.163, "d22": null, "d64": null, "eta": 169.782, "theta": -137.767, "eta_prime": -170.420, "theta_prime": -154.068, "eta_base": -134.597, "theta_base": -125.020, "v0": -20.926, "v1": 31.039, "v2": -29.031, "v3": 17.821, "v4": 1.739, "amplitude": 31.284, "phase_angle": 158.120, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.037, "frame": { "rmsd": 0.007, "origin": [ -42.923, -20.902, -24.270 ], "x_axis": [ 0.736, -0.535, 0.415 ], "y_axis": [ 0.551, 0.117, -0.827 ], "z_axis": [ 0.394, 0.837, 0.380 ], "quaternion": [ 0.747, -0.557, -0.007, -0.363 ] } }, { "index": 58, "index_chain": 11, "chain_name": "C", "nt_resnum": 868, "nt_name": "DG", "nt_code": "G", "nt_id": "///C/868", "linked_nts": [ "///C/867", "///C/869" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -51.452, "beta": 165.075, "gamma": 46.282, "delta": 131.245, "epsilon": -168.286, "zeta": -142.676, "epsilon_zeta": -25.610, "bb_type": "--", "chi": -114.767, "glyco_bond": "anti", "C5prime_xyz": [ -3.165, 8.376, -1.651 ], "P_xyz": [ -1.190, 10.037, -1.814 ], "form": "B", "ssZp": 2.619, "Dp": 2.518, "splay_angle": 21.683, "splay_distance": 3.484, "splay_ratio": 0.188, "d22": null, "d64": null, "eta": 167.353, "theta": -174.070, "eta_prime": -167.562, "theta_prime": -178.951, "eta_base": -131.534, "theta_base": -138.520, "v0": -41.786, "v1": 45.580, "v2": -31.534, "v3": 8.880, "v4": 20.129, "amplitude": 44.956, "phase_angle": 134.542, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.006, "frame": { "rmsd": 0.006, "origin": [ -41.780, -18.607, -22.287 ], "x_axis": [ 0.901, -0.434, 0.011 ], "y_axis": [ 0.206, 0.405, -0.891 ], "z_axis": [ 0.383, 0.805, 0.454 ], "quaternion": [ 0.831, -0.510, 0.112, -0.193 ] } }, { "index": 59, "index_chain": 12, "chain_name": "C", "nt_resnum": 869, "nt_name": "DG", "nt_code": "G", "nt_id": "///C/869", "linked_nts": [ "///C/868", "///C/870" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -35.779, "beta": 168.939, "gamma": 35.170, "delta": 138.982, "epsilon": -170.604, "zeta": -89.131, "epsilon_zeta": -81.472, "bb_type": "BI", "chi": -113.593, "glyco_bond": "anti", "C5prime_xyz": [ -1.672, 8.436, -1.482 ], "P_xyz": [ 0.701, 9.221, -0.715 ], "form": "B", "ssZp": 1.970, "Dp": 2.129, "splay_angle": 18.614, "splay_distance": 3.290, "splay_ratio": 0.163, "d22": null, "d64": null, "eta": -179.535, "theta": -122.453, "eta_prime": -166.007, "theta_prime": -139.479, "eta_base": -125.535, "theta_base": -106.832, "v0": -12.627, "v1": 25.770, "v2": -28.506, "v3": 21.886, "v4": -6.028, "amplitude": 28.708, "phase_angle": 173.187, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.012, "frame": { "rmsd": 0.012, "origin": [ -40.789, -16.005, -20.191 ], "x_axis": [ 0.813, -0.143, -0.565 ], "y_axis": [ -0.392, 0.582, -0.712 ], "z_axis": [ 0.431, 0.801, 0.417 ], "quaternion": [ 0.838, -0.451, 0.297, 0.074 ] } }, { "index": 60, "index_chain": 13, "chain_name": "C", "nt_resnum": 870, "nt_name": "DA", "nt_code": "A", "nt_id": "///C/870", "linked_nts": [ "///C/869", "///C/871" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -54.074, "beta": 179.702, "gamma": 32.972, "delta": 116.465, "epsilon": 174.823, "zeta": -78.703, "epsilon_zeta": -106.474, "bb_type": "BI", "chi": -112.964, "glyco_bond": "anti", "C5prime_xyz": [ -2.447, 8.313, -2.027 ], "P_xyz": [ -0.530, 10.072, -2.105 ], "form": ".", "ssZp": 2.203, "Dp": 2.384, "splay_angle": 18.282, "splay_distance": 3.385, "splay_ratio": 0.166, "d22": null, "d64": null, "eta": 165.190, "theta": -148.709, "eta_prime": -171.670, "theta_prime": -157.360, "eta_base": -129.407, "theta_base": -113.403, "v0": -30.499, "v1": 28.286, "v2": -16.282, "v3": -0.596, "v4": 19.599, "amplitude": 30.392, "phase_angle": 122.394, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.038, "frame": { "rmsd": 0.007, "origin": [ -38.836, -13.706, -18.881 ], "x_axis": [ 0.462, 0.129, -0.878 ], "y_axis": [ -0.719, 0.634, -0.285 ], "z_axis": [ 0.520, 0.762, 0.385 ], "quaternion": [ 0.788, -0.332, 0.444, 0.269 ] } }, { "index": 61, "index_chain": 14, "chain_name": "C", "nt_resnum": 871, "nt_name": "DC", "nt_code": "C", "nt_id": "///C/871", "linked_nts": [ "///C/870", "///C/872" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -58.229, "beta": 171.260, "gamma": 48.293, "delta": 95.181, "epsilon": 179.200, "zeta": -83.153, "epsilon_zeta": -97.647, "bb_type": "BI", "chi": -131.915, "glyco_bond": "anti", "C5prime_xyz": [ -2.815, 8.787, -1.412 ], "P_xyz": [ -0.884, 10.541, -1.652 ], "form": "B", "ssZp": 2.864, "Dp": 2.958, "splay_angle": 22.578, "splay_distance": 3.915, "splay_ratio": 0.196, "d22": 4.290, "d64": 4.057, "eta": 172.989, "theta": -166.656, "eta_prime": -170.563, "theta_prime": -164.160, "eta_base": -119.731, "theta_base": -133.936, "v0": -36.223, "v1": 20.233, "v2": 1.985, "v3": -22.943, "v4": 37.356, "amplitude": 37.988, "phase_angle": 87.005, "puckering": "O4'-endo", "sugar_class": "--", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.062, "frame": { "rmsd": 0.008, "origin": [ -36.268, -11.501, -18.801 ], "x_axis": [ -0.002, 0.433, -0.901 ], "y_axis": [ -0.813, 0.525, 0.253 ], "z_axis": [ 0.583, 0.733, 0.351 ], "quaternion": [ 0.685, -0.175, 0.542, 0.455 ] } }, { "index": 62, "index_chain": 15, "chain_name": "C", "nt_resnum": 872, "nt_name": "DC", "nt_code": "C", "nt_id": "///C/872", "linked_nts": [ "///C/871", "///C/873" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -57.266, "beta": -178.506, "gamma": 48.378, "delta": 134.711, "epsilon": -162.234, "zeta": -95.358, "epsilon_zeta": -66.876, "bb_type": "BI", "chi": -122.060, "glyco_bond": "anti", "C5prime_xyz": [ -2.179, 8.682, -1.384 ], "P_xyz": [ -0.064, 10.076, -0.764 ], "form": ".", "ssZp": 1.927, "Dp": 2.039, "splay_angle": 20.494, "splay_distance": 3.699, "splay_ratio": 0.183, "d22": 4.044, "d64": 3.970, "eta": 177.464, "theta": -129.517, "eta_prime": -160.125, "theta_prime": -142.150, "eta_base": -127.480, "theta_base": -108.531, "v0": -29.543, "v1": 37.992, "v2": -31.712, "v3": 15.731, "v4": 8.478, "amplitude": 37.273, "phase_angle": 148.298, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "32p", "cluster": "1b", "suiteness": 0.197, "filter_rmsd": 0.063, "frame": { "rmsd": 0.005, "origin": [ -33.557, -8.850, -17.826 ], "x_axis": [ -0.512, 0.457, -0.728 ], "y_axis": [ -0.724, 0.227, 0.652 ], "z_axis": [ 0.462, 0.860, 0.215 ], "quaternion": [ 0.482, -0.108, 0.617, 0.612 ] } }, { "index": 63, "index_chain": 16, "chain_name": "C", "nt_resnum": 873, "nt_name": "DC", "nt_code": "C", "nt_id": "///C/873", "linked_nts": [ "///C/872", null ], "nt_type": "DNA", "dbn": ")", "summary": "anti,canonical,non-pair-contact,helix,stem-end,phosphate", "alpha": -62.258, "beta": 175.737, "gamma": 31.220, "delta": 108.798, "epsilon": null, "zeta": null, "epsilon_zeta": null, "bb_type": "--", "chi": -119.686, "glyco_bond": "anti", "C5prime_xyz": [ -2.738, 8.463, -1.828 ], "P_xyz": [ -0.952, 10.349, -1.775 ], "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": -36.960, "v1": 27.654, "v2": -9.273, "v3": -11.362, "v4": 30.270, "amplitude": 35.745, "phase_angle": 105.036, "puckering": "O4'-endo", "sugar_class": "--", "bin": "23p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.064, "frame": { "rmsd": 0.007, "origin": [ -31.807, -5.598, -18.019 ], "x_axis": [ -0.875, 0.369, -0.313 ], "y_axis": [ -0.353, -0.047, 0.934 ], "z_axis": [ 0.330, 0.928, 0.171 ], "quaternion": [ 0.250, 0.006, 0.644, 0.723 ] } }, { "index": 64, "index_chain": 1, "chain_name": "F", "nt_resnum": 900, "nt_name": "TTW", "nt_code": "t", "is_modified": true, "nt_id": "///F/900", "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": 59.216, "delta": 81.878, "epsilon": null, "zeta": null, "epsilon_zeta": null, "bb_type": "--", "chi": -145.575, "glyco_bond": "anti", "C5prime_xyz": [ -1.346, 8.840, -0.495 ], "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": -0.311, "v1": -25.028, "v2": 38.740, "v3": -38.578, "v4": 25.138, "amplitude": 40.759, "phase_angle": 18.112, "puckering": "C3'-endo", "sugar_class": "~C3'-endo", "bin": "inc", "cluster": "__", "suiteness": 0.000, "filter_rmsd": 0.074, "frame": { "rmsd": 0.058, "origin": [ -14.695, -7.629, -63.240 ], "x_axis": [ 0.346, 0.132, 0.929 ], "y_axis": [ 0.937, -0.106, -0.334 ], "z_axis": [ 0.055, 0.986, -0.161 ], "quaternion": [ 0.519, -0.635, -0.421, -0.387 ] } }, { "index": 65, "index_chain": 1, "chain_name": "A", "nt_resnum": 900, "nt_name": "TTW", "nt_code": "t", "is_modified": true, "nt_id": "///A/900", "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": 72.462, "delta": 75.247, "epsilon": null, "zeta": null, "epsilon_zeta": null, "bb_type": "--", "chi": -147.407, "glyco_bond": "anti", "C5prime_xyz": [ -1.342, 8.886, -0.385 ], "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": -8.460, "v1": -18.014, "v2": 34.640, "v3": -40.710, "v4": 30.024, "amplitude": 39.939, "phase_angle": 29.849, "puckering": "C3'-endo", "sugar_class": "~C3'-endo", "bin": "inc", "cluster": "__", "suiteness": 0.000, "filter_rmsd": 0.080, "frame": { "rmsd": 0.056, "origin": [ -30.836, -2.540, -17.666 ], "x_axis": [ -0.975, 0.174, 0.135 ], "y_axis": [ 0.126, -0.063, 0.990 ], "z_axis": [ 0.181, 0.983, 0.040 ], "quaternion": [ 0.017, 0.110, 0.684, 0.721 ] } } ], "num_hbonds": 844, "hbonds": [ { "index": 1, "atom1_serNum": 20, "atom2_serNum": 1767, "donAcc_type": "standard", "distance": 3.063, "atom1_id": "///F/2/NH1", "atom2_id": "///F/230/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 2, "atom1_serNum": 21, "atom2_serNum": 1784, "donAcc_type": "standard", "distance": 3.193, "atom1_id": "///F/2/NH2", "atom2_id": "///F/232/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 3, "atom1_serNum": 25, "atom2_serNum": 856, "donAcc_type": "standard", "distance": 3.013, "atom1_id": "///F/3/O", "atom2_id": "///F/109/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 4, "atom1_serNum": 30, "atom2_serNum": 920, "donAcc_type": "standard", "distance": 2.928, "atom1_id": "///F/3/NZ", "atom2_id": "///F/117/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 5, "atom1_serNum": 31, "atom2_serNum": 1111, "donAcc_type": "standard", "distance": 2.851, "atom1_id": "///F/4/N", "atom2_id": "///F/143/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 6, "atom1_serNum": 34, "atom2_serNum": 1108, "donAcc_type": "standard", "distance": 3.037, "atom1_id": "///F/4/O", "atom2_id": "///F/143/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 7, "atom1_serNum": 39, "atom2_serNum": 843, "donAcc_type": "standard", "distance": 2.833, "atom1_id": "///F/5/N", "atom2_id": "///F/107/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 8, "atom1_serNum": 42, "atom2_serNum": 840, "donAcc_type": "standard", "distance": 2.774, "atom1_id": "///F/5/O", "atom2_id": "///F/107/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 9, "atom1_serNum": 47, "atom2_serNum": 1100, "donAcc_type": "standard", "distance": 2.871, "atom1_id": "///F/6/N", "atom2_id": "///F/141/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 10, "atom1_serNum": 50, "atom2_serNum": 1097, "donAcc_type": "standard", "distance": 2.824, "atom1_id": "///F/6/O", "atom2_id": "///F/141/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 11, "atom1_serNum": 53, "atom2_serNum": 1187, "donAcc_type": "acceptable", "distance": 2.861, "atom1_id": "///F/6/ND1", "atom2_id": "///F/153/OG", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 12, "atom1_serNum": 56, "atom2_serNum": 822, "donAcc_type": "standard", "distance": 3.124, "atom1_id": "///F/6/NE2", "atom2_id": "///F/104/OE2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 13, "atom1_serNum": 57, "atom2_serNum": 826, "donAcc_type": "standard", "distance": 3.032, "atom1_id": "///F/7/N", "atom2_id": "///F/105/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 14, "atom1_serNum": 60, "atom2_serNum": 823, "donAcc_type": "standard", "distance": 3.182, "atom1_id": "///F/7/O", "atom2_id": "///F/105/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 15, "atom1_serNum": 64, "atom2_serNum": 1089, "donAcc_type": "standard", "distance": 2.842, "atom1_id": "///F/8/N", "atom2_id": "///F/139/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 16, "atom1_serNum": 67, "atom2_serNum": 1086, "donAcc_type": "standard", "distance": 2.866, "atom1_id": "///F/8/O", "atom2_id": "///F/139/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 17, "atom1_serNum": 70, "atom2_serNum": 72, "donAcc_type": "standard", "distance": 3.032, "atom1_id": "///F/8/OD1", "atom2_id": "///F/9/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 18, "atom1_serNum": 70, "atom2_serNum": 813, "donAcc_type": "questionable", "distance": 3.177, "atom1_id": "///F/8/OD1", "atom2_id": "///F/103/OD2", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 19, "atom1_serNum": 72, "atom2_serNum": 809, "donAcc_type": "standard", "distance": 3.025, "atom1_id": "///F/9/N", "atom2_id": "///F/103/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 20, "atom1_serNum": 75, "atom2_serNum": 813, "donAcc_type": "questionable", "distance": 3.224, "atom1_id": "///F/9/O", "atom2_id": "///F/103/OD2", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 21, "atom1_serNum": 80, "atom2_serNum": 1077, "donAcc_type": "standard", "distance": 3.062, "atom1_id": "///F/10/N", "atom2_id": "///F/137/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 22, "atom1_serNum": 86, "atom2_serNum": 1091, "donAcc_type": "acceptable", "distance": 2.854, "atom1_id": "///F/10/OD1", "atom2_id": "///F/139/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 23, "atom1_serNum": 87, "atom2_serNum": 1079, "donAcc_type": "acceptable", "distance": 2.503, "atom1_id": "///F/10/OD2", "atom2_id": "///F/137/OG1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 24, "atom1_serNum": 87, "atom2_serNum": 1228, "donAcc_type": "standard", "distance": 2.851, "atom1_id": "///F/10/OD2", "atom2_id": "///F/159/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 25, "atom1_serNum": 88, "atom2_serNum": 6694, "donAcc_type": "acceptable", "distance": 2.833, "atom1_id": "///F/11/N", "atom2_id": "///F/900/O1G", "atom_pair": "N:O", "residue_pair": "aa:ligand" }, { "index": 26, "atom1_serNum": 91, "atom2_serNum": 116, "donAcc_type": "standard", "distance": 3.014, "atom1_id": "///F/11/O", "atom2_id": "///F/14/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 27, "atom1_serNum": 91, "atom2_serNum": 121, "donAcc_type": "standard", "distance": 2.598, "atom1_id": "///F/11/O", "atom2_id": "///F/15/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 28, "atom1_serNum": 94, "atom2_serNum": 6691, "donAcc_type": "standard", "distance": 2.939, "atom1_id": "///F/12/N", "atom2_id": "///F/900/O2B", "atom_pair": "N:O", "residue_pair": "aa:ligand" }, { "index": 29, "atom1_serNum": 97, "atom2_serNum": 126, "donAcc_type": "standard", "distance": 3.028, "atom1_id": "///F/12/O", "atom2_id": "///F/16/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 30, "atom1_serNum": 105, "atom2_serNum": 6681, "donAcc_type": "standard", "distance": 3.313, "atom1_id": "///F/13/N", "atom2_id": "///F/900/O3'", "atom_pair": "N:O", "residue_pair": "aa:ligand" }, { "index": 31, "atom1_serNum": 108, "atom2_serNum": 133, "donAcc_type": "standard", "distance": 3.056, "atom1_id": "///F/13/O", "atom2_id": "///F/17/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 32, "atom1_serNum": 119, "atom2_serNum": 142, "donAcc_type": "standard", "distance": 2.927, "atom1_id": "///F/14/O", "atom2_id": "///F/18/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 33, "atom1_serNum": 124, "atom2_serNum": 150, "donAcc_type": "standard", "distance": 3.097, "atom1_id": "///F/15/O", "atom2_id": "///F/19/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 34, "atom1_serNum": 129, "atom2_serNum": 161, "donAcc_type": "standard", "distance": 3.132, "atom1_id": "///F/16/O", "atom2_id": "///F/20/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 35, "atom1_serNum": 136, "atom2_serNum": 169, "donAcc_type": "standard", "distance": 2.851, "atom1_id": "///F/17/O", "atom2_id": "///F/21/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 36, "atom1_serNum": 140, "atom2_serNum": 576, "donAcc_type": "standard", "distance": 2.649, "atom1_id": "///F/17/OE1", "atom2_id": "///F/75/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 37, "atom1_serNum": 141, "atom2_serNum": 612, "donAcc_type": "acceptable", "distance": 2.551, "atom1_id": "///F/17/OE2", "atom2_id": "///F/79/OH", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 38, "atom1_serNum": 157, "atom2_serNum": 167, "donAcc_type": "standard", "distance": 2.833, "atom1_id": "///F/19/NE", "atom2_id": "///F/20/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 39, "atom1_serNum": 159, "atom2_serNum": 1052, "donAcc_type": "standard", "distance": 2.817, "atom1_id": "///F/19/NH1", "atom2_id": "///F/134/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 40, "atom1_serNum": 168, "atom2_serNum": 575, "donAcc_type": "standard", "distance": 2.965, "atom1_id": "///F/20/OD2", "atom2_id": "///F/75/NH1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 41, "atom1_serNum": 172, "atom2_serNum": 189, "donAcc_type": "standard", "distance": 2.998, "atom1_id": "///F/21/O", "atom2_id": "///F/24/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 42, "atom1_serNum": 175, "atom2_serNum": 184, "donAcc_type": "standard", "distance": 3.120, "atom1_id": "///F/21/OD1", "atom2_id": "///F/23/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 43, "atom1_serNum": 180, "atom2_serNum": 197, "donAcc_type": "standard", "distance": 3.114, "atom1_id": "///F/22/O", "atom2_id": "///F/25/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 44, "atom1_serNum": 192, "atom2_serNum": 352, "donAcc_type": "standard", "distance": 3.575, "atom1_id": "///F/24/O", "atom2_id": "///F/45/ND2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 45, "atom1_serNum": 219, "atom2_serNum": 231, "donAcc_type": "standard", "distance": 3.228, "atom1_id": "///F/27/O", "atom2_id": "///F/29/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 46, "atom1_serNum": 219, "atom2_serNum": 352, "donAcc_type": "standard", "distance": 2.814, "atom1_id": "///F/27/O", "atom2_id": "///F/45/ND2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 47, "atom1_serNum": 227, "atom2_serNum": 532, "donAcc_type": "standard", "distance": 2.954, "atom1_id": "///F/28/O", "atom2_id": "///F/70/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 48, "atom1_serNum": 231, "atom2_serNum": 351, "donAcc_type": "standard", "distance": 2.921, "atom1_id": "///F/29/N", "atom2_id": "///F/45/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 49, "atom1_serNum": 234, "atom2_serNum": 345, "donAcc_type": "standard", "distance": 3.077, "atom1_id": "///F/29/O", "atom2_id": "///F/45/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 50, "atom1_serNum": 239, "atom2_serNum": 535, "donAcc_type": "standard", "distance": 2.857, "atom1_id": "///F/30/N", "atom2_id": "///F/70/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 51, "atom1_serNum": 242, "atom2_serNum": 547, "donAcc_type": "standard", "distance": 2.804, "atom1_id": "///F/30/O", "atom2_id": "///F/72/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 52, "atom1_serNum": 244, "atom2_serNum": 336, "donAcc_type": "standard", "distance": 2.948, "atom1_id": "///F/31/N", "atom2_id": "///F/43/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 53, "atom1_serNum": 247, "atom2_serNum": 327, "donAcc_type": "standard", "distance": 2.582, "atom1_id": "///F/31/O", "atom2_id": "///F/42/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 54, "atom1_serNum": 247, "atom2_serNum": 333, "donAcc_type": "standard", "distance": 3.444, "atom1_id": "///F/31/O", "atom2_id": "///F/43/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 55, "atom1_serNum": 252, "atom2_serNum": 550, "donAcc_type": "standard", "distance": 3.198, "atom1_id": "///F/32/N", "atom2_id": "///F/72/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 56, "atom1_serNum": 256, "atom2_serNum": 315, "donAcc_type": "standard", "distance": 3.387, "atom1_id": "///F/33/N", "atom2_id": "///F/40/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 57, "atom1_serNum": 259, "atom2_serNum": 461, "donAcc_type": "acceptable", "distance": 2.713, "atom1_id": "///F/33/O", "atom2_id": "///F/59/OG1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 58, "atom1_serNum": 263, "atom2_serNum": 297, "donAcc_type": "standard", "distance": 3.081, "atom1_id": "///F/34/O", "atom2_id": "///F/38/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 59, "atom1_serNum": 263, "atom2_serNum": 308, "donAcc_type": "standard", "distance": 2.930, "atom1_id": "///F/34/O", "atom2_id": "///F/39/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 60, "atom1_serNum": 265, "atom2_serNum": 284, "donAcc_type": "acceptable", "distance": 3.372, "atom1_id": "///F/34/OG", "atom2_id": "///F/36/OE1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 61, "atom1_serNum": 265, "atom2_serNum": 286, "donAcc_type": "acceptable", "distance": 3.129, "atom1_id": "///F/34/OG", "atom2_id": "///F/37/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 62, "atom1_serNum": 269, "atom2_serNum": 297, "donAcc_type": "standard", "distance": 2.910, "atom1_id": "///F/35/O", "atom2_id": "///F/38/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 63, "atom1_serNum": 277, "atom2_serNum": 284, "donAcc_type": "standard", "distance": 2.431, "atom1_id": "///F/36/N", "atom2_id": "///F/36/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 64, "atom1_serNum": 295, "atom2_serNum": 1916, "donAcc_type": "standard", "distance": 3.677, "atom1_id": "///F/37/NH1", "atom2_id": "///F/248/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 65, "atom1_serNum": 304, "atom2_serNum": 1923, "donAcc_type": "standard", "distance": 2.785, "atom1_id": "///F/38/NE", "atom2_id": "///F/249/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 66, "atom1_serNum": 306, "atom2_serNum": 1948, "donAcc_type": "standard", "distance": 2.951, "atom1_id": "///F/38/NH1", "atom2_id": "///F/252/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 67, "atom1_serNum": 307, "atom2_serNum": 1923, "donAcc_type": "standard", "distance": 2.647, "atom1_id": "///F/38/NH2", "atom2_id": "///F/249/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 68, "atom1_serNum": 307, "atom2_serNum": 1948, "donAcc_type": "standard", "distance": 2.823, "atom1_id": "///F/38/NH2", "atom2_id": "///F/252/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 69, "atom1_serNum": 311, "atom2_serNum": 456, "donAcc_type": "standard", "distance": 2.890, "atom1_id": "///F/39/O", "atom2_id": "///F/59/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 70, "atom1_serNum": 319, "atom2_serNum": 444, "donAcc_type": "standard", "distance": 2.797, "atom1_id": "///F/41/N", "atom2_id": "///F/57/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 71, "atom1_serNum": 322, "atom2_serNum": 436, "donAcc_type": "standard", "distance": 2.890, "atom1_id": "///F/41/O", "atom2_id": "///F/56/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 72, "atom1_serNum": 330, "atom2_serNum": 435, "donAcc_type": "acceptable", "distance": 2.648, "atom1_id": "///F/42/O", "atom2_id": "///F/55/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 73, "atom1_serNum": 332, "atom2_serNum": 6672, "donAcc_type": "acceptable", "distance": 2.926, "atom1_id": "///F/42/OG", "atom2_id": "///F/900/O2", "atom_pair": "O:O", "residue_pair": "aa:ligand" }, { "index": 74, "atom1_serNum": 338, "atom2_serNum": 387, "donAcc_type": "acceptable", "distance": 3.068, "atom1_id": "///F/43/OG1", "atom2_id": "///F/49/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 75, "atom1_serNum": 338, "atom2_serNum": 6690, "donAcc_type": "acceptable", "distance": 2.577, "atom1_id": "///F/43/OG1", "atom2_id": "///F/900/O1B", "atom_pair": "O:O", "residue_pair": "aa:ligand" }, { "index": 76, "atom1_serNum": 343, "atom2_serNum": 384, "donAcc_type": "standard", "distance": 3.024, "atom1_id": "///F/44/O", "atom2_id": "///F/49/NE", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 77, "atom1_serNum": 348, "atom2_serNum": 377, "donAcc_type": "standard", "distance": 2.916, "atom1_id": "///F/45/O", "atom2_id": "///F/49/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 78, "atom1_serNum": 351, "atom2_serNum": 372, "donAcc_type": "standard", "distance": 3.100, "atom1_id": "///F/45/OD1", "atom2_id": "///F/48/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 79, "atom1_serNum": 356, "atom2_serNum": 388, "donAcc_type": "standard", "distance": 2.948, "atom1_id": "///F/46/O", "atom2_id": "///F/50/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 80, "atom1_serNum": 375, "atom2_serNum": 397, "donAcc_type": "standard", "distance": 2.947, "atom1_id": "///F/48/O", "atom2_id": "///F/51/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 81, "atom1_serNum": 375, "atom2_serNum": 412, "donAcc_type": "standard", "distance": 3.483, "atom1_id": "///F/48/O", "atom2_id": "///F/53/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 82, "atom1_serNum": 380, "atom2_serNum": 408, "donAcc_type": "standard", "distance": 2.863, "atom1_id": "///F/49/O", "atom2_id": "///F/52/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 83, "atom1_serNum": 380, "atom2_serNum": 428, "donAcc_type": "standard", "distance": 2.836, "atom1_id": "///F/49/O", "atom2_id": "///F/54/NH1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 84, "atom1_serNum": 386, "atom2_serNum": 6696, "donAcc_type": "acceptable", "distance": 3.591, "atom1_id": "///F/49/NH1", "atom2_id": "///F/900/O3G", "atom_pair": "N:O", "residue_pair": "aa:ligand" }, { "index": 85, "atom1_serNum": 387, "atom2_serNum": 6692, "donAcc_type": "unknown", "distance": 3.065, "atom1_id": "///F/49/NH2", "atom2_id": "///F/900/N3B", "atom_pair": "N:N", "residue_pair": "aa:ligand" }, { "index": 86, "atom1_serNum": 415, "atom2_serNum": 428, "donAcc_type": "standard", "distance": 2.789, "atom1_id": "///F/53/O", "atom2_id": "///F/54/NH1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 87, "atom1_serNum": 422, "atom2_serNum": 441, "donAcc_type": "standard", "distance": 3.250, "atom1_id": "///F/54/O", "atom2_id": "///F/57/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 88, "atom1_serNum": 452, "atom2_serNum": 467, "donAcc_type": "standard", "distance": 2.910, "atom1_id": "///F/58/O", "atom2_id": "///F/61/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 89, "atom1_serNum": 452, "atom2_serNum": 475, "donAcc_type": "standard", "distance": 2.971, "atom1_id": "///F/58/O", "atom2_id": "///F/62/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 90, "atom1_serNum": 459, "atom2_serNum": 480, "donAcc_type": "standard", "distance": 2.921, "atom1_id": "///F/59/O", "atom2_id": "///F/63/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 91, "atom1_serNum": 466, "atom2_serNum": 488, "donAcc_type": "standard", "distance": 3.277, "atom1_id": "///F/60/O", "atom2_id": "///F/64/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 92, "atom1_serNum": 470, "atom2_serNum": 493, "donAcc_type": "standard", "distance": 3.081, "atom1_id": "///F/61/O", "atom2_id": "///F/65/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 93, "atom1_serNum": 478, "atom2_serNum": 501, "donAcc_type": "standard", "distance": 2.830, "atom1_id": "///F/62/O", "atom2_id": "///F/66/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 94, "atom1_serNum": 504, "atom2_serNum": 524, "donAcc_type": "standard", "distance": 2.873, "atom1_id": "///F/66/O", "atom2_id": "///F/69/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 95, "atom1_serNum": 566, "atom2_serNum": 612, "donAcc_type": "acceptable", "distance": 3.093, "atom1_id": "///F/75/N", "atom2_id": "///F/79/OH", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 96, "atom1_serNum": 569, "atom2_serNum": 596, "donAcc_type": "standard", "distance": 3.058, "atom1_id": "///F/75/O", "atom2_id": "///F/78/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 97, "atom1_serNum": 569, "atom2_serNum": 601, "donAcc_type": "standard", "distance": 3.175, "atom1_id": "///F/75/O", "atom2_id": "///F/79/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 98, "atom1_serNum": 580, "atom2_serNum": 613, "donAcc_type": "standard", "distance": 2.834, "atom1_id": "///F/76/O", "atom2_id": "///F/80/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 99, "atom1_serNum": 591, "atom2_serNum": 622, "donAcc_type": "standard", "distance": 2.904, "atom1_id": "///F/77/O", "atom2_id": "///F/81/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 100, "atom1_serNum": 599, "atom2_serNum": 631, "donAcc_type": "standard", "distance": 3.115, "atom1_id": "///F/78/O", "atom2_id": "///F/82/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 101, "atom1_serNum": 604, "atom2_serNum": 636, "donAcc_type": "standard", "distance": 2.950, "atom1_id": "///F/79/O", "atom2_id": "///F/83/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 102, "atom1_serNum": 616, "atom2_serNum": 642, "donAcc_type": "standard", "distance": 2.883, "atom1_id": "///F/80/O", "atom2_id": "///F/84/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 103, "atom1_serNum": 625, "atom2_serNum": 650, "donAcc_type": "standard", "distance": 3.176, "atom1_id": "///F/81/O", "atom2_id": "///F/85/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 104, "atom1_serNum": 634, "atom2_serNum": 660, "donAcc_type": "standard", "distance": 2.963, "atom1_id": "///F/82/O", "atom2_id": "///F/86/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 105, "atom1_serNum": 639, "atom2_serNum": 668, "donAcc_type": "standard", "distance": 3.007, "atom1_id": "///F/83/O", "atom2_id": "///F/87/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 106, "atom1_serNum": 641, "atom2_serNum": 801, "donAcc_type": "acceptable", "distance": 2.583, "atom1_id": "///F/83/OG", "atom2_id": "///F/102/O", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 107, "atom1_serNum": 645, "atom2_serNum": 679, "donAcc_type": "standard", "distance": 2.911, "atom1_id": "///F/84/O", "atom2_id": "///F/88/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 108, "atom1_serNum": 653, "atom2_serNum": 688, "donAcc_type": "standard", "distance": 2.889, "atom1_id": "///F/85/O", "atom2_id": "///F/89/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 109, "atom1_serNum": 659, "atom2_serNum": 1048, "donAcc_type": "standard", "distance": 2.780, "atom1_id": "///F/85/NE2", "atom2_id": "///F/133/OE2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 110, "atom1_serNum": 663, "atom2_serNum": 696, "donAcc_type": "standard", "distance": 2.816, "atom1_id": "///F/86/O", "atom2_id": "///F/90/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 111, "atom1_serNum": 671, "atom2_serNum": 707, "donAcc_type": "standard", "distance": 3.043, "atom1_id": "///F/87/O", "atom2_id": "///F/91/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 112, "atom1_serNum": 678, "atom2_serNum": 795, "donAcc_type": "standard", "distance": 2.824, "atom1_id": "///F/87/NH2", "atom2_id": "///F/101/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 113, "atom1_serNum": 682, "atom2_serNum": 712, "donAcc_type": "acceptable", "distance": 2.508, "atom1_id": "///F/88/O", "atom2_id": "///F/91/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 114, "atom1_serNum": 682, "atom2_serNum": 713, "donAcc_type": "standard", "distance": 3.425, "atom1_id": "///F/88/O", "atom2_id": "///F/92/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 115, "atom1_serNum": 686, "atom2_serNum": 723, "donAcc_type": "standard", "distance": 2.571, "atom1_id": "///F/88/OE1", "atom2_id": "///F/92/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 116, "atom1_serNum": 687, "atom2_serNum": 720, "donAcc_type": "standard", "distance": 2.869, "atom1_id": "///F/88/OE2", "atom2_id": "///F/92/NE", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 117, "atom1_serNum": 691, "atom2_serNum": 713, "donAcc_type": "standard", "distance": 3.033, "atom1_id": "///F/89/O", "atom2_id": "///F/92/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 118, "atom1_serNum": 699, "atom2_serNum": 724, "donAcc_type": "standard", "distance": 2.865, "atom1_id": "///F/90/O", "atom2_id": "///F/93/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 119, "atom1_serNum": 699, "atom2_serNum": 736, "donAcc_type": "standard", "distance": 3.262, "atom1_id": "///F/90/O", "atom2_id": "///F/94/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 120, "atom1_serNum": 716, "atom2_serNum": 900, "donAcc_type": "standard", "distance": 3.198, "atom1_id": "///F/92/O", "atom2_id": "///F/114/NE2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 121, "atom1_serNum": 722, "atom2_serNum": 1047, "donAcc_type": "standard", "distance": 2.802, "atom1_id": "///F/92/NH1", "atom2_id": "///F/133/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 122, "atom1_serNum": 723, "atom2_serNum": 1048, "donAcc_type": "standard", "distance": 3.062, "atom1_id": "///F/92/NH2", "atom2_id": "///F/133/OE2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 123, "atom1_serNum": 735, "atom2_serNum": 977, "donAcc_type": "acceptable", "distance": 2.467, "atom1_id": "///F/93/OH", "atom2_id": "///F/125/OE2", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 124, "atom1_serNum": 741, "atom2_serNum": 749, "donAcc_type": "acceptable", "distance": 2.873, "atom1_id": "///F/94/OG1", "atom2_id": "///F/96/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 125, "atom1_serNum": 746, "atom2_serNum": 760, "donAcc_type": "standard", "distance": 2.946, "atom1_id": "///F/95/O", "atom2_id": "///F/97/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 126, "atom1_serNum": 752, "atom2_serNum": 848, "donAcc_type": "standard", "distance": 3.042, "atom1_id": "///F/96/O", "atom2_id": "///F/108/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 127, "atom1_serNum": 758, "atom2_serNum": 1798, "donAcc_type": "standard", "distance": 3.138, "atom1_id": "///F/96/NH1", "atom2_id": "///F/233/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 128, "atom1_serNum": 758, "atom2_serNum": 1803, "donAcc_type": "standard", "distance": 3.262, "atom1_id": "///F/96/NH1", "atom2_id": "///F/234/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 129, "atom1_serNum": 768, "atom2_serNum": 831, "donAcc_type": "standard", "distance": 2.843, "atom1_id": "///F/98/N", "atom2_id": "///F/106/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 130, "atom1_serNum": 771, "atom2_serNum": 828, "donAcc_type": "standard", "distance": 2.945, "atom1_id": "///F/98/O", "atom2_id": "///F/106/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 131, "atom1_serNum": 775, "atom2_serNum": 1135, "donAcc_type": "standard", "distance": 2.831, "atom1_id": "///F/98/OE1", "atom2_id": "///F/146/NZ", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 132, "atom1_serNum": 775, "atom2_serNum": 1807, "donAcc_type": "standard", "distance": 2.627, "atom1_id": "///F/98/OE1", "atom2_id": "///F/235/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 133, "atom1_serNum": 776, "atom2_serNum": 1135, "donAcc_type": "standard", "distance": 3.258, "atom1_id": "///F/98/OE2", "atom2_id": "///F/146/NZ", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 134, "atom1_serNum": 776, "atom2_serNum": 1839, "donAcc_type": "standard", "distance": 3.054, "atom1_id": "///F/98/OE2", "atom2_id": "///F/238/NH1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 135, "atom1_serNum": 784, "atom2_serNum": 817, "donAcc_type": "standard", "distance": 3.029, "atom1_id": "///F/100/N", "atom2_id": "///F/104/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 136, "atom1_serNum": 795, "atom2_serNum": 817, "donAcc_type": "questionable", "distance": 3.352, "atom1_id": "///F/101/O", "atom2_id": "///F/104/O", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 137, "atom1_serNum": 797, "atom2_serNum": 812, "donAcc_type": "acceptable", "distance": 3.208, "atom1_id": "///F/101/OG", "atom2_id": "///F/103/OD1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 138, "atom1_serNum": 797, "atom2_serNum": 5979, "donAcc_type": "acceptable", "distance": 2.780, "atom1_id": "///F/101/OG", "atom2_id": "///H/873/O3'", "atom_pair": "O:O", "residue_pair": "aa:nt" }, { "index": 139, "atom1_serNum": 812, "atom2_serNum": 821, "donAcc_type": "questionable", "distance": 2.964, "atom1_id": "///F/103/OD1", "atom2_id": "///F/104/OE1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 140, "atom1_serNum": 822, "atom2_serNum": 1168, "donAcc_type": "standard", "distance": 3.413, "atom1_id": "///F/104/OE2", "atom2_id": "///F/150/NZ", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 141, "atom1_serNum": 854, "atom2_serNum": 863, "donAcc_type": "standard", "distance": 3.087, "atom1_id": "///F/108/OD1", "atom2_id": "///F/110/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 142, "atom1_serNum": 854, "atom2_serNum": 868, "donAcc_type": "acceptable", "distance": 2.921, "atom1_id": "///F/108/OD1", "atom2_id": "///F/110/OG1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 143, "atom1_serNum": 859, "atom2_serNum": 878, "donAcc_type": "standard", "distance": 3.060, "atom1_id": "///F/109/O", "atom2_id": "///F/112/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 144, "atom1_serNum": 883, "atom2_serNum": 891, "donAcc_type": "acceptable", "distance": 2.958, "atom1_id": "///F/112/OG", "atom2_id": "///F/114/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 145, "atom1_serNum": 894, "atom2_serNum": 917, "donAcc_type": "standard", "distance": 2.937, "atom1_id": "///F/114/O", "atom2_id": "///F/117/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 146, "atom1_serNum": 904, "atom2_serNum": 921, "donAcc_type": "standard", "distance": 2.761, "atom1_id": "///F/115/O", "atom2_id": "///F/118/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 147, "atom1_serNum": 920, "atom2_serNum": 927, "donAcc_type": "standard", "distance": 3.316, "atom1_id": "///F/117/O", "atom2_id": "///F/119/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 148, "atom1_serNum": 924, "atom2_serNum": 947, "donAcc_type": "standard", "distance": 3.001, "atom1_id": "///F/118/O", "atom2_id": "///F/122/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 149, "atom1_serNum": 926, "atom2_serNum": 939, "donAcc_type": "acceptable", "distance": 2.868, "atom1_id": "///F/118/OG", "atom2_id": "///F/121/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 150, "atom1_serNum": 930, "atom2_serNum": 955, "donAcc_type": "standard", "distance": 2.915, "atom1_id": "///F/119/O", "atom2_id": "///F/123/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 151, "atom1_serNum": 935, "atom2_serNum": 960, "donAcc_type": "standard", "distance": 3.046, "atom1_id": "///F/120/O", "atom2_id": "///F/124/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 152, "atom1_serNum": 935, "atom2_serNum": 1248, "donAcc_type": "standard", "distance": 3.159, "atom1_id": "///F/120/O", "atom2_id": "///F/161/NE2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 153, "atom1_serNum": 942, "atom2_serNum": 969, "donAcc_type": "standard", "distance": 2.923, "atom1_id": "///F/121/O", "atom2_id": "///F/125/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 154, "atom1_serNum": 950, "atom2_serNum": 978, "donAcc_type": "standard", "distance": 3.013, "atom1_id": "///F/122/O", "atom2_id": "///F/126/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 155, "atom1_serNum": 958, "atom2_serNum": 986, "donAcc_type": "standard", "distance": 3.102, "atom1_id": "///F/123/O", "atom2_id": "///F/127/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 156, "atom1_serNum": 963, "atom2_serNum": 997, "donAcc_type": "standard", "distance": 2.917, "atom1_id": "///F/124/O", "atom2_id": "///F/128/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 157, "atom1_serNum": 972, "atom2_serNum": 1006, "donAcc_type": "standard", "distance": 2.802, "atom1_id": "///F/125/O", "atom2_id": "///F/129/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 158, "atom1_serNum": 972, "atom2_serNum": 1011, "donAcc_type": "acceptable", "distance": 2.786, "atom1_id": "///F/125/O", "atom2_id": "///F/129/OG1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 159, "atom1_serNum": 981, "atom2_serNum": 1013, "donAcc_type": "standard", "distance": 2.853, "atom1_id": "///F/126/O", "atom2_id": "///F/130/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 160, "atom1_serNum": 989, "atom2_serNum": 1021, "donAcc_type": "standard", "distance": 2.973, "atom1_id": "///F/127/O", "atom2_id": "///F/131/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 161, "atom1_serNum": 993, "atom2_serNum": 1247, "donAcc_type": "standard", "distance": 2.909, "atom1_id": "///F/127/NE", "atom2_id": "///F/161/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 162, "atom1_serNum": 995, "atom2_serNum": 1084, "donAcc_type": "standard", "distance": 3.381, "atom1_id": "///F/127/NH1", "atom2_id": "///F/138/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 163, "atom1_serNum": 995, "atom2_serNum": 1234, "donAcc_type": "standard", "distance": 3.037, "atom1_id": "///F/127/NH1", "atom2_id": "///F/159/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 164, "atom1_serNum": 996, "atom2_serNum": 1247, "donAcc_type": "standard", "distance": 3.314, "atom1_id": "///F/127/NH2", "atom2_id": "///F/161/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 165, "atom1_serNum": 1000, "atom2_serNum": 1032, "donAcc_type": "standard", "distance": 2.910, "atom1_id": "///F/128/O", "atom2_id": "///F/132/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 166, "atom1_serNum": 1016, "atom2_serNum": 1049, "donAcc_type": "standard", "distance": 3.250, "atom1_id": "///F/130/O", "atom2_id": "///F/134/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 167, "atom1_serNum": 1024, "atom2_serNum": 1057, "donAcc_type": "standard", "distance": 2.796, "atom1_id": "///F/131/O", "atom2_id": "///F/135/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 168, "atom1_serNum": 1035, "atom2_serNum": 1049, "donAcc_type": "standard", "distance": 2.512, "atom1_id": "///F/132/O", "atom2_id": "///F/134/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 169, "atom1_serNum": 1084, "atom2_serNum": 1236, "donAcc_type": "standard", "distance": 3.790, "atom1_id": "///F/138/O", "atom2_id": "///F/160/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 170, "atom1_serNum": 1092, "atom2_serNum": 1239, "donAcc_type": "standard", "distance": 3.059, "atom1_id": "///F/140/N", "atom2_id": "///F/160/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 171, "atom1_serNum": 1095, "atom2_serNum": 1249, "donAcc_type": "standard", "distance": 3.171, "atom1_id": "///F/140/O", "atom2_id": "///F/162/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 172, "atom1_serNum": 1101, "atom2_serNum": 1252, "donAcc_type": "standard", "distance": 2.927, "atom1_id": "///F/142/N", "atom2_id": "///F/162/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 173, "atom1_serNum": 1104, "atom2_serNum": 1267, "donAcc_type": "standard", "distance": 2.715, "atom1_id": "///F/142/O", "atom2_id": "///F/164/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 174, "atom1_serNum": 1123, "atom2_serNum": 1155, "donAcc_type": "standard", "distance": 3.216, "atom1_id": "///F/145/O", "atom2_id": "///F/149/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 175, "atom1_serNum": 1130, "atom2_serNum": 1160, "donAcc_type": "standard", "distance": 2.964, "atom1_id": "///F/146/O", "atom2_id": "///F/150/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 176, "atom1_serNum": 1135, "atom2_serNum": 1795, "donAcc_type": "standard", "distance": 3.039, "atom1_id": "///F/146/NZ", "atom2_id": "///F/233/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 177, "atom1_serNum": 1136, "atom2_serNum": 1771, "donAcc_type": "standard", "distance": 3.071, "atom1_id": "///F/147/N", "atom2_id": "///F/230/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 178, "atom1_serNum": 1139, "atom2_serNum": 1169, "donAcc_type": "standard", "distance": 2.950, "atom1_id": "///F/147/O", "atom2_id": "///F/151/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 179, "atom1_serNum": 1150, "atom2_serNum": 1177, "donAcc_type": "standard", "distance": 2.812, "atom1_id": "///F/148/O", "atom2_id": "///F/152/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 180, "atom1_serNum": 1158, "atom2_serNum": 1182, "donAcc_type": "standard", "distance": 3.091, "atom1_id": "///F/149/O", "atom2_id": "///F/153/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 181, "atom1_serNum": 1163, "atom2_serNum": 1187, "donAcc_type": "acceptable", "distance": 2.895, "atom1_id": "///F/150/O", "atom2_id": "///F/153/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 182, "atom1_serNum": 1163, "atom2_serNum": 1188, "donAcc_type": "standard", "distance": 3.790, "atom1_id": "///F/150/O", "atom2_id": "///F/154/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 183, "atom1_serNum": 1168, "atom2_serNum": 5972, "donAcc_type": "standard", "distance": 3.128, "atom1_id": "///F/150/NZ", "atom2_id": "///H/873/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 184, "atom1_serNum": 1172, "atom2_serNum": 1188, "donAcc_type": "standard", "distance": 3.253, "atom1_id": "///F/151/O", "atom2_id": "///F/154/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 185, "atom1_serNum": 1180, "atom2_serNum": 1196, "donAcc_type": "standard", "distance": 3.160, "atom1_id": "///F/152/O", "atom2_id": "///F/155/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 186, "atom1_serNum": 1194, "atom2_serNum": 1220, "donAcc_type": "standard", "distance": 3.378, "atom1_id": "///F/154/OD1", "atom2_id": "///F/157/NZ", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 187, "atom1_serNum": 1211, "atom2_serNum": 1243, "donAcc_type": "standard", "distance": 2.974, "atom1_id": "///F/156/ND2", "atom2_id": "///F/161/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 188, "atom1_serNum": 1275, "atom2_serNum": 1302, "donAcc_type": "standard", "distance": 2.724, "atom1_id": "///F/165/N", "atom2_id": "///F/168/OE2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 189, "atom1_serNum": 1278, "atom2_serNum": 1294, "donAcc_type": "standard", "distance": 2.860, "atom1_id": "///F/165/O", "atom2_id": "///F/168/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 190, "atom1_serNum": 1278, "atom2_serNum": 1303, "donAcc_type": "standard", "distance": 3.151, "atom1_id": "///F/165/O", "atom2_id": "///F/169/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 191, "atom1_serNum": 1280, "atom2_serNum": 1294, "donAcc_type": "acceptable", "distance": 3.173, "atom1_id": "///F/165/OG1", "atom2_id": "///F/168/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 192, "atom1_serNum": 1297, "atom2_serNum": 1322, "donAcc_type": "standard", "distance": 3.109, "atom1_id": "///F/168/O", "atom2_id": "///F/172/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 193, "atom1_serNum": 1306, "atom2_serNum": 1333, "donAcc_type": "standard", "distance": 2.893, "atom1_id": "///F/169/O", "atom2_id": "///F/173/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 194, "atom1_serNum": 1313, "atom2_serNum": 1341, "donAcc_type": "standard", "distance": 3.126, "atom1_id": "///F/170/O", "atom2_id": "///F/174/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 195, "atom1_serNum": 1336, "atom2_serNum": 1357, "donAcc_type": "standard", "distance": 3.090, "atom1_id": "///F/173/O", "atom2_id": "///F/176/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 196, "atom1_serNum": 1336, "atom2_serNum": 1531, "donAcc_type": "standard", "distance": 3.626, "atom1_id": "///F/173/O", "atom2_id": "///F/201/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 197, "atom1_serNum": 1344, "atom2_serNum": 1523, "donAcc_type": "acceptable", "distance": 3.499, "atom1_id": "///F/174/O", "atom2_id": "///F/199/OG1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 198, "atom1_serNum": 1344, "atom2_serNum": 1531, "donAcc_type": "standard", "distance": 3.136, "atom1_id": "///F/174/O", "atom2_id": "///F/201/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 199, "atom1_serNum": 1349, "atom2_serNum": 1557, "donAcc_type": "standard", "distance": 2.956, "atom1_id": "///F/174/NE2", "atom2_id": "///F/204/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 200, "atom1_serNum": 1353, "atom2_serNum": 1365, "donAcc_type": "standard", "distance": 3.293, "atom1_id": "///F/175/O", "atom2_id": "///F/177/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 201, "atom1_serNum": 1360, "atom2_serNum": 1525, "donAcc_type": "standard", "distance": 2.861, "atom1_id": "///F/176/O", "atom2_id": "///F/200/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 202, "atom1_serNum": 1368, "atom2_serNum": 1385, "donAcc_type": "standard", "distance": 2.980, "atom1_id": "///F/177/O", "atom2_id": "///F/180/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 203, "atom1_serNum": 1372, "atom2_serNum": 1510, "donAcc_type": "standard", "distance": 2.730, "atom1_id": "///F/178/N", "atom2_id": "///F/198/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 204, "atom1_serNum": 1375, "atom2_serNum": 1394, "donAcc_type": "standard", "distance": 2.833, "atom1_id": "///F/178/O", "atom2_id": "///F/181/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 205, "atom1_serNum": 1397, "atom2_serNum": 1413, "donAcc_type": "standard", "distance": 2.932, "atom1_id": "///F/181/O", "atom2_id": "///F/184/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 206, "atom1_serNum": 1409, "atom2_serNum": 5953, "donAcc_type": "standard", "distance": 2.742, "atom1_id": "///F/183/N", "atom2_id": "///H/872/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 207, "atom1_serNum": 1420, "atom2_serNum": 5934, "donAcc_type": "standard", "distance": 3.016, "atom1_id": "///F/185/N", "atom2_id": "///H/871/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 208, "atom1_serNum": 1423, "atom2_serNum": 1446, "donAcc_type": "standard", "distance": 2.775, "atom1_id": "///F/185/O", "atom2_id": "///F/189/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 209, "atom1_serNum": 1427, "atom2_serNum": 1451, "donAcc_type": "standard", "distance": 2.899, "atom1_id": "///F/186/O", "atom2_id": "///F/190/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 210, "atom1_serNum": 1433, "atom2_serNum": 5935, "donAcc_type": "standard", "distance": 2.899, "atom1_id": "///F/187/N", "atom2_id": "///H/871/OP2", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 211, "atom1_serNum": 1436, "atom2_serNum": 1456, "donAcc_type": "standard", "distance": 3.018, "atom1_id": "///F/187/O", "atom2_id": "///F/191/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 212, "atom1_serNum": 1440, "atom2_serNum": 5934, "donAcc_type": "standard", "distance": 2.883, "atom1_id": "///F/188/N", "atom2_id": "///H/871/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 213, "atom1_serNum": 1443, "atom2_serNum": 1465, "donAcc_type": "standard", "distance": 2.815, "atom1_id": "///F/188/O", "atom2_id": "///F/192/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 214, "atom1_serNum": 1445, "atom2_serNum": 5934, "donAcc_type": "acceptable", "distance": 2.567, "atom1_id": "///F/188/OG", "atom2_id": "///H/871/OP1", "atom_pair": "O:O", "residue_pair": "aa:nt" }, { "index": 215, "atom1_serNum": 1449, "atom2_serNum": 1473, "donAcc_type": "standard", "distance": 2.790, "atom1_id": "///F/189/O", "atom2_id": "///F/193/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 216, "atom1_serNum": 1454, "atom2_serNum": 1482, "donAcc_type": "standard", "distance": 3.024, "atom1_id": "///F/190/O", "atom2_id": "///F/194/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 217, "atom1_serNum": 1468, "atom2_serNum": 1487, "donAcc_type": "standard", "distance": 3.196, "atom1_id": "///F/192/O", "atom2_id": "///F/195/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 218, "atom1_serNum": 1468, "atom2_serNum": 1499, "donAcc_type": "standard", "distance": 2.900, "atom1_id": "///F/192/O", "atom2_id": "///F/197/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 219, "atom1_serNum": 1507, "atom2_serNum": 1542, "donAcc_type": "standard", "distance": 2.818, "atom1_id": "///F/198/N", "atom2_id": "///F/202/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 220, "atom1_serNum": 1518, "atom2_serNum": 1542, "donAcc_type": "standard", "distance": 3.099, "atom1_id": "///F/199/N", "atom2_id": "///F/202/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 221, "atom1_serNum": 1521, "atom2_serNum": 1543, "donAcc_type": "standard", "distance": 3.137, "atom1_id": "///F/199/O", "atom2_id": "///F/203/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 222, "atom1_serNum": 1523, "atom2_serNum": 1535, "donAcc_type": "acceptable", "distance": 3.107, "atom1_id": "///F/199/OG1", "atom2_id": "///F/202/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 223, "atom1_serNum": 1528, "atom2_serNum": 1550, "donAcc_type": "standard", "distance": 2.855, "atom1_id": "///F/200/O", "atom2_id": "///F/204/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 224, "atom1_serNum": 1534, "atom2_serNum": 1559, "donAcc_type": "standard", "distance": 3.605, "atom1_id": "///F/201/O", "atom2_id": "///F/205/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 225, "atom1_serNum": 1546, "atom2_serNum": 1564, "donAcc_type": "standard", "distance": 2.905, "atom1_id": "///F/203/O", "atom2_id": "///F/206/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 226, "atom1_serNum": 1558, "atom2_serNum": 1740, "donAcc_type": "standard", "distance": 2.727, "atom1_id": "///F/204/NE2", "atom2_id": "///F/226/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 227, "atom1_serNum": 1573, "atom2_serNum": 1601, "donAcc_type": "standard", "distance": 3.194, "atom1_id": "///F/207/O", "atom2_id": "///F/211/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 228, "atom1_serNum": 1581, "atom2_serNum": 1609, "donAcc_type": "standard", "distance": 2.875, "atom1_id": "///F/208/O", "atom2_id": "///F/212/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 229, "atom1_serNum": 1589, "atom2_serNum": 1617, "donAcc_type": "standard", "distance": 3.014, "atom1_id": "///F/209/O", "atom2_id": "///F/213/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 230, "atom1_serNum": 1596, "atom2_serNum": 1626, "donAcc_type": "standard", "distance": 2.772, "atom1_id": "///F/210/O", "atom2_id": "///F/214/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 231, "atom1_serNum": 1604, "atom2_serNum": 1637, "donAcc_type": "standard", "distance": 2.760, "atom1_id": "///F/211/O", "atom2_id": "///F/215/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 232, "atom1_serNum": 1612, "atom2_serNum": 1648, "donAcc_type": "standard", "distance": 2.735, "atom1_id": "///F/212/O", "atom2_id": "///F/216/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 233, "atom1_serNum": 1629, "atom2_serNum": 1633, "donAcc_type": "standard", "distance": 3.019, "atom1_id": "///F/214/O", "atom2_id": "///F/214/NE", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 234, "atom1_serNum": 1640, "atom2_serNum": 1661, "donAcc_type": "standard", "distance": 3.452, "atom1_id": "///F/215/O", "atom2_id": "///F/218/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 235, "atom1_serNum": 1651, "atom2_serNum": 1672, "donAcc_type": "standard", "distance": 2.801, "atom1_id": "///F/216/O", "atom2_id": "///F/219/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 236, "atom1_serNum": 1651, "atom2_serNum": 1676, "donAcc_type": "standard", "distance": 3.566, "atom1_id": "///F/216/O", "atom2_id": "///F/220/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 237, "atom1_serNum": 1652, "atom2_serNum": 5562, "donAcc_type": "standard", "distance": 3.533, "atom1_id": "///F/217/N", "atom2_id": "///G/847/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 238, "atom1_serNum": 1655, "atom2_serNum": 1687, "donAcc_type": "standard", "distance": 3.224, "atom1_id": "///F/217/O", "atom2_id": "///F/221/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 239, "atom1_serNum": 1660, "atom2_serNum": 5563, "donAcc_type": "standard", "distance": 3.212, "atom1_id": "///F/217/NZ", "atom2_id": "///G/847/OP2", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 240, "atom1_serNum": 1664, "atom2_serNum": 1695, "donAcc_type": "standard", "distance": 2.853, "atom1_id": "///F/218/O", "atom2_id": "///F/222/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 241, "atom1_serNum": 1675, "atom2_serNum": 1703, "donAcc_type": "standard", "distance": 2.871, "atom1_id": "///F/219/O", "atom2_id": "///F/223/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 242, "atom1_serNum": 1679, "atom2_serNum": 1717, "donAcc_type": "standard", "distance": 2.894, "atom1_id": "///F/220/O", "atom2_id": "///F/224/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 243, "atom1_serNum": 1690, "atom2_serNum": 1726, "donAcc_type": "standard", "distance": 2.818, "atom1_id": "///F/221/O", "atom2_id": "///F/225/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 244, "atom1_serNum": 1698, "atom2_serNum": 1737, "donAcc_type": "standard", "distance": 3.032, "atom1_id": "///F/222/O", "atom2_id": "///F/226/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 245, "atom1_serNum": 1698, "atom2_serNum": 1742, "donAcc_type": "acceptable", "distance": 2.890, "atom1_id": "///F/222/O", "atom2_id": "///F/226/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 246, "atom1_serNum": 1720, "atom2_serNum": 1743, "donAcc_type": "standard", "distance": 2.823, "atom1_id": "///F/224/O", "atom2_id": "///F/227/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 247, "atom1_serNum": 1720, "atom2_serNum": 1756, "donAcc_type": "standard", "distance": 3.013, "atom1_id": "///F/224/O", "atom2_id": "///F/229/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 248, "atom1_serNum": 1724, "atom2_serNum": 1735, "donAcc_type": "standard", "distance": 3.319, "atom1_id": "///F/224/OE1", "atom2_id": "///F/225/NH1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 249, "atom1_serNum": 1729, "atom2_serNum": 1752, "donAcc_type": "standard", "distance": 2.960, "atom1_id": "///F/225/O", "atom2_id": "///F/228/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 250, "atom1_serNum": 1735, "atom2_serNum": 1759, "donAcc_type": "standard", "distance": 2.810, "atom1_id": "///F/225/NH1", "atom2_id": "///F/229/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 251, "atom1_serNum": 1770, "atom2_serNum": 1781, "donAcc_type": "standard", "distance": 3.155, "atom1_id": "///F/230/OD1", "atom2_id": "///F/232/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 252, "atom1_serNum": 1770, "atom2_serNum": 1788, "donAcc_type": "standard", "distance": 2.779, "atom1_id": "///F/230/OD1", "atom2_id": "///F/232/NE", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 253, "atom1_serNum": 1771, "atom2_serNum": 1791, "donAcc_type": "standard", "distance": 2.738, "atom1_id": "///F/230/OD2", "atom2_id": "///F/232/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 254, "atom1_serNum": 1795, "atom2_serNum": 1807, "donAcc_type": "standard", "distance": 3.206, "atom1_id": "///F/233/O", "atom2_id": "///F/235/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 255, "atom1_serNum": 1813, "atom2_serNum": 1821, "donAcc_type": "standard", "distance": 2.903, "atom1_id": "///F/235/OD1", "atom2_id": "///F/237/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 256, "atom1_serNum": 1840, "atom2_serNum": 5511, "donAcc_type": "standard", "distance": 3.023, "atom1_id": "///F/238/NH2", "atom2_id": "///G/844/O3'", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 257, "atom1_serNum": 1840, "atom2_serNum": 5524, "donAcc_type": "standard", "distance": 3.126, "atom1_id": "///F/238/NH2", "atom2_id": "///G/845/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 258, "atom1_serNum": 1858, "atom2_serNum": 5482, "donAcc_type": "standard", "distance": 2.472, "atom1_id": "///F/240/NH1", "atom2_id": "///G/843/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 259, "atom1_serNum": 1860, "atom2_serNum": 5504, "donAcc_type": "standard", "distance": 2.872, "atom1_id": "///F/241/N", "atom2_id": "///G/844/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 260, "atom1_serNum": 1863, "atom2_serNum": 2657, "donAcc_type": "standard", "distance": 2.920, "atom1_id": "///F/241/O", "atom2_id": "///F/338/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 261, "atom1_serNum": 1868, "atom2_serNum": 5525, "donAcc_type": "standard", "distance": 2.673, "atom1_id": "///F/241/NZ", "atom2_id": "///G/845/OP2", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 262, "atom1_serNum": 1874, "atom2_serNum": 5505, "donAcc_type": "acceptable", "distance": 2.675, "atom1_id": "///F/242/OG", "atom2_id": "///G/844/OP2", "atom_pair": "O:O", "residue_pair": "aa:nt" }, { "index": 263, "atom1_serNum": 1875, "atom2_serNum": 2646, "donAcc_type": "standard", "distance": 3.076, "atom1_id": "///F/243/N", "atom2_id": "///F/336/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 264, "atom1_serNum": 1878, "atom2_serNum": 2643, "donAcc_type": "standard", "distance": 2.983, "atom1_id": "///F/243/O", "atom2_id": "///F/336/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 265, "atom1_serNum": 1882, "atom2_serNum": 5483, "donAcc_type": "standard", "distance": 2.837, "atom1_id": "///F/244/N", "atom2_id": "///G/843/OP2", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 266, "atom1_serNum": 1885, "atom2_serNum": 2137, "donAcc_type": "standard", "distance": 2.861, "atom1_id": "///F/244/O", "atom2_id": "///F/273/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 267, "atom1_serNum": 1886, "atom2_serNum": 2628, "donAcc_type": "standard", "distance": 2.989, "atom1_id": "///F/245/N", "atom2_id": "///F/334/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 268, "atom1_serNum": 1889, "atom2_serNum": 2625, "donAcc_type": "standard", "distance": 2.701, "atom1_id": "///F/245/O", "atom2_id": "///F/334/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 269, "atom1_serNum": 1893, "atom2_serNum": 5461, "donAcc_type": "standard", "distance": 2.862, "atom1_id": "///F/246/N", "atom2_id": "///G/842/OP2", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 270, "atom1_serNum": 1900, "atom2_serNum": 2259, "donAcc_type": "standard", "distance": 3.297, "atom1_id": "///F/246/OE1", "atom2_id": "///F/289/NZ", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 271, "atom1_serNum": 1901, "atom2_serNum": 2259, "donAcc_type": "standard", "distance": 3.246, "atom1_id": "///F/246/OE2", "atom2_id": "///F/289/NZ", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 272, "atom1_serNum": 1902, "atom2_serNum": 2617, "donAcc_type": "standard", "distance": 2.784, "atom1_id": "///F/247/N", "atom2_id": "///F/332/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 273, "atom1_serNum": 1905, "atom2_serNum": 2614, "donAcc_type": "standard", "distance": 2.978, "atom1_id": "///F/247/O", "atom2_id": "///F/332/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 274, "atom1_serNum": 1913, "atom2_serNum": 5438, "donAcc_type": "standard", "distance": 2.992, "atom1_id": "///F/248/N", "atom2_id": "///G/841/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 275, "atom1_serNum": 1918, "atom2_serNum": 5439, "donAcc_type": "acceptable", "distance": 2.691, "atom1_id": "///F/248/OG1", "atom2_id": "///G/841/OP2", "atom_pair": "O:O", "residue_pair": "aa:nt" }, { "index": 276, "atom1_serNum": 1920, "atom2_serNum": 2598, "donAcc_type": "standard", "distance": 2.967, "atom1_id": "///F/249/N", "atom2_id": "///F/330/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 277, "atom1_serNum": 1949, "atom2_serNum": 2294, "donAcc_type": "questionable", "distance": 2.627, "atom1_id": "///F/252/OD2", "atom2_id": "///F/293/OD1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 278, "atom1_serNum": 1950, "atom2_serNum": 2591, "donAcc_type": "standard", "distance": 2.926, "atom1_id": "///F/253/N", "atom2_id": "///F/329/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 279, "atom1_serNum": 1953, "atom2_serNum": 2588, "donAcc_type": "standard", "distance": 2.999, "atom1_id": "///F/253/O", "atom2_id": "///F/329/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 280, "atom1_serNum": 1958, "atom2_serNum": 2006, "donAcc_type": "standard", "distance": 2.942, "atom1_id": "///F/254/N", "atom2_id": "///F/258/OE2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 281, "atom1_serNum": 1968, "atom2_serNum": 2006, "donAcc_type": "standard", "distance": 3.038, "atom1_id": "///F/255/N", "atom2_id": "///F/258/OE2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 282, "atom1_serNum": 1971, "atom2_serNum": 1998, "donAcc_type": "standard", "distance": 2.982, "atom1_id": "///F/255/O", "atom2_id": "///F/258/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 283, "atom1_serNum": 1971, "atom2_serNum": 2007, "donAcc_type": "standard", "distance": 3.346, "atom1_id": "///F/255/O", "atom2_id": "///F/259/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 284, "atom1_serNum": 1981, "atom2_serNum": 2013, "donAcc_type": "standard", "distance": 2.950, "atom1_id": "///F/256/O", "atom2_id": "///F/260/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 285, "atom1_serNum": 1995, "atom2_serNum": 2022, "donAcc_type": "standard", "distance": 3.077, "atom1_id": "///F/257/O", "atom2_id": "///F/261/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 286, "atom1_serNum": 2001, "atom2_serNum": 2027, "donAcc_type": "standard", "distance": 3.050, "atom1_id": "///F/258/O", "atom2_id": "///F/262/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 287, "atom1_serNum": 2010, "atom2_serNum": 2035, "donAcc_type": "standard", "distance": 2.960, "atom1_id": "///F/259/O", "atom2_id": "///F/263/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 288, "atom1_serNum": 2016, "atom2_serNum": 2043, "donAcc_type": "standard", "distance": 2.974, "atom1_id": "///F/260/O", "atom2_id": "///F/264/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 289, "atom1_serNum": 2021, "atom2_serNum": 2051, "donAcc_type": "questionable", "distance": 2.840, "atom1_id": "///F/260/OE2", "atom2_id": "///F/264/OE2", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 290, "atom1_serNum": 2025, "atom2_serNum": 2052, "donAcc_type": "standard", "distance": 3.361, "atom1_id": "///F/261/O", "atom2_id": "///F/265/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 291, "atom1_serNum": 2030, "atom2_serNum": 2052, "donAcc_type": "standard", "distance": 3.086, "atom1_id": "///F/262/O", "atom2_id": "///F/265/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 292, "atom1_serNum": 2030, "atom2_serNum": 2063, "donAcc_type": "standard", "distance": 3.020, "atom1_id": "///F/262/O", "atom2_id": "///F/266/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 293, "atom1_serNum": 2038, "atom2_serNum": 2071, "donAcc_type": "standard", "distance": 2.943, "atom1_id": "///F/263/O", "atom2_id": "///F/267/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 294, "atom1_serNum": 2050, "atom2_serNum": 2438, "donAcc_type": "standard", "distance": 2.696, "atom1_id": "///F/264/OE1", "atom2_id": "///F/309/NZ", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 295, "atom1_serNum": 2066, "atom2_serNum": 2090, "donAcc_type": "standard", "distance": 3.026, "atom1_id": "///F/266/O", "atom2_id": "///F/269/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 296, "atom1_serNum": 2066, "atom2_serNum": 2099, "donAcc_type": "standard", "distance": 3.129, "atom1_id": "///F/266/O", "atom2_id": "///F/270/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 297, "atom1_serNum": 2074, "atom2_serNum": 2107, "donAcc_type": "standard", "distance": 2.912, "atom1_id": "///F/267/O", "atom2_id": "///F/271/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 298, "atom1_serNum": 2086, "atom2_serNum": 2116, "donAcc_type": "standard", "distance": 2.842, "atom1_id": "///F/268/O", "atom2_id": "///F/272/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 299, "atom1_serNum": 2093, "atom2_serNum": 2127, "donAcc_type": "standard", "distance": 3.034, "atom1_id": "///F/269/O", "atom2_id": "///F/273/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 300, "atom1_serNum": 2102, "atom2_serNum": 2138, "donAcc_type": "standard", "distance": 2.890, "atom1_id": "///F/270/O", "atom2_id": "///F/274/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 301, "atom1_serNum": 2110, "atom2_serNum": 2146, "donAcc_type": "standard", "distance": 2.934, "atom1_id": "///F/271/O", "atom2_id": "///F/275/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 302, "atom1_serNum": 2119, "atom2_serNum": 2151, "donAcc_type": "standard", "distance": 3.294, "atom1_id": "///F/272/O", "atom2_id": "///F/276/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 303, "atom1_serNum": 2130, "atom2_serNum": 2160, "donAcc_type": "standard", "distance": 3.808, "atom1_id": "///F/273/O", "atom2_id": "///F/277/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 304, "atom1_serNum": 2136, "atom2_serNum": 5460, "donAcc_type": "standard", "distance": 2.894, "atom1_id": "///F/273/NH1", "atom2_id": "///G/842/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 305, "atom1_serNum": 2137, "atom2_serNum": 5467, "donAcc_type": "standard", "distance": 3.234, "atom1_id": "///F/273/NH2", "atom2_id": "///G/842/O3'", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 306, "atom1_serNum": 2137, "atom2_serNum": 5482, "donAcc_type": "standard", "distance": 3.381, "atom1_id": "///F/273/NH2", "atom2_id": "///G/843/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 307, "atom1_serNum": 2141, "atom2_serNum": 2160, "donAcc_type": "standard", "distance": 3.052, "atom1_id": "///F/274/O", "atom2_id": "///F/277/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 308, "atom1_serNum": 2141, "atom2_serNum": 2167, "donAcc_type": "standard", "distance": 2.602, "atom1_id": "///F/274/O", "atom2_id": "///F/278/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 309, "atom1_serNum": 2170, "atom2_serNum": 2191, "donAcc_type": "standard", "distance": 2.837, "atom1_id": "///F/278/O", "atom2_id": "///F/281/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 310, "atom1_serNum": 2175, "atom2_serNum": 2189, "donAcc_type": "standard", "distance": 3.312, "atom1_id": "///F/278/NZ", "atom2_id": "///F/280/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 311, "atom1_serNum": 2175, "atom2_serNum": 2190, "donAcc_type": "standard", "distance": 3.338, "atom1_id": "///F/278/NZ", "atom2_id": "///F/280/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 312, "atom1_serNum": 2189, "atom2_serNum": 2191, "donAcc_type": "standard", "distance": 3.053, "atom1_id": "///F/280/OD1", "atom2_id": "///F/281/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 313, "atom1_serNum": 2189, "atom2_serNum": 2199, "donAcc_type": "standard", "distance": 3.021, "atom1_id": "///F/280/OD1", "atom2_id": "///F/282/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 314, "atom1_serNum": 2194, "atom2_serNum": 2414, "donAcc_type": "standard", "distance": 3.284, "atom1_id": "///F/281/O", "atom2_id": "///F/307/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 315, "atom1_serNum": 2207, "atom2_serNum": 2399, "donAcc_type": "standard", "distance": 3.184, "atom1_id": "///F/283/N", "atom2_id": "///F/305/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 316, "atom1_serNum": 2215, "atom2_serNum": 2653, "donAcc_type": "standard", "distance": 2.779, "atom1_id": "///F/284/N", "atom2_id": "///F/337/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 317, "atom1_serNum": 2218, "atom2_serNum": 2382, "donAcc_type": "standard", "distance": 3.134, "atom1_id": "///F/284/O", "atom2_id": "///F/304/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 318, "atom1_serNum": 2220, "atom2_serNum": 2653, "donAcc_type": "standard", "distance": 3.095, "atom1_id": "///F/285/N", "atom2_id": "///F/337/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 319, "atom1_serNum": 2223, "atom2_serNum": 2650, "donAcc_type": "standard", "distance": 2.800, "atom1_id": "///F/285/O", "atom2_id": "///F/337/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 320, "atom1_serNum": 2230, "atom2_serNum": 5810, "donAcc_type": "standard", "distance": 3.470, "atom1_id": "///F/285/NH2", "atom2_id": "///H/865/OP2", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 321, "atom1_serNum": 2231, "atom2_serNum": 2368, "donAcc_type": "standard", "distance": 3.076, "atom1_id": "///F/286/N", "atom2_id": "///F/302/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 322, "atom1_serNum": 2234, "atom2_serNum": 2365, "donAcc_type": "standard", "distance": 3.053, "atom1_id": "///F/286/O", "atom2_id": "///F/302/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 323, "atom1_serNum": 2238, "atom2_serNum": 2422, "donAcc_type": "standard", "distance": 3.009, "atom1_id": "///F/286/OE1", "atom2_id": "///F/308/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 324, "atom1_serNum": 2239, "atom2_serNum": 2425, "donAcc_type": "standard", "distance": 3.116, "atom1_id": "///F/286/NE2", "atom2_id": "///F/308/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 325, "atom1_serNum": 2239, "atom2_serNum": 2451, "donAcc_type": "standard", "distance": 2.637, "atom1_id": "///F/286/NE2", "atom2_id": "///F/311/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 326, "atom1_serNum": 2240, "atom2_serNum": 2636, "donAcc_type": "standard", "distance": 2.785, "atom1_id": "///F/287/N", "atom2_id": "///F/335/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 327, "atom1_serNum": 2243, "atom2_serNum": 2633, "donAcc_type": "standard", "distance": 2.829, "atom1_id": "///F/287/O", "atom2_id": "///F/335/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 328, "atom1_serNum": 2244, "atom2_serNum": 2350, "donAcc_type": "standard", "distance": 2.909, "atom1_id": "///F/288/N", "atom2_id": "///F/300/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 329, "atom1_serNum": 2247, "atom2_serNum": 2347, "donAcc_type": "standard", "distance": 3.060, "atom1_id": "///F/288/O", "atom2_id": "///F/300/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 330, "atom1_serNum": 2251, "atom2_serNum": 2624, "donAcc_type": "standard", "distance": 2.912, "atom1_id": "///F/289/N", "atom2_id": "///F/333/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 331, "atom1_serNum": 2254, "atom2_serNum": 2621, "donAcc_type": "standard", "distance": 2.926, "atom1_id": "///F/289/O", "atom2_id": "///F/333/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 332, "atom1_serNum": 2260, "atom2_serNum": 2336, "donAcc_type": "standard", "distance": 3.026, "atom1_id": "///F/290/N", "atom2_id": "///F/298/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 333, "atom1_serNum": 2263, "atom2_serNum": 2333, "donAcc_type": "standard", "distance": 3.053, "atom1_id": "///F/290/O", "atom2_id": "///F/298/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 334, "atom1_serNum": 2268, "atom2_serNum": 2609, "donAcc_type": "standard", "distance": 3.120, "atom1_id": "///F/291/N", "atom2_id": "///F/331/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 335, "atom1_serNum": 2271, "atom2_serNum": 2595, "donAcc_type": "standard", "distance": 2.808, "atom1_id": "///F/291/O", "atom2_id": "///F/330/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 336, "atom1_serNum": 2271, "atom2_serNum": 2606, "donAcc_type": "standard", "distance": 3.339, "atom1_id": "///F/291/O", "atom2_id": "///F/331/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 337, "atom1_serNum": 2277, "atom2_serNum": 2318, "donAcc_type": "standard", "distance": 2.990, "atom1_id": "///F/292/N", "atom2_id": "///F/296/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 338, "atom1_serNum": 2280, "atom2_serNum": 2304, "donAcc_type": "standard", "distance": 3.302, "atom1_id": "///F/292/O", "atom2_id": "///F/295/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 339, "atom1_serNum": 2288, "atom2_serNum": 2587, "donAcc_type": "standard", "distance": 2.740, "atom1_id": "///F/293/N", "atom2_id": "///F/328/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 340, "atom1_serNum": 2295, "atom2_serNum": 2584, "donAcc_type": "standard", "distance": 2.687, "atom1_id": "///F/293/OD2", "atom2_id": "///F/328/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 341, "atom1_serNum": 2302, "atom2_serNum": 2315, "donAcc_type": "standard", "distance": 3.176, "atom1_id": "///F/294/OD1", "atom2_id": "///F/296/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 342, "atom1_serNum": 2302, "atom2_serNum": 2582, "donAcc_type": "standard", "distance": 3.023, "atom1_id": "///F/294/OD1", "atom2_id": "///F/327/NH1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 343, "atom1_serNum": 2303, "atom2_serNum": 2582, "donAcc_type": "standard", "distance": 2.991, "atom1_id": "///F/294/OD2", "atom2_id": "///F/327/NH1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 344, "atom1_serNum": 2303, "atom2_serNum": 5208, "donAcc_type": "standard", "distance": 3.577, "atom1_id": "///F/294/OD2", "atom2_id": "///A/320/NE1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 345, "atom1_serNum": 2303, "atom2_serNum": 5252, "donAcc_type": "standard", "distance": 3.123, "atom1_id": "///F/294/OD2", "atom2_id": "///A/324/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 346, "atom1_serNum": 2322, "atom2_serNum": 2582, "donAcc_type": "standard", "distance": 2.825, "atom1_id": "///F/296/OE1", "atom2_id": "///F/327/NH1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 347, "atom1_serNum": 2322, "atom2_serNum": 2583, "donAcc_type": "standard", "distance": 2.777, "atom1_id": "///F/296/OE1", "atom2_id": "///F/327/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 348, "atom1_serNum": 2323, "atom2_serNum": 5220, "donAcc_type": "standard", "distance": 3.105, "atom1_id": "///F/296/NE2", "atom2_id": "///A/321/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 349, "atom1_serNum": 2338, "atom2_serNum": 2552, "donAcc_type": "acceptable", "distance": 2.844, "atom1_id": "///F/298/OG1", "atom2_id": "///F/323/NH1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 350, "atom1_serNum": 2338, "atom2_serNum": 5870, "donAcc_type": "acceptable", "distance": 2.794, "atom1_id": "///F/298/OG1", "atom2_id": "///H/868/OP2", "atom_pair": "O:O", "residue_pair": "aa:nt" }, { "index": 351, "atom1_serNum": 2340, "atom2_serNum": 5870, "donAcc_type": "standard", "distance": 3.046, "atom1_id": "///F/299/N", "atom2_id": "///H/868/OP2", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 352, "atom1_serNum": 2343, "atom2_serNum": 2552, "donAcc_type": "standard", "distance": 2.731, "atom1_id": "///F/299/O", "atom2_id": "///F/323/NH1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 353, "atom1_serNum": 2356, "atom2_serNum": 5849, "donAcc_type": "standard", "distance": 2.847, "atom1_id": "///F/301/N", "atom2_id": "///H/867/OP2", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 354, "atom1_serNum": 2364, "atom2_serNum": 2639, "donAcc_type": "acceptable", "distance": 2.781, "atom1_id": "///F/301/OE2", "atom2_id": "///F/335/ND1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 355, "atom1_serNum": 2364, "atom2_serNum": 2655, "donAcc_type": "acceptable", "distance": 2.708, "atom1_id": "///F/301/OE2", "atom2_id": "///F/337/OG1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 356, "atom1_serNum": 2374, "atom2_serNum": 2451, "donAcc_type": "standard", "distance": 2.914, "atom1_id": "///F/302/NE2", "atom2_id": "///F/311/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 357, "atom1_serNum": 2375, "atom2_serNum": 5829, "donAcc_type": "standard", "distance": 3.143, "atom1_id": "///F/303/N", "atom2_id": "///H/866/OP2", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 358, "atom1_serNum": 2390, "atom2_serNum": 2406, "donAcc_type": "standard", "distance": 2.733, "atom1_id": "///F/304/NE1", "atom2_id": "///F/306/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 359, "atom1_serNum": 2425, "atom2_serNum": 2452, "donAcc_type": "standard", "distance": 3.221, "atom1_id": "///F/308/O", "atom2_id": "///F/312/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 360, "atom1_serNum": 2428, "atom2_serNum": 2444, "donAcc_type": "standard", "distance": 2.537, "atom1_id": "///F/308/OD1", "atom2_id": "///F/311/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 361, "atom1_serNum": 2433, "atom2_serNum": 2460, "donAcc_type": "standard", "distance": 2.892, "atom1_id": "///F/309/O", "atom2_id": "///F/313/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 362, "atom1_serNum": 2442, "atom2_serNum": 2468, "donAcc_type": "standard", "distance": 2.739, "atom1_id": "///F/310/O", "atom2_id": "///F/314/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 363, "atom1_serNum": 2447, "atom2_serNum": 2473, "donAcc_type": "standard", "distance": 2.963, "atom1_id": "///F/311/O", "atom2_id": "///F/315/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 364, "atom1_serNum": 2447, "atom2_serNum": 2478, "donAcc_type": "acceptable", "distance": 2.380, "atom1_id": "///F/311/O", "atom2_id": "///F/315/OG1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 365, "atom1_serNum": 2455, "atom2_serNum": 2478, "donAcc_type": "acceptable", "distance": 3.130, "atom1_id": "///F/312/O", "atom2_id": "///F/315/OG1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 366, "atom1_serNum": 2455, "atom2_serNum": 2480, "donAcc_type": "standard", "distance": 2.891, "atom1_id": "///F/312/O", "atom2_id": "///F/316/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 367, "atom1_serNum": 2463, "atom2_serNum": 2485, "donAcc_type": "standard", "distance": 2.784, "atom1_id": "///F/313/O", "atom2_id": "///F/317/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 368, "atom1_serNum": 2471, "atom2_serNum": 2496, "donAcc_type": "standard", "distance": 3.054, "atom1_id": "///F/314/O", "atom2_id": "///F/318/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 369, "atom1_serNum": 2476, "atom2_serNum": 2505, "donAcc_type": "standard", "distance": 2.877, "atom1_id": "///F/315/O", "atom2_id": "///F/319/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 370, "atom1_serNum": 2476, "atom2_serNum": 2510, "donAcc_type": "acceptable", "distance": 3.001, "atom1_id": "///F/315/O", "atom2_id": "///F/319/OG1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 371, "atom1_serNum": 2483, "atom2_serNum": 2512, "donAcc_type": "standard", "distance": 2.750, "atom1_id": "///F/316/O", "atom2_id": "///F/320/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 372, "atom1_serNum": 2488, "atom2_serNum": 2526, "donAcc_type": "standard", "distance": 2.798, "atom1_id": "///F/317/O", "atom2_id": "///F/321/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 373, "atom1_serNum": 2492, "atom2_serNum": 2533, "donAcc_type": "standard", "distance": 2.948, "atom1_id": "///F/317/NE", "atom2_id": "///F/321/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 374, "atom1_serNum": 2499, "atom2_serNum": 2534, "donAcc_type": "standard", "distance": 2.646, "atom1_id": "///F/318/O", "atom2_id": "///F/322/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 375, "atom1_serNum": 2508, "atom2_serNum": 2543, "donAcc_type": "standard", "distance": 3.054, "atom1_id": "///F/319/O", "atom2_id": "///F/323/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 376, "atom1_serNum": 2515, "atom2_serNum": 2561, "donAcc_type": "standard", "distance": 3.190, "atom1_id": "///F/320/O", "atom2_id": "///F/324/NE", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 377, "atom1_serNum": 2537, "atom2_serNum": 2554, "donAcc_type": "standard", "distance": 2.862, "atom1_id": "///F/322/O", "atom2_id": "///F/324/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 378, "atom1_serNum": 2546, "atom2_serNum": 2583, "donAcc_type": "standard", "distance": 3.021, "atom1_id": "///F/323/O", "atom2_id": "///F/327/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 379, "atom1_serNum": 2553, "atom2_serNum": 5848, "donAcc_type": "standard", "distance": 2.648, "atom1_id": "///F/323/NH2", "atom2_id": "///H/867/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 380, "atom1_serNum": 2557, "atom2_serNum": 2580, "donAcc_type": "standard", "distance": 2.819, "atom1_id": "///F/324/O", "atom2_id": "///F/327/NE", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 381, "atom1_serNum": 2563, "atom2_serNum": 2576, "donAcc_type": "standard", "distance": 3.609, "atom1_id": "///F/324/NH1", "atom2_id": "///F/327/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 382, "atom1_serNum": 2604, "atom2_serNum": 5398, "donAcc_type": "standard", "distance": 2.757, "atom1_id": "///F/330/NH1", "atom2_id": "///G/839/OP2", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 383, "atom1_serNum": 2605, "atom2_serNum": 5417, "donAcc_type": "standard", "distance": 2.907, "atom1_id": "///F/330/NH2", "atom2_id": "///G/840/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 384, "atom1_serNum": 2708, "atom2_serNum": 4455, "donAcc_type": "standard", "distance": 3.323, "atom1_id": "///A/2/NH1", "atom2_id": "///A/230/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 385, "atom1_serNum": 2709, "atom2_serNum": 4472, "donAcc_type": "standard", "distance": 2.491, "atom1_id": "///A/2/NH2", "atom2_id": "///A/232/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 386, "atom1_serNum": 2710, "atom2_serNum": 3556, "donAcc_type": "acceptable", "distance": 2.987, "atom1_id": "///A/3/N", "atom2_id": "///A/110/OG1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 387, "atom1_serNum": 2713, "atom2_serNum": 3544, "donAcc_type": "standard", "distance": 2.961, "atom1_id": "///A/3/O", "atom2_id": "///A/109/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 388, "atom1_serNum": 2718, "atom2_serNum": 3547, "donAcc_type": "standard", "distance": 2.539, "atom1_id": "///A/3/NZ", "atom2_id": "///A/109/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 389, "atom1_serNum": 2718, "atom2_serNum": 3554, "donAcc_type": "standard", "distance": 3.245, "atom1_id": "///A/3/NZ", "atom2_id": "///A/110/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 390, "atom1_serNum": 2719, "atom2_serNum": 3799, "donAcc_type": "standard", "distance": 2.985, "atom1_id": "///A/4/N", "atom2_id": "///A/143/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 391, "atom1_serNum": 2722, "atom2_serNum": 3796, "donAcc_type": "standard", "distance": 3.016, "atom1_id": "///A/4/O", "atom2_id": "///A/143/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 392, "atom1_serNum": 2727, "atom2_serNum": 3531, "donAcc_type": "standard", "distance": 2.876, "atom1_id": "///A/5/N", "atom2_id": "///A/107/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 393, "atom1_serNum": 2730, "atom2_serNum": 3528, "donAcc_type": "standard", "distance": 2.633, "atom1_id": "///A/5/O", "atom2_id": "///A/107/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 394, "atom1_serNum": 2735, "atom2_serNum": 3788, "donAcc_type": "standard", "distance": 2.961, "atom1_id": "///A/6/N", "atom2_id": "///A/141/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 395, "atom1_serNum": 2738, "atom2_serNum": 3785, "donAcc_type": "standard", "distance": 2.914, "atom1_id": "///A/6/O", "atom2_id": "///A/141/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 396, "atom1_serNum": 2741, "atom2_serNum": 3875, "donAcc_type": "acceptable", "distance": 3.257, "atom1_id": "///A/6/ND1", "atom2_id": "///A/153/OG", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 397, "atom1_serNum": 2744, "atom2_serNum": 3509, "donAcc_type": "standard", "distance": 3.488, "atom1_id": "///A/6/NE2", "atom2_id": "///A/104/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 398, "atom1_serNum": 2745, "atom2_serNum": 3514, "donAcc_type": "standard", "distance": 2.996, "atom1_id": "///A/7/N", "atom2_id": "///A/105/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 399, "atom1_serNum": 2748, "atom2_serNum": 3511, "donAcc_type": "standard", "distance": 3.189, "atom1_id": "///A/7/O", "atom2_id": "///A/105/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 400, "atom1_serNum": 2752, "atom2_serNum": 3777, "donAcc_type": "standard", "distance": 2.910, "atom1_id": "///A/8/N", "atom2_id": "///A/139/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 401, "atom1_serNum": 2755, "atom2_serNum": 3774, "donAcc_type": "standard", "distance": 2.978, "atom1_id": "///A/8/O", "atom2_id": "///A/139/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 402, "atom1_serNum": 2758, "atom2_serNum": 2763, "donAcc_type": "questionable", "distance": 3.020, "atom1_id": "///A/8/OD1", "atom2_id": "///A/9/O", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 403, "atom1_serNum": 2758, "atom2_serNum": 3501, "donAcc_type": "questionable", "distance": 3.129, "atom1_id": "///A/8/OD1", "atom2_id": "///A/103/OD2", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 404, "atom1_serNum": 2760, "atom2_serNum": 3497, "donAcc_type": "standard", "distance": 3.074, "atom1_id": "///A/9/N", "atom2_id": "///A/103/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 405, "atom1_serNum": 2763, "atom2_serNum": 3501, "donAcc_type": "questionable", "distance": 3.062, "atom1_id": "///A/9/O", "atom2_id": "///A/103/OD2", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 406, "atom1_serNum": 2768, "atom2_serNum": 3765, "donAcc_type": "standard", "distance": 3.089, "atom1_id": "///A/10/N", "atom2_id": "///A/137/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 407, "atom1_serNum": 2774, "atom2_serNum": 3779, "donAcc_type": "acceptable", "distance": 2.855, "atom1_id": "///A/10/OD1", "atom2_id": "///A/139/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 408, "atom1_serNum": 2774, "atom2_serNum": 3908, "donAcc_type": "standard", "distance": 2.978, "atom1_id": "///A/10/OD1", "atom2_id": "///A/157/NZ", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 409, "atom1_serNum": 2775, "atom2_serNum": 3767, "donAcc_type": "acceptable", "distance": 2.506, "atom1_id": "///A/10/OD2", "atom2_id": "///A/137/OG1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 410, "atom1_serNum": 2775, "atom2_serNum": 3916, "donAcc_type": "standard", "distance": 2.937, "atom1_id": "///A/10/OD2", "atom2_id": "///A/159/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 411, "atom1_serNum": 2776, "atom2_serNum": 6724, "donAcc_type": "acceptable", "distance": 2.780, "atom1_id": "///A/11/N", "atom2_id": "///A/900/O1G", "atom_pair": "N:O", "residue_pair": "aa:ligand" }, { "index": 412, "atom1_serNum": 2779, "atom2_serNum": 2804, "donAcc_type": "standard", "distance": 2.894, "atom1_id": "///A/11/O", "atom2_id": "///A/14/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 413, "atom1_serNum": 2779, "atom2_serNum": 2809, "donAcc_type": "standard", "distance": 2.792, "atom1_id": "///A/11/O", "atom2_id": "///A/15/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 414, "atom1_serNum": 2782, "atom2_serNum": 6721, "donAcc_type": "standard", "distance": 2.886, "atom1_id": "///A/12/N", "atom2_id": "///A/900/O2B", "atom_pair": "N:O", "residue_pair": "aa:ligand" }, { "index": 415, "atom1_serNum": 2785, "atom2_serNum": 2814, "donAcc_type": "standard", "distance": 3.124, "atom1_id": "///A/12/O", "atom2_id": "///A/16/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 416, "atom1_serNum": 2793, "atom2_serNum": 6711, "donAcc_type": "standard", "distance": 3.207, "atom1_id": "///A/13/N", "atom2_id": "///A/900/O3'", "atom_pair": "N:O", "residue_pair": "aa:ligand" }, { "index": 417, "atom1_serNum": 2796, "atom2_serNum": 2821, "donAcc_type": "standard", "distance": 3.127, "atom1_id": "///A/13/O", "atom2_id": "///A/17/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 418, "atom1_serNum": 2807, "atom2_serNum": 2830, "donAcc_type": "standard", "distance": 2.831, "atom1_id": "///A/14/O", "atom2_id": "///A/18/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 419, "atom1_serNum": 2812, "atom2_serNum": 2838, "donAcc_type": "standard", "distance": 2.886, "atom1_id": "///A/15/O", "atom2_id": "///A/19/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 420, "atom1_serNum": 2817, "atom2_serNum": 2849, "donAcc_type": "standard", "distance": 3.127, "atom1_id": "///A/16/O", "atom2_id": "///A/20/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 421, "atom1_serNum": 2824, "atom2_serNum": 2857, "donAcc_type": "standard", "distance": 2.927, "atom1_id": "///A/17/O", "atom2_id": "///A/21/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 422, "atom1_serNum": 2829, "atom2_serNum": 3261, "donAcc_type": "standard", "distance": 3.148, "atom1_id": "///A/17/OE2", "atom2_id": "///A/75/NE", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 423, "atom1_serNum": 2829, "atom2_serNum": 3300, "donAcc_type": "acceptable", "distance": 2.872, "atom1_id": "///A/17/OE2", "atom2_id": "///A/79/OH", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 424, "atom1_serNum": 2845, "atom2_serNum": 2855, "donAcc_type": "standard", "distance": 2.928, "atom1_id": "///A/19/NE", "atom2_id": "///A/20/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 425, "atom1_serNum": 2847, "atom2_serNum": 3740, "donAcc_type": "standard", "distance": 3.034, "atom1_id": "///A/19/NH1", "atom2_id": "///A/134/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 426, "atom1_serNum": 2848, "atom2_serNum": 2856, "donAcc_type": "standard", "distance": 3.313, "atom1_id": "///A/19/NH2", "atom2_id": "///A/20/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 427, "atom1_serNum": 2856, "atom2_serNum": 3264, "donAcc_type": "standard", "distance": 2.725, "atom1_id": "///A/20/OD2", "atom2_id": "///A/75/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 428, "atom1_serNum": 2860, "atom2_serNum": 2877, "donAcc_type": "standard", "distance": 3.034, "atom1_id": "///A/21/O", "atom2_id": "///A/24/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 429, "atom1_serNum": 2863, "atom2_serNum": 2872, "donAcc_type": "standard", "distance": 3.209, "atom1_id": "///A/21/OD1", "atom2_id": "///A/23/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 430, "atom1_serNum": 2868, "atom2_serNum": 2885, "donAcc_type": "standard", "distance": 3.076, "atom1_id": "///A/22/O", "atom2_id": "///A/25/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 431, "atom1_serNum": 2880, "atom2_serNum": 3040, "donAcc_type": "standard", "distance": 3.910, "atom1_id": "///A/24/O", "atom2_id": "///A/45/ND2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 432, "atom1_serNum": 2907, "atom2_serNum": 3040, "donAcc_type": "standard", "distance": 2.541, "atom1_id": "///A/27/O", "atom2_id": "///A/45/ND2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 433, "atom1_serNum": 2915, "atom2_serNum": 3220, "donAcc_type": "standard", "distance": 2.996, "atom1_id": "///A/28/O", "atom2_id": "///A/70/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 434, "atom1_serNum": 2919, "atom2_serNum": 3039, "donAcc_type": "standard", "distance": 2.963, "atom1_id": "///A/29/N", "atom2_id": "///A/45/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 435, "atom1_serNum": 2922, "atom2_serNum": 3033, "donAcc_type": "standard", "distance": 3.172, "atom1_id": "///A/29/O", "atom2_id": "///A/45/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 436, "atom1_serNum": 2927, "atom2_serNum": 3223, "donAcc_type": "standard", "distance": 2.978, "atom1_id": "///A/30/N", "atom2_id": "///A/70/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 437, "atom1_serNum": 2930, "atom2_serNum": 3235, "donAcc_type": "standard", "distance": 2.767, "atom1_id": "///A/30/O", "atom2_id": "///A/72/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 438, "atom1_serNum": 2932, "atom2_serNum": 3024, "donAcc_type": "standard", "distance": 2.989, "atom1_id": "///A/31/N", "atom2_id": "///A/43/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 439, "atom1_serNum": 2935, "atom2_serNum": 3015, "donAcc_type": "standard", "distance": 2.543, "atom1_id": "///A/31/O", "atom2_id": "///A/42/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 440, "atom1_serNum": 2935, "atom2_serNum": 3021, "donAcc_type": "standard", "distance": 3.425, "atom1_id": "///A/31/O", "atom2_id": "///A/43/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 441, "atom1_serNum": 2940, "atom2_serNum": 3238, "donAcc_type": "standard", "distance": 3.054, "atom1_id": "///A/32/N", "atom2_id": "///A/72/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 442, "atom1_serNum": 2944, "atom2_serNum": 3003, "donAcc_type": "standard", "distance": 3.292, "atom1_id": "///A/33/N", "atom2_id": "///A/40/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 443, "atom1_serNum": 2947, "atom2_serNum": 3149, "donAcc_type": "acceptable", "distance": 2.609, "atom1_id": "///A/33/O", "atom2_id": "///A/59/OG1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 444, "atom1_serNum": 2951, "atom2_serNum": 2985, "donAcc_type": "standard", "distance": 3.265, "atom1_id": "///A/34/O", "atom2_id": "///A/38/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 445, "atom1_serNum": 2951, "atom2_serNum": 2996, "donAcc_type": "standard", "distance": 3.051, "atom1_id": "///A/34/O", "atom2_id": "///A/39/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 446, "atom1_serNum": 2953, "atom2_serNum": 2974, "donAcc_type": "acceptable", "distance": 3.098, "atom1_id": "///A/34/OG", "atom2_id": "///A/37/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 447, "atom1_serNum": 2957, "atom2_serNum": 2985, "donAcc_type": "standard", "distance": 2.705, "atom1_id": "///A/35/O", "atom2_id": "///A/38/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 448, "atom1_serNum": 2964, "atom2_serNum": 3154, "donAcc_type": "standard", "distance": 3.396, "atom1_id": "///A/35/NH2", "atom2_id": "///A/60/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 449, "atom1_serNum": 2983, "atom2_serNum": 4604, "donAcc_type": "standard", "distance": 3.475, "atom1_id": "///A/37/NH1", "atom2_id": "///A/248/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 450, "atom1_serNum": 2992, "atom2_serNum": 4611, "donAcc_type": "standard", "distance": 2.893, "atom1_id": "///A/38/NE", "atom2_id": "///A/249/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 451, "atom1_serNum": 2994, "atom2_serNum": 4636, "donAcc_type": "standard", "distance": 3.003, "atom1_id": "///A/38/NH1", "atom2_id": "///A/252/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 452, "atom1_serNum": 2995, "atom2_serNum": 4611, "donAcc_type": "standard", "distance": 2.850, "atom1_id": "///A/38/NH2", "atom2_id": "///A/249/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 453, "atom1_serNum": 2995, "atom2_serNum": 4636, "donAcc_type": "standard", "distance": 2.708, "atom1_id": "///A/38/NH2", "atom2_id": "///A/252/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 454, "atom1_serNum": 2999, "atom2_serNum": 3144, "donAcc_type": "standard", "distance": 3.005, "atom1_id": "///A/39/O", "atom2_id": "///A/59/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 455, "atom1_serNum": 3007, "atom2_serNum": 3132, "donAcc_type": "standard", "distance": 2.899, "atom1_id": "///A/41/N", "atom2_id": "///A/57/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 456, "atom1_serNum": 3010, "atom2_serNum": 3124, "donAcc_type": "standard", "distance": 2.799, "atom1_id": "///A/41/O", "atom2_id": "///A/56/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 457, "atom1_serNum": 3018, "atom2_serNum": 3123, "donAcc_type": "acceptable", "distance": 2.727, "atom1_id": "///A/42/O", "atom2_id": "///A/55/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 458, "atom1_serNum": 3020, "atom2_serNum": 6702, "donAcc_type": "acceptable", "distance": 3.149, "atom1_id": "///A/42/OG", "atom2_id": "///A/900/O2", "atom_pair": "O:O", "residue_pair": "aa:ligand" }, { "index": 459, "atom1_serNum": 3026, "atom2_serNum": 3075, "donAcc_type": "acceptable", "distance": 3.029, "atom1_id": "///A/43/OG1", "atom2_id": "///A/49/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 460, "atom1_serNum": 3026, "atom2_serNum": 6720, "donAcc_type": "acceptable", "distance": 2.545, "atom1_id": "///A/43/OG1", "atom2_id": "///A/900/O1B", "atom_pair": "O:O", "residue_pair": "aa:ligand" }, { "index": 461, "atom1_serNum": 3031, "atom2_serNum": 3072, "donAcc_type": "standard", "distance": 2.765, "atom1_id": "///A/44/O", "atom2_id": "///A/49/NE", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 462, "atom1_serNum": 3033, "atom2_serNum": 3039, "donAcc_type": "standard", "distance": 2.864, "atom1_id": "///A/45/N", "atom2_id": "///A/45/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 463, "atom1_serNum": 3036, "atom2_serNum": 3065, "donAcc_type": "standard", "distance": 2.867, "atom1_id": "///A/45/O", "atom2_id": "///A/49/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 464, "atom1_serNum": 3039, "atom2_serNum": 3060, "donAcc_type": "standard", "distance": 2.884, "atom1_id": "///A/45/OD1", "atom2_id": "///A/48/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 465, "atom1_serNum": 3044, "atom2_serNum": 3076, "donAcc_type": "standard", "distance": 3.117, "atom1_id": "///A/46/O", "atom2_id": "///A/50/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 466, "atom1_serNum": 3063, "atom2_serNum": 3085, "donAcc_type": "standard", "distance": 3.086, "atom1_id": "///A/48/O", "atom2_id": "///A/51/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 467, "atom1_serNum": 3063, "atom2_serNum": 3100, "donAcc_type": "standard", "distance": 3.413, "atom1_id": "///A/48/O", "atom2_id": "///A/53/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 468, "atom1_serNum": 3068, "atom2_serNum": 3096, "donAcc_type": "standard", "distance": 2.855, "atom1_id": "///A/49/O", "atom2_id": "///A/52/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 469, "atom1_serNum": 3068, "atom2_serNum": 3116, "donAcc_type": "standard", "distance": 2.947, "atom1_id": "///A/49/O", "atom2_id": "///A/54/NH1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 470, "atom1_serNum": 3074, "atom2_serNum": 6726, "donAcc_type": "acceptable", "distance": 3.520, "atom1_id": "///A/49/NH1", "atom2_id": "///A/900/O3G", "atom_pair": "N:O", "residue_pair": "aa:ligand" }, { "index": 471, "atom1_serNum": 3075, "atom2_serNum": 6722, "donAcc_type": "unknown", "distance": 3.305, "atom1_id": "///A/49/NH2", "atom2_id": "///A/900/N3B", "atom_pair": "N:N", "residue_pair": "aa:ligand" }, { "index": 472, "atom1_serNum": 3103, "atom2_serNum": 3116, "donAcc_type": "standard", "distance": 3.044, "atom1_id": "///A/53/O", "atom2_id": "///A/54/NH1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 473, "atom1_serNum": 3110, "atom2_serNum": 3129, "donAcc_type": "standard", "distance": 3.193, "atom1_id": "///A/54/O", "atom2_id": "///A/57/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 474, "atom1_serNum": 3140, "atom2_serNum": 3155, "donAcc_type": "standard", "distance": 2.892, "atom1_id": "///A/58/O", "atom2_id": "///A/61/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 475, "atom1_serNum": 3140, "atom2_serNum": 3163, "donAcc_type": "standard", "distance": 2.967, "atom1_id": "///A/58/O", "atom2_id": "///A/62/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 476, "atom1_serNum": 3147, "atom2_serNum": 3168, "donAcc_type": "standard", "distance": 2.882, "atom1_id": "///A/59/O", "atom2_id": "///A/63/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 477, "atom1_serNum": 3154, "atom2_serNum": 3176, "donAcc_type": "standard", "distance": 3.150, "atom1_id": "///A/60/O", "atom2_id": "///A/64/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 478, "atom1_serNum": 3158, "atom2_serNum": 3181, "donAcc_type": "standard", "distance": 2.995, "atom1_id": "///A/61/O", "atom2_id": "///A/65/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 479, "atom1_serNum": 3166, "atom2_serNum": 3189, "donAcc_type": "standard", "distance": 2.955, "atom1_id": "///A/62/O", "atom2_id": "///A/66/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 480, "atom1_serNum": 3192, "atom2_serNum": 3212, "donAcc_type": "standard", "distance": 2.909, "atom1_id": "///A/66/O", "atom2_id": "///A/69/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 481, "atom1_serNum": 3257, "atom2_serNum": 3284, "donAcc_type": "standard", "distance": 2.924, "atom1_id": "///A/75/O", "atom2_id": "///A/78/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 482, "atom1_serNum": 3257, "atom2_serNum": 3289, "donAcc_type": "standard", "distance": 3.177, "atom1_id": "///A/75/O", "atom2_id": "///A/79/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 483, "atom1_serNum": 3268, "atom2_serNum": 3301, "donAcc_type": "standard", "distance": 2.780, "atom1_id": "///A/76/O", "atom2_id": "///A/80/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 484, "atom1_serNum": 3279, "atom2_serNum": 3310, "donAcc_type": "standard", "distance": 3.167, "atom1_id": "///A/77/O", "atom2_id": "///A/81/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 485, "atom1_serNum": 3287, "atom2_serNum": 3319, "donAcc_type": "standard", "distance": 3.250, "atom1_id": "///A/78/O", "atom2_id": "///A/82/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 486, "atom1_serNum": 3292, "atom2_serNum": 3324, "donAcc_type": "standard", "distance": 3.090, "atom1_id": "///A/79/O", "atom2_id": "///A/83/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 487, "atom1_serNum": 3304, "atom2_serNum": 3330, "donAcc_type": "standard", "distance": 2.853, "atom1_id": "///A/80/O", "atom2_id": "///A/84/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 488, "atom1_serNum": 3313, "atom2_serNum": 3338, "donAcc_type": "standard", "distance": 2.997, "atom1_id": "///A/81/O", "atom2_id": "///A/85/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 489, "atom1_serNum": 3322, "atom2_serNum": 3348, "donAcc_type": "standard", "distance": 2.805, "atom1_id": "///A/82/O", "atom2_id": "///A/86/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 490, "atom1_serNum": 3327, "atom2_serNum": 3356, "donAcc_type": "standard", "distance": 3.058, "atom1_id": "///A/83/O", "atom2_id": "///A/87/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 491, "atom1_serNum": 3329, "atom2_serNum": 3489, "donAcc_type": "acceptable", "distance": 2.657, "atom1_id": "///A/83/OG", "atom2_id": "///A/102/O", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 492, "atom1_serNum": 3333, "atom2_serNum": 3367, "donAcc_type": "standard", "distance": 2.969, "atom1_id": "///A/84/O", "atom2_id": "///A/88/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 493, "atom1_serNum": 3341, "atom2_serNum": 3376, "donAcc_type": "standard", "distance": 3.045, "atom1_id": "///A/85/O", "atom2_id": "///A/89/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 494, "atom1_serNum": 3347, "atom2_serNum": 3735, "donAcc_type": "standard", "distance": 2.751, "atom1_id": "///A/85/NE2", "atom2_id": "///A/133/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 495, "atom1_serNum": 3351, "atom2_serNum": 3384, "donAcc_type": "standard", "distance": 3.054, "atom1_id": "///A/86/O", "atom2_id": "///A/90/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 496, "atom1_serNum": 3359, "atom2_serNum": 3395, "donAcc_type": "standard", "distance": 3.181, "atom1_id": "///A/87/O", "atom2_id": "///A/91/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 497, "atom1_serNum": 3370, "atom2_serNum": 3400, "donAcc_type": "acceptable", "distance": 3.001, "atom1_id": "///A/88/O", "atom2_id": "///A/91/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 498, "atom1_serNum": 3374, "atom2_serNum": 3408, "donAcc_type": "standard", "distance": 2.728, "atom1_id": "///A/88/OE1", "atom2_id": "///A/92/NE", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 499, "atom1_serNum": 3375, "atom2_serNum": 3411, "donAcc_type": "standard", "distance": 3.115, "atom1_id": "///A/88/OE2", "atom2_id": "///A/92/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 500, "atom1_serNum": 3379, "atom2_serNum": 3401, "donAcc_type": "standard", "distance": 2.985, "atom1_id": "///A/89/O", "atom2_id": "///A/92/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 501, "atom1_serNum": 3387, "atom2_serNum": 3412, "donAcc_type": "standard", "distance": 3.025, "atom1_id": "///A/90/O", "atom2_id": "///A/93/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 502, "atom1_serNum": 3387, "atom2_serNum": 3424, "donAcc_type": "standard", "distance": 3.285, "atom1_id": "///A/90/O", "atom2_id": "///A/94/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 503, "atom1_serNum": 3410, "atom2_serNum": 3736, "donAcc_type": "standard", "distance": 3.028, "atom1_id": "///A/92/NH1", "atom2_id": "///A/133/OE2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 504, "atom1_serNum": 3411, "atom2_serNum": 3735, "donAcc_type": "standard", "distance": 3.187, "atom1_id": "///A/92/NH2", "atom2_id": "///A/133/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 505, "atom1_serNum": 3423, "atom2_serNum": 3665, "donAcc_type": "acceptable", "distance": 3.193, "atom1_id": "///A/93/OH", "atom2_id": "///A/125/OE2", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 506, "atom1_serNum": 3423, "atom2_serNum": 3699, "donAcc_type": "acceptable", "distance": 3.830, "atom1_id": "///A/93/OH", "atom2_id": "///A/129/OG1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 507, "atom1_serNum": 3429, "atom2_serNum": 3437, "donAcc_type": "acceptable", "distance": 2.951, "atom1_id": "///A/94/OG1", "atom2_id": "///A/96/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 508, "atom1_serNum": 3429, "atom2_serNum": 3539, "donAcc_type": "acceptable", "distance": 3.276, "atom1_id": "///A/94/OG1", "atom2_id": "///A/108/O", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 509, "atom1_serNum": 3434, "atom2_serNum": 3448, "donAcc_type": "standard", "distance": 3.043, "atom1_id": "///A/95/O", "atom2_id": "///A/97/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 510, "atom1_serNum": 3440, "atom2_serNum": 3536, "donAcc_type": "standard", "distance": 3.121, "atom1_id": "///A/96/O", "atom2_id": "///A/108/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 511, "atom1_serNum": 3446, "atom2_serNum": 4491, "donAcc_type": "standard", "distance": 2.975, "atom1_id": "///A/96/NH1", "atom2_id": "///A/234/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 512, "atom1_serNum": 3447, "atom2_serNum": 4487, "donAcc_type": "standard", "distance": 3.112, "atom1_id": "///A/96/NH2", "atom2_id": "///A/233/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 513, "atom1_serNum": 3447, "atom2_serNum": 4491, "donAcc_type": "standard", "distance": 3.300, "atom1_id": "///A/96/NH2", "atom2_id": "///A/234/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 514, "atom1_serNum": 3456, "atom2_serNum": 3519, "donAcc_type": "standard", "distance": 2.984, "atom1_id": "///A/98/N", "atom2_id": "///A/106/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 515, "atom1_serNum": 3459, "atom2_serNum": 3516, "donAcc_type": "standard", "distance": 3.008, "atom1_id": "///A/98/O", "atom2_id": "///A/106/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 516, "atom1_serNum": 3463, "atom2_serNum": 3823, "donAcc_type": "standard", "distance": 2.748, "atom1_id": "///A/98/OE1", "atom2_id": "///A/146/NZ", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 517, "atom1_serNum": 3463, "atom2_serNum": 4495, "donAcc_type": "standard", "distance": 2.790, "atom1_id": "///A/98/OE1", "atom2_id": "///A/235/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 518, "atom1_serNum": 3464, "atom2_serNum": 4527, "donAcc_type": "standard", "distance": 2.846, "atom1_id": "///A/98/OE2", "atom2_id": "///A/238/NH1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 519, "atom1_serNum": 3472, "atom2_serNum": 3505, "donAcc_type": "standard", "distance": 2.921, "atom1_id": "///A/100/N", "atom2_id": "///A/104/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 520, "atom1_serNum": 3485, "atom2_serNum": 3500, "donAcc_type": "acceptable", "distance": 3.123, "atom1_id": "///A/101/OG", "atom2_id": "///A/103/OD1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 521, "atom1_serNum": 3485, "atom2_serNum": 6656, "donAcc_type": "acceptable", "distance": 2.858, "atom1_id": "///A/101/OG", "atom2_id": "///C/873/O3'", "atom_pair": "O:O", "residue_pair": "aa:nt" }, { "index": 522, "atom1_serNum": 3500, "atom2_serNum": 6656, "donAcc_type": "questionable", "distance": 3.216, "atom1_id": "///A/103/OD1", "atom2_id": "///C/873/O3'", "atom_pair": "O:O", "residue_pair": "aa:nt" }, { "index": 523, "atom1_serNum": 3509, "atom2_serNum": 6649, "donAcc_type": "questionable", "distance": 2.916, "atom1_id": "///A/104/OE1", "atom2_id": "///C/873/OP1", "atom_pair": "O:O", "residue_pair": "aa:nt" }, { "index": 524, "atom1_serNum": 3510, "atom2_serNum": 6717, "donAcc_type": "questionable", "distance": 3.198, "atom1_id": "///A/104/OE2", "atom2_id": "///A/900/O2A", "atom_pair": "O:O", "residue_pair": "aa:ligand" }, { "index": 525, "atom1_serNum": 3542, "atom2_serNum": 3551, "donAcc_type": "standard", "distance": 2.915, "atom1_id": "///A/108/OD1", "atom2_id": "///A/110/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 526, "atom1_serNum": 3542, "atom2_serNum": 3556, "donAcc_type": "acceptable", "distance": 2.674, "atom1_id": "///A/108/OD1", "atom2_id": "///A/110/OG1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 527, "atom1_serNum": 3547, "atom2_serNum": 3566, "donAcc_type": "standard", "distance": 3.202, "atom1_id": "///A/109/O", "atom2_id": "///A/112/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 528, "atom1_serNum": 3571, "atom2_serNum": 3579, "donAcc_type": "acceptable", "distance": 2.819, "atom1_id": "///A/112/OG", "atom2_id": "///A/114/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 529, "atom1_serNum": 3582, "atom2_serNum": 3605, "donAcc_type": "standard", "distance": 2.734, "atom1_id": "///A/114/O", "atom2_id": "///A/117/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 530, "atom1_serNum": 3592, "atom2_serNum": 3609, "donAcc_type": "standard", "distance": 3.076, "atom1_id": "///A/115/O", "atom2_id": "///A/118/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 531, "atom1_serNum": 3608, "atom2_serNum": 3615, "donAcc_type": "standard", "distance": 3.244, "atom1_id": "///A/117/O", "atom2_id": "///A/119/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 532, "atom1_serNum": 3612, "atom2_serNum": 3635, "donAcc_type": "standard", "distance": 3.008, "atom1_id": "///A/118/O", "atom2_id": "///A/122/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 533, "atom1_serNum": 3614, "atom2_serNum": 3627, "donAcc_type": "acceptable", "distance": 2.820, "atom1_id": "///A/118/OG", "atom2_id": "///A/121/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 534, "atom1_serNum": 3618, "atom2_serNum": 3643, "donAcc_type": "standard", "distance": 3.073, "atom1_id": "///A/119/O", "atom2_id": "///A/123/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 535, "atom1_serNum": 3623, "atom2_serNum": 3648, "donAcc_type": "standard", "distance": 3.019, "atom1_id": "///A/120/O", "atom2_id": "///A/124/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 536, "atom1_serNum": 3623, "atom2_serNum": 3936, "donAcc_type": "standard", "distance": 3.194, "atom1_id": "///A/120/O", "atom2_id": "///A/161/NE2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 537, "atom1_serNum": 3630, "atom2_serNum": 3657, "donAcc_type": "standard", "distance": 2.811, "atom1_id": "///A/121/O", "atom2_id": "///A/125/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 538, "atom1_serNum": 3638, "atom2_serNum": 3666, "donAcc_type": "standard", "distance": 2.871, "atom1_id": "///A/122/O", "atom2_id": "///A/126/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 539, "atom1_serNum": 3646, "atom2_serNum": 3674, "donAcc_type": "standard", "distance": 3.004, "atom1_id": "///A/123/O", "atom2_id": "///A/127/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 540, "atom1_serNum": 3648, "atom2_serNum": 3935, "donAcc_type": "standard", "distance": 3.009, "atom1_id": "///A/124/N", "atom2_id": "///A/161/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 541, "atom1_serNum": 3651, "atom2_serNum": 3685, "donAcc_type": "standard", "distance": 3.024, "atom1_id": "///A/124/O", "atom2_id": "///A/128/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 542, "atom1_serNum": 3656, "atom2_serNum": 3684, "donAcc_type": "questionable", "distance": 3.106, "atom1_id": "///A/124/NE2", "atom2_id": "///A/127/NH2", "atom_pair": "N:N", "residue_pair": "aa:aa" }, { "index": 543, "atom1_serNum": 3660, "atom2_serNum": 3694, "donAcc_type": "standard", "distance": 2.778, "atom1_id": "///A/125/O", "atom2_id": "///A/129/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 544, "atom1_serNum": 3660, "atom2_serNum": 3699, "donAcc_type": "acceptable", "distance": 2.613, "atom1_id": "///A/125/O", "atom2_id": "///A/129/OG1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 545, "atom1_serNum": 3669, "atom2_serNum": 3701, "donAcc_type": "standard", "distance": 2.793, "atom1_id": "///A/126/O", "atom2_id": "///A/130/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 546, "atom1_serNum": 3677, "atom2_serNum": 3709, "donAcc_type": "standard", "distance": 2.953, "atom1_id": "///A/127/O", "atom2_id": "///A/131/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 547, "atom1_serNum": 3681, "atom2_serNum": 3935, "donAcc_type": "standard", "distance": 3.177, "atom1_id": "///A/127/NE", "atom2_id": "///A/161/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 548, "atom1_serNum": 3683, "atom2_serNum": 3772, "donAcc_type": "standard", "distance": 3.214, "atom1_id": "///A/127/NH1", "atom2_id": "///A/138/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 549, "atom1_serNum": 3683, "atom2_serNum": 3922, "donAcc_type": "standard", "distance": 2.829, "atom1_id": "///A/127/NH1", "atom2_id": "///A/159/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 550, "atom1_serNum": 3688, "atom2_serNum": 3720, "donAcc_type": "standard", "distance": 2.989, "atom1_id": "///A/128/O", "atom2_id": "///A/132/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 551, "atom1_serNum": 3693, "atom2_serNum": 3726, "donAcc_type": "standard", "distance": 2.907, "atom1_id": "///A/128/NE2", "atom2_id": "///A/132/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 552, "atom1_serNum": 3704, "atom2_serNum": 3737, "donAcc_type": "standard", "distance": 3.165, "atom1_id": "///A/130/O", "atom2_id": "///A/134/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 553, "atom1_serNum": 3712, "atom2_serNum": 3745, "donAcc_type": "standard", "distance": 2.609, "atom1_id": "///A/131/O", "atom2_id": "///A/135/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 554, "atom1_serNum": 3723, "atom2_serNum": 3737, "donAcc_type": "standard", "distance": 2.823, "atom1_id": "///A/132/O", "atom2_id": "///A/134/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 555, "atom1_serNum": 3780, "atom2_serNum": 3927, "donAcc_type": "standard", "distance": 3.053, "atom1_id": "///A/140/N", "atom2_id": "///A/160/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 556, "atom1_serNum": 3783, "atom2_serNum": 3937, "donAcc_type": "standard", "distance": 3.083, "atom1_id": "///A/140/O", "atom2_id": "///A/162/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 557, "atom1_serNum": 3789, "atom2_serNum": 3940, "donAcc_type": "standard", "distance": 2.922, "atom1_id": "///A/142/N", "atom2_id": "///A/162/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 558, "atom1_serNum": 3792, "atom2_serNum": 3955, "donAcc_type": "standard", "distance": 2.778, "atom1_id": "///A/142/O", "atom2_id": "///A/164/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 559, "atom1_serNum": 3811, "atom2_serNum": 3843, "donAcc_type": "standard", "distance": 3.167, "atom1_id": "///A/145/O", "atom2_id": "///A/149/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 560, "atom1_serNum": 3818, "atom2_serNum": 3843, "donAcc_type": "standard", "distance": 2.963, "atom1_id": "///A/146/O", "atom2_id": "///A/149/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 561, "atom1_serNum": 3818, "atom2_serNum": 3848, "donAcc_type": "standard", "distance": 2.933, "atom1_id": "///A/146/O", "atom2_id": "///A/150/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 562, "atom1_serNum": 3824, "atom2_serNum": 4459, "donAcc_type": "standard", "distance": 3.005, "atom1_id": "///A/147/N", "atom2_id": "///A/230/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 563, "atom1_serNum": 3827, "atom2_serNum": 3857, "donAcc_type": "standard", "distance": 2.960, "atom1_id": "///A/147/O", "atom2_id": "///A/151/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 564, "atom1_serNum": 3838, "atom2_serNum": 3865, "donAcc_type": "standard", "distance": 2.859, "atom1_id": "///A/148/O", "atom2_id": "///A/152/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 565, "atom1_serNum": 3846, "atom2_serNum": 3870, "donAcc_type": "standard", "distance": 3.056, "atom1_id": "///A/149/O", "atom2_id": "///A/153/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 566, "atom1_serNum": 3851, "atom2_serNum": 3875, "donAcc_type": "acceptable", "distance": 2.734, "atom1_id": "///A/150/O", "atom2_id": "///A/153/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 567, "atom1_serNum": 3851, "atom2_serNum": 3876, "donAcc_type": "standard", "distance": 3.747, "atom1_id": "///A/150/O", "atom2_id": "///A/154/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 568, "atom1_serNum": 3856, "atom2_serNum": 6649, "donAcc_type": "standard", "distance": 2.763, "atom1_id": "///A/150/NZ", "atom2_id": "///C/873/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 569, "atom1_serNum": 3860, "atom2_serNum": 3876, "donAcc_type": "standard", "distance": 3.119, "atom1_id": "///A/151/O", "atom2_id": "///A/154/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 570, "atom1_serNum": 3868, "atom2_serNum": 3884, "donAcc_type": "standard", "distance": 3.134, "atom1_id": "///A/152/O", "atom2_id": "///A/155/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 571, "atom1_serNum": 3899, "atom2_serNum": 3931, "donAcc_type": "standard", "distance": 2.803, "atom1_id": "///A/156/ND2", "atom2_id": "///A/161/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 572, "atom1_serNum": 3966, "atom2_serNum": 3982, "donAcc_type": "standard", "distance": 2.901, "atom1_id": "///A/165/O", "atom2_id": "///A/168/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 573, "atom1_serNum": 3966, "atom2_serNum": 3991, "donAcc_type": "standard", "distance": 3.350, "atom1_id": "///A/165/O", "atom2_id": "///A/169/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 574, "atom1_serNum": 3973, "atom2_serNum": 3991, "donAcc_type": "standard", "distance": 3.249, "atom1_id": "///A/166/O", "atom2_id": "///A/169/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 575, "atom1_serNum": 3985, "atom2_serNum": 4010, "donAcc_type": "standard", "distance": 2.992, "atom1_id": "///A/168/O", "atom2_id": "///A/172/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 576, "atom1_serNum": 3994, "atom2_serNum": 4021, "donAcc_type": "standard", "distance": 2.870, "atom1_id": "///A/169/O", "atom2_id": "///A/173/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 577, "atom1_serNum": 4001, "atom2_serNum": 4029, "donAcc_type": "standard", "distance": 3.135, "atom1_id": "///A/170/O", "atom2_id": "///A/174/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 578, "atom1_serNum": 4024, "atom2_serNum": 4045, "donAcc_type": "standard", "distance": 2.890, "atom1_id": "///A/173/O", "atom2_id": "///A/176/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 579, "atom1_serNum": 4032, "atom2_serNum": 4211, "donAcc_type": "acceptable", "distance": 3.367, "atom1_id": "///A/174/O", "atom2_id": "///A/199/OG1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 580, "atom1_serNum": 4032, "atom2_serNum": 4219, "donAcc_type": "standard", "distance": 3.133, "atom1_id": "///A/174/O", "atom2_id": "///A/201/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 581, "atom1_serNum": 4041, "atom2_serNum": 4053, "donAcc_type": "standard", "distance": 3.263, "atom1_id": "///A/175/O", "atom2_id": "///A/177/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 582, "atom1_serNum": 4048, "atom2_serNum": 4213, "donAcc_type": "standard", "distance": 2.817, "atom1_id": "///A/176/O", "atom2_id": "///A/200/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 583, "atom1_serNum": 4056, "atom2_serNum": 4073, "donAcc_type": "standard", "distance": 2.899, "atom1_id": "///A/177/O", "atom2_id": "///A/180/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 584, "atom1_serNum": 4060, "atom2_serNum": 4198, "donAcc_type": "standard", "distance": 2.893, "atom1_id": "///A/178/N", "atom2_id": "///A/198/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 585, "atom1_serNum": 4063, "atom2_serNum": 4082, "donAcc_type": "standard", "distance": 2.886, "atom1_id": "///A/178/O", "atom2_id": "///A/181/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 586, "atom1_serNum": 4085, "atom2_serNum": 4101, "donAcc_type": "standard", "distance": 2.805, "atom1_id": "///A/181/O", "atom2_id": "///A/184/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 587, "atom1_serNum": 4097, "atom2_serNum": 6630, "donAcc_type": "standard", "distance": 2.674, "atom1_id": "///A/183/N", "atom2_id": "///C/872/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 588, "atom1_serNum": 4108, "atom2_serNum": 6611, "donAcc_type": "standard", "distance": 2.981, "atom1_id": "///A/185/N", "atom2_id": "///C/871/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 589, "atom1_serNum": 4111, "atom2_serNum": 4134, "donAcc_type": "standard", "distance": 2.911, "atom1_id": "///A/185/O", "atom2_id": "///A/189/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 590, "atom1_serNum": 4115, "atom2_serNum": 4139, "donAcc_type": "standard", "distance": 2.923, "atom1_id": "///A/186/O", "atom2_id": "///A/190/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 591, "atom1_serNum": 4121, "atom2_serNum": 6612, "donAcc_type": "standard", "distance": 2.937, "atom1_id": "///A/187/N", "atom2_id": "///C/871/OP2", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 592, "atom1_serNum": 4124, "atom2_serNum": 4144, "donAcc_type": "standard", "distance": 3.033, "atom1_id": "///A/187/O", "atom2_id": "///A/191/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 593, "atom1_serNum": 4128, "atom2_serNum": 6611, "donAcc_type": "standard", "distance": 2.917, "atom1_id": "///A/188/N", "atom2_id": "///C/871/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 594, "atom1_serNum": 4131, "atom2_serNum": 4153, "donAcc_type": "standard", "distance": 2.918, "atom1_id": "///A/188/O", "atom2_id": "///A/192/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 595, "atom1_serNum": 4133, "atom2_serNum": 6611, "donAcc_type": "acceptable", "distance": 2.642, "atom1_id": "///A/188/OG", "atom2_id": "///C/871/OP1", "atom_pair": "O:O", "residue_pair": "aa:nt" }, { "index": 596, "atom1_serNum": 4137, "atom2_serNum": 4161, "donAcc_type": "standard", "distance": 2.794, "atom1_id": "///A/189/O", "atom2_id": "///A/193/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 597, "atom1_serNum": 4142, "atom2_serNum": 4170, "donAcc_type": "standard", "distance": 2.884, "atom1_id": "///A/190/O", "atom2_id": "///A/194/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 598, "atom1_serNum": 4156, "atom2_serNum": 4175, "donAcc_type": "standard", "distance": 2.810, "atom1_id": "///A/192/O", "atom2_id": "///A/195/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 599, "atom1_serNum": 4156, "atom2_serNum": 4183, "donAcc_type": "standard", "distance": 3.258, "atom1_id": "///A/192/O", "atom2_id": "///A/196/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 600, "atom1_serNum": 4156, "atom2_serNum": 4187, "donAcc_type": "standard", "distance": 3.009, "atom1_id": "///A/192/O", "atom2_id": "///A/197/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 601, "atom1_serNum": 4164, "atom2_serNum": 4183, "donAcc_type": "standard", "distance": 2.989, "atom1_id": "///A/193/O", "atom2_id": "///A/196/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 602, "atom1_serNum": 4169, "atom2_serNum": 4190, "donAcc_type": "questionable", "distance": 2.640, "atom1_id": "///A/193/OE2", "atom2_id": "///A/197/O", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 603, "atom1_serNum": 4195, "atom2_serNum": 4230, "donAcc_type": "standard", "distance": 2.655, "atom1_id": "///A/198/N", "atom2_id": "///A/202/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 604, "atom1_serNum": 4206, "atom2_serNum": 4230, "donAcc_type": "standard", "distance": 2.859, "atom1_id": "///A/199/N", "atom2_id": "///A/202/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 605, "atom1_serNum": 4209, "atom2_serNum": 4231, "donAcc_type": "standard", "distance": 3.272, "atom1_id": "///A/199/O", "atom2_id": "///A/203/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 606, "atom1_serNum": 4211, "atom2_serNum": 4223, "donAcc_type": "acceptable", "distance": 3.156, "atom1_id": "///A/199/OG1", "atom2_id": "///A/202/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 607, "atom1_serNum": 4216, "atom2_serNum": 4238, "donAcc_type": "standard", "distance": 2.971, "atom1_id": "///A/200/O", "atom2_id": "///A/204/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 608, "atom1_serNum": 4216, "atom2_serNum": 4430, "donAcc_type": "acceptable", "distance": 3.762, "atom1_id": "///A/200/O", "atom2_id": "///A/226/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 609, "atom1_serNum": 4222, "atom2_serNum": 4247, "donAcc_type": "standard", "distance": 3.594, "atom1_id": "///A/201/O", "atom2_id": "///A/205/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 610, "atom1_serNum": 4246, "atom2_serNum": 4428, "donAcc_type": "standard", "distance": 2.734, "atom1_id": "///A/204/NE2", "atom2_id": "///A/226/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 611, "atom1_serNum": 4261, "atom2_serNum": 4399, "donAcc_type": "standard", "distance": 3.661, "atom1_id": "///A/207/O", "atom2_id": "///A/223/NE1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 612, "atom1_serNum": 4265, "atom2_serNum": 4281, "donAcc_type": "standard", "distance": 3.175, "atom1_id": "///A/207/OD2", "atom2_id": "///A/210/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 613, "atom1_serNum": 4269, "atom2_serNum": 4297, "donAcc_type": "standard", "distance": 2.775, "atom1_id": "///A/208/O", "atom2_id": "///A/212/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 614, "atom1_serNum": 4277, "atom2_serNum": 4305, "donAcc_type": "standard", "distance": 2.770, "atom1_id": "///A/209/O", "atom2_id": "///A/213/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 615, "atom1_serNum": 4284, "atom2_serNum": 4314, "donAcc_type": "standard", "distance": 2.624, "atom1_id": "///A/210/O", "atom2_id": "///A/214/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 616, "atom1_serNum": 4292, "atom2_serNum": 4325, "donAcc_type": "standard", "distance": 2.785, "atom1_id": "///A/211/O", "atom2_id": "///A/215/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 617, "atom1_serNum": 4300, "atom2_serNum": 4336, "donAcc_type": "standard", "distance": 2.781, "atom1_id": "///A/212/O", "atom2_id": "///A/216/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 618, "atom1_serNum": 4339, "atom2_serNum": 4360, "donAcc_type": "standard", "distance": 2.862, "atom1_id": "///A/216/O", "atom2_id": "///A/219/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 619, "atom1_serNum": 4339, "atom2_serNum": 4364, "donAcc_type": "standard", "distance": 3.493, "atom1_id": "///A/216/O", "atom2_id": "///A/220/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 620, "atom1_serNum": 4340, "atom2_serNum": 6176, "donAcc_type": "standard", "distance": 3.129, "atom1_id": "///A/217/N", "atom2_id": "///B/847/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 621, "atom1_serNum": 4343, "atom2_serNum": 4364, "donAcc_type": "standard", "distance": 3.098, "atom1_id": "///A/217/O", "atom2_id": "///A/220/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 622, "atom1_serNum": 4343, "atom2_serNum": 4375, "donAcc_type": "standard", "distance": 3.156, "atom1_id": "///A/217/O", "atom2_id": "///A/221/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 623, "atom1_serNum": 4348, "atom2_serNum": 6157, "donAcc_type": "standard", "distance": 3.130, "atom1_id": "///A/217/NZ", "atom2_id": "///B/846/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 624, "atom1_serNum": 4352, "atom2_serNum": 4383, "donAcc_type": "standard", "distance": 2.875, "atom1_id": "///A/218/O", "atom2_id": "///A/222/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 625, "atom1_serNum": 4363, "atom2_serNum": 4391, "donAcc_type": "standard", "distance": 3.030, "atom1_id": "///A/219/O", "atom2_id": "///A/223/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 626, "atom1_serNum": 4367, "atom2_serNum": 4405, "donAcc_type": "standard", "distance": 2.950, "atom1_id": "///A/220/O", "atom2_id": "///A/224/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 627, "atom1_serNum": 4378, "atom2_serNum": 4414, "donAcc_type": "standard", "distance": 2.946, "atom1_id": "///A/221/O", "atom2_id": "///A/225/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 628, "atom1_serNum": 4386, "atom2_serNum": 4425, "donAcc_type": "standard", "distance": 3.050, "atom1_id": "///A/222/O", "atom2_id": "///A/226/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 629, "atom1_serNum": 4394, "atom2_serNum": 4439, "donAcc_type": "standard", "distance": 3.283, "atom1_id": "///A/223/O", "atom2_id": "///A/227/NE2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 630, "atom1_serNum": 4408, "atom2_serNum": 4431, "donAcc_type": "standard", "distance": 2.777, "atom1_id": "///A/224/O", "atom2_id": "///A/227/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 631, "atom1_serNum": 4408, "atom2_serNum": 4440, "donAcc_type": "standard", "distance": 3.331, "atom1_id": "///A/224/O", "atom2_id": "///A/228/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 632, "atom1_serNum": 4408, "atom2_serNum": 4444, "donAcc_type": "standard", "distance": 3.042, "atom1_id": "///A/224/O", "atom2_id": "///A/229/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 633, "atom1_serNum": 4417, "atom2_serNum": 4440, "donAcc_type": "standard", "distance": 2.831, "atom1_id": "///A/225/O", "atom2_id": "///A/228/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 634, "atom1_serNum": 4458, "atom2_serNum": 4469, "donAcc_type": "standard", "distance": 3.241, "atom1_id": "///A/230/OD1", "atom2_id": "///A/232/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 635, "atom1_serNum": 4458, "atom2_serNum": 4476, "donAcc_type": "standard", "distance": 2.778, "atom1_id": "///A/230/OD1", "atom2_id": "///A/232/NE", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 636, "atom1_serNum": 4459, "atom2_serNum": 4479, "donAcc_type": "standard", "distance": 2.695, "atom1_id": "///A/230/OD2", "atom2_id": "///A/232/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 637, "atom1_serNum": 4501, "atom2_serNum": 4509, "donAcc_type": "standard", "distance": 2.593, "atom1_id": "///A/235/OD1", "atom2_id": "///A/237/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 638, "atom1_serNum": 4528, "atom2_serNum": 6125, "donAcc_type": "standard", "distance": 3.107, "atom1_id": "///A/238/NH2", "atom2_id": "///B/844/O3'", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 639, "atom1_serNum": 4548, "atom2_serNum": 6118, "donAcc_type": "standard", "distance": 2.818, "atom1_id": "///A/241/N", "atom2_id": "///B/844/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 640, "atom1_serNum": 4551, "atom2_serNum": 5345, "donAcc_type": "standard", "distance": 2.926, "atom1_id": "///A/241/O", "atom2_id": "///A/338/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 641, "atom1_serNum": 4562, "atom2_serNum": 6119, "donAcc_type": "acceptable", "distance": 2.585, "atom1_id": "///A/242/OG", "atom2_id": "///B/844/OP2", "atom_pair": "O:O", "residue_pair": "aa:nt" }, { "index": 642, "atom1_serNum": 4563, "atom2_serNum": 5334, "donAcc_type": "standard", "distance": 2.978, "atom1_id": "///A/243/N", "atom2_id": "///A/336/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 643, "atom1_serNum": 4566, "atom2_serNum": 5331, "donAcc_type": "standard", "distance": 2.909, "atom1_id": "///A/243/O", "atom2_id": "///A/336/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 644, "atom1_serNum": 4570, "atom2_serNum": 6097, "donAcc_type": "standard", "distance": 2.851, "atom1_id": "///A/244/N", "atom2_id": "///B/843/OP2", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 645, "atom1_serNum": 4573, "atom2_serNum": 4824, "donAcc_type": "standard", "distance": 3.195, "atom1_id": "///A/244/O", "atom2_id": "///A/273/NH1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 646, "atom1_serNum": 4574, "atom2_serNum": 5316, "donAcc_type": "standard", "distance": 2.954, "atom1_id": "///A/245/N", "atom2_id": "///A/334/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 647, "atom1_serNum": 4577, "atom2_serNum": 5313, "donAcc_type": "standard", "distance": 2.705, "atom1_id": "///A/245/O", "atom2_id": "///A/334/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 648, "atom1_serNum": 4581, "atom2_serNum": 6075, "donAcc_type": "standard", "distance": 2.673, "atom1_id": "///A/246/N", "atom2_id": "///B/842/OP2", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 649, "atom1_serNum": 4588, "atom2_serNum": 4947, "donAcc_type": "standard", "distance": 3.215, "atom1_id": "///A/246/OE1", "atom2_id": "///A/289/NZ", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 650, "atom1_serNum": 4589, "atom2_serNum": 4947, "donAcc_type": "standard", "distance": 3.088, "atom1_id": "///A/246/OE2", "atom2_id": "///A/289/NZ", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 651, "atom1_serNum": 4590, "atom2_serNum": 5305, "donAcc_type": "standard", "distance": 3.053, "atom1_id": "///A/247/N", "atom2_id": "///A/332/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 652, "atom1_serNum": 4593, "atom2_serNum": 5302, "donAcc_type": "standard", "distance": 3.067, "atom1_id": "///A/247/O", "atom2_id": "///A/332/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 653, "atom1_serNum": 4601, "atom2_serNum": 6052, "donAcc_type": "standard", "distance": 2.831, "atom1_id": "///A/248/N", "atom2_id": "///B/841/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 654, "atom1_serNum": 4606, "atom2_serNum": 6053, "donAcc_type": "acceptable", "distance": 2.764, "atom1_id": "///A/248/OG1", "atom2_id": "///B/841/OP2", "atom_pair": "O:O", "residue_pair": "aa:nt" }, { "index": 655, "atom1_serNum": 4608, "atom2_serNum": 5286, "donAcc_type": "standard", "distance": 2.860, "atom1_id": "///A/249/N", "atom2_id": "///A/330/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 656, "atom1_serNum": 4638, "atom2_serNum": 5279, "donAcc_type": "standard", "distance": 2.784, "atom1_id": "///A/253/N", "atom2_id": "///A/329/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 657, "atom1_serNum": 4641, "atom2_serNum": 5276, "donAcc_type": "standard", "distance": 3.054, "atom1_id": "///A/253/O", "atom2_id": "///A/329/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 658, "atom1_serNum": 4646, "atom2_serNum": 4693, "donAcc_type": "standard", "distance": 3.175, "atom1_id": "///A/254/N", "atom2_id": "///A/258/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 659, "atom1_serNum": 4656, "atom2_serNum": 4662, "donAcc_type": "acceptable", "distance": 2.969, "atom1_id": "///A/255/N", "atom2_id": "///A/255/ND1", "atom_pair": "N:N", "residue_pair": "aa:aa" }, { "index": 660, "atom1_serNum": 4656, "atom2_serNum": 4693, "donAcc_type": "standard", "distance": 3.211, "atom1_id": "///A/255/N", "atom2_id": "///A/258/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 661, "atom1_serNum": 4659, "atom2_serNum": 4686, "donAcc_type": "standard", "distance": 2.989, "atom1_id": "///A/255/O", "atom2_id": "///A/258/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 662, "atom1_serNum": 4659, "atom2_serNum": 4695, "donAcc_type": "standard", "distance": 3.376, "atom1_id": "///A/255/O", "atom2_id": "///A/259/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 663, "atom1_serNum": 4665, "atom2_serNum": 5412, "donAcc_type": "standard", "distance": 3.805, "atom1_id": "///A/255/NE2", "atom2_id": "///G/839/O4", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 664, "atom1_serNum": 4669, "atom2_serNum": 4695, "donAcc_type": "standard", "distance": 2.741, "atom1_id": "///A/256/O", "atom2_id": "///A/259/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 665, "atom1_serNum": 4669, "atom2_serNum": 4701, "donAcc_type": "standard", "distance": 2.889, "atom1_id": "///A/256/O", "atom2_id": "///A/260/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 666, "atom1_serNum": 4674, "atom2_serNum": 4708, "donAcc_type": "standard", "distance": 3.408, "atom1_id": "///A/256/NE1", "atom2_id": "///A/260/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 667, "atom1_serNum": 4674, "atom2_serNum": 5891, "donAcc_type": "standard", "distance": 2.808, "atom1_id": "///A/256/NE1", "atom2_id": "///H/869/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 668, "atom1_serNum": 4683, "atom2_serNum": 4710, "donAcc_type": "standard", "distance": 2.933, "atom1_id": "///A/257/O", "atom2_id": "///A/261/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 669, "atom1_serNum": 4689, "atom2_serNum": 4715, "donAcc_type": "standard", "distance": 3.017, "atom1_id": "///A/258/O", "atom2_id": "///A/262/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 670, "atom1_serNum": 4698, "atom2_serNum": 4723, "donAcc_type": "standard", "distance": 2.981, "atom1_id": "///A/259/O", "atom2_id": "///A/263/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 671, "atom1_serNum": 4704, "atom2_serNum": 4731, "donAcc_type": "standard", "distance": 2.966, "atom1_id": "///A/260/O", "atom2_id": "///A/264/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 672, "atom1_serNum": 4708, "atom2_serNum": 5891, "donAcc_type": "questionable", "distance": 2.873, "atom1_id": "///A/260/OE1", "atom2_id": "///H/869/OP1", "atom_pair": "O:O", "residue_pair": "aa:nt" }, { "index": 673, "atom1_serNum": 4713, "atom2_serNum": 4740, "donAcc_type": "standard", "distance": 3.261, "atom1_id": "///A/261/O", "atom2_id": "///A/265/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 674, "atom1_serNum": 4718, "atom2_serNum": 4751, "donAcc_type": "standard", "distance": 2.812, "atom1_id": "///A/262/O", "atom2_id": "///A/266/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 675, "atom1_serNum": 4726, "atom2_serNum": 4759, "donAcc_type": "standard", "distance": 2.749, "atom1_id": "///A/263/O", "atom2_id": "///A/267/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 676, "atom1_serNum": 4738, "atom2_serNum": 5126, "donAcc_type": "standard", "distance": 2.785, "atom1_id": "///A/264/OE1", "atom2_id": "///A/309/NZ", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 677, "atom1_serNum": 4739, "atom2_serNum": 5126, "donAcc_type": "standard", "distance": 3.089, "atom1_id": "///A/264/OE2", "atom2_id": "///A/309/NZ", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 678, "atom1_serNum": 4754, "atom2_serNum": 4778, "donAcc_type": "standard", "distance": 3.207, "atom1_id": "///A/266/O", "atom2_id": "///A/269/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 679, "atom1_serNum": 4754, "atom2_serNum": 4787, "donAcc_type": "standard", "distance": 3.252, "atom1_id": "///A/266/O", "atom2_id": "///A/270/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 680, "atom1_serNum": 4762, "atom2_serNum": 4795, "donAcc_type": "standard", "distance": 3.016, "atom1_id": "///A/267/O", "atom2_id": "///A/271/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 681, "atom1_serNum": 4774, "atom2_serNum": 4804, "donAcc_type": "standard", "distance": 2.817, "atom1_id": "///A/268/O", "atom2_id": "///A/272/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 682, "atom1_serNum": 4781, "atom2_serNum": 4815, "donAcc_type": "standard", "distance": 2.895, "atom1_id": "///A/269/O", "atom2_id": "///A/273/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 683, "atom1_serNum": 4785, "atom2_serNum": 4825, "donAcc_type": "standard", "distance": 3.033, "atom1_id": "///A/269/OE1", "atom2_id": "///A/273/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 684, "atom1_serNum": 4786, "atom2_serNum": 4813, "donAcc_type": "standard", "distance": 2.374, "atom1_id": "///A/269/OE2", "atom2_id": "///A/272/NH1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 685, "atom1_serNum": 4790, "atom2_serNum": 4826, "donAcc_type": "standard", "distance": 2.802, "atom1_id": "///A/270/O", "atom2_id": "///A/274/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 686, "atom1_serNum": 4798, "atom2_serNum": 4834, "donAcc_type": "standard", "distance": 2.940, "atom1_id": "///A/271/O", "atom2_id": "///A/275/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 687, "atom1_serNum": 4818, "atom2_serNum": 4848, "donAcc_type": "standard", "distance": 3.882, "atom1_id": "///A/273/O", "atom2_id": "///A/277/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 688, "atom1_serNum": 4824, "atom2_serNum": 6076, "donAcc_type": "standard", "distance": 3.120, "atom1_id": "///A/273/NH1", "atom2_id": "///B/842/O5'", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 689, "atom1_serNum": 4825, "atom2_serNum": 6074, "donAcc_type": "standard", "distance": 2.938, "atom1_id": "///A/273/NH2", "atom2_id": "///B/842/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 690, "atom1_serNum": 4829, "atom2_serNum": 4855, "donAcc_type": "standard", "distance": 2.785, "atom1_id": "///A/274/O", "atom2_id": "///A/278/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 691, "atom1_serNum": 4858, "atom2_serNum": 4879, "donAcc_type": "standard", "distance": 2.987, "atom1_id": "///A/278/O", "atom2_id": "///A/281/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 692, "atom1_serNum": 4863, "atom2_serNum": 4877, "donAcc_type": "standard", "distance": 2.592, "atom1_id": "///A/278/NZ", "atom2_id": "///A/280/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 693, "atom1_serNum": 4863, "atom2_serNum": 4878, "donAcc_type": "standard", "distance": 3.037, "atom1_id": "///A/278/NZ", "atom2_id": "///A/280/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 694, "atom1_serNum": 4871, "atom2_serNum": 4877, "donAcc_type": "standard", "distance": 2.637, "atom1_id": "///A/280/N", "atom2_id": "///A/280/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 695, "atom1_serNum": 4882, "atom2_serNum": 5102, "donAcc_type": "standard", "distance": 3.074, "atom1_id": "///A/281/O", "atom2_id": "///A/307/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 696, "atom1_serNum": 4895, "atom2_serNum": 5087, "donAcc_type": "standard", "distance": 3.066, "atom1_id": "///A/283/N", "atom2_id": "///A/305/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 697, "atom1_serNum": 4903, "atom2_serNum": 5341, "donAcc_type": "standard", "distance": 3.075, "atom1_id": "///A/284/N", "atom2_id": "///A/337/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 698, "atom1_serNum": 4906, "atom2_serNum": 5070, "donAcc_type": "standard", "distance": 2.932, "atom1_id": "///A/284/O", "atom2_id": "///A/304/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 699, "atom1_serNum": 4908, "atom2_serNum": 5341, "donAcc_type": "standard", "distance": 3.437, "atom1_id": "///A/285/N", "atom2_id": "///A/337/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 700, "atom1_serNum": 4911, "atom2_serNum": 5338, "donAcc_type": "standard", "distance": 3.033, "atom1_id": "///A/285/O", "atom2_id": "///A/337/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 701, "atom1_serNum": 4917, "atom2_serNum": 6506, "donAcc_type": "standard", "distance": 3.147, "atom1_id": "///A/285/NH1", "atom2_id": "///C/866/OP2", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 702, "atom1_serNum": 4918, "atom2_serNum": 6506, "donAcc_type": "standard", "distance": 1.996, "atom1_id": "///A/285/NH2", "atom2_id": "///C/866/OP2", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 703, "atom1_serNum": 4919, "atom2_serNum": 5056, "donAcc_type": "standard", "distance": 3.118, "atom1_id": "///A/286/N", "atom2_id": "///A/302/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 704, "atom1_serNum": 4922, "atom2_serNum": 5053, "donAcc_type": "standard", "distance": 3.010, "atom1_id": "///A/286/O", "atom2_id": "///A/302/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 705, "atom1_serNum": 4926, "atom2_serNum": 5110, "donAcc_type": "standard", "distance": 3.029, "atom1_id": "///A/286/OE1", "atom2_id": "///A/308/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 706, "atom1_serNum": 4927, "atom2_serNum": 5113, "donAcc_type": "standard", "distance": 3.018, "atom1_id": "///A/286/NE2", "atom2_id": "///A/308/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 707, "atom1_serNum": 4927, "atom2_serNum": 5139, "donAcc_type": "standard", "distance": 2.493, "atom1_id": "///A/286/NE2", "atom2_id": "///A/311/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 708, "atom1_serNum": 4928, "atom2_serNum": 5324, "donAcc_type": "standard", "distance": 2.763, "atom1_id": "///A/287/N", "atom2_id": "///A/335/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 709, "atom1_serNum": 4931, "atom2_serNum": 5321, "donAcc_type": "standard", "distance": 2.875, "atom1_id": "///A/287/O", "atom2_id": "///A/335/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 710, "atom1_serNum": 4932, "atom2_serNum": 5038, "donAcc_type": "standard", "distance": 3.026, "atom1_id": "///A/288/N", "atom2_id": "///A/300/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 711, "atom1_serNum": 4935, "atom2_serNum": 5035, "donAcc_type": "standard", "distance": 3.072, "atom1_id": "///A/288/O", "atom2_id": "///A/300/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 712, "atom1_serNum": 4939, "atom2_serNum": 5312, "donAcc_type": "standard", "distance": 2.783, "atom1_id": "///A/289/N", "atom2_id": "///A/333/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 713, "atom1_serNum": 4942, "atom2_serNum": 5309, "donAcc_type": "standard", "distance": 2.816, "atom1_id": "///A/289/O", "atom2_id": "///A/333/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 714, "atom1_serNum": 4948, "atom2_serNum": 5024, "donAcc_type": "standard", "distance": 2.962, "atom1_id": "///A/290/N", "atom2_id": "///A/298/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 715, "atom1_serNum": 4951, "atom2_serNum": 5021, "donAcc_type": "standard", "distance": 2.860, "atom1_id": "///A/290/O", "atom2_id": "///A/298/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 716, "atom1_serNum": 4956, "atom2_serNum": 5297, "donAcc_type": "standard", "distance": 3.165, "atom1_id": "///A/291/N", "atom2_id": "///A/331/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 717, "atom1_serNum": 4959, "atom2_serNum": 5283, "donAcc_type": "standard", "distance": 2.858, "atom1_id": "///A/291/O", "atom2_id": "///A/330/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 718, "atom1_serNum": 4959, "atom2_serNum": 5294, "donAcc_type": "standard", "distance": 3.316, "atom1_id": "///A/291/O", "atom2_id": "///A/331/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 719, "atom1_serNum": 4964, "atom2_serNum": 4995, "donAcc_type": "standard", "distance": 3.182, "atom1_id": "///A/291/NZ", "atom2_id": "///A/295/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 720, "atom1_serNum": 4964, "atom2_serNum": 5019, "donAcc_type": "standard", "distance": 3.005, "atom1_id": "///A/291/NZ", "atom2_id": "///A/297/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 721, "atom1_serNum": 4965, "atom2_serNum": 5006, "donAcc_type": "standard", "distance": 2.771, "atom1_id": "///A/292/N", "atom2_id": "///A/296/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 722, "atom1_serNum": 4968, "atom2_serNum": 4992, "donAcc_type": "standard", "distance": 2.842, "atom1_id": "///A/292/O", "atom2_id": "///A/295/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 723, "atom1_serNum": 4976, "atom2_serNum": 5275, "donAcc_type": "standard", "distance": 2.934, "atom1_id": "///A/293/N", "atom2_id": "///A/328/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 724, "atom1_serNum": 4982, "atom2_serNum": 4984, "donAcc_type": "standard", "distance": 2.845, "atom1_id": "///A/293/OD1", "atom2_id": "///A/294/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 725, "atom1_serNum": 4983, "atom2_serNum": 5272, "donAcc_type": "standard", "distance": 2.734, "atom1_id": "///A/293/OD2", "atom2_id": "///A/328/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 726, "atom1_serNum": 4990, "atom2_serNum": 5003, "donAcc_type": "standard", "distance": 2.969, "atom1_id": "///A/294/OD1", "atom2_id": "///A/296/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 727, "atom1_serNum": 4991, "atom2_serNum": 5270, "donAcc_type": "standard", "distance": 2.877, "atom1_id": "///A/294/OD2", "atom2_id": "///A/327/NH1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 728, "atom1_serNum": 5026, "atom2_serNum": 5240, "donAcc_type": "acceptable", "distance": 2.944, "atom1_id": "///A/298/OG1", "atom2_id": "///A/323/NH1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 729, "atom1_serNum": 5026, "atom2_serNum": 6547, "donAcc_type": "acceptable", "distance": 2.753, "atom1_id": "///A/298/OG1", "atom2_id": "///C/868/OP2", "atom_pair": "O:O", "residue_pair": "aa:nt" }, { "index": 730, "atom1_serNum": 5028, "atom2_serNum": 6547, "donAcc_type": "standard", "distance": 3.161, "atom1_id": "///A/299/N", "atom2_id": "///C/868/OP2", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 731, "atom1_serNum": 5031, "atom2_serNum": 5033, "donAcc_type": "acceptable", "distance": 3.090, "atom1_id": "///A/299/O", "atom2_id": "///A/299/OG1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 732, "atom1_serNum": 5031, "atom2_serNum": 5240, "donAcc_type": "standard", "distance": 2.808, "atom1_id": "///A/299/O", "atom2_id": "///A/323/NH1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 733, "atom1_serNum": 5042, "atom2_serNum": 5192, "donAcc_type": "standard", "distance": 2.478, "atom1_id": "///A/300/OE1", "atom2_id": "///A/318/NZ", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 734, "atom1_serNum": 5043, "atom2_serNum": 5198, "donAcc_type": "acceptable", "distance": 2.426, "atom1_id": "///A/300/NE2", "atom2_id": "///A/319/OG1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 735, "atom1_serNum": 5044, "atom2_serNum": 6526, "donAcc_type": "standard", "distance": 2.674, "atom1_id": "///A/301/N", "atom2_id": "///C/867/OP2", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 736, "atom1_serNum": 5062, "atom2_serNum": 5139, "donAcc_type": "standard", "distance": 2.531, "atom1_id": "///A/302/NE2", "atom2_id": "///A/311/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 737, "atom1_serNum": 5063, "atom2_serNum": 6506, "donAcc_type": "standard", "distance": 3.570, "atom1_id": "///A/303/N", "atom2_id": "///C/866/OP2", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 738, "atom1_serNum": 5113, "atom2_serNum": 5140, "donAcc_type": "standard", "distance": 3.214, "atom1_id": "///A/308/O", "atom2_id": "///A/312/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 739, "atom1_serNum": 5116, "atom2_serNum": 5132, "donAcc_type": "standard", "distance": 2.950, "atom1_id": "///A/308/OD1", "atom2_id": "///A/311/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 740, "atom1_serNum": 5117, "atom2_serNum": 5603, "donAcc_type": "standard", "distance": 3.582, "atom1_id": "///A/308/ND2", "atom2_id": "///G/849/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 741, "atom1_serNum": 5121, "atom2_serNum": 5148, "donAcc_type": "standard", "distance": 2.979, "atom1_id": "///A/309/O", "atom2_id": "///A/313/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 742, "atom1_serNum": 5130, "atom2_serNum": 5156, "donAcc_type": "standard", "distance": 2.986, "atom1_id": "///A/310/O", "atom2_id": "///A/314/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 743, "atom1_serNum": 5135, "atom2_serNum": 5161, "donAcc_type": "standard", "distance": 2.837, "atom1_id": "///A/311/O", "atom2_id": "///A/315/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 744, "atom1_serNum": 5135, "atom2_serNum": 5166, "donAcc_type": "acceptable", "distance": 2.612, "atom1_id": "///A/311/O", "atom2_id": "///A/315/OG1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 745, "atom1_serNum": 5143, "atom2_serNum": 5168, "donAcc_type": "standard", "distance": 2.758, "atom1_id": "///A/312/O", "atom2_id": "///A/316/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 746, "atom1_serNum": 5151, "atom2_serNum": 5173, "donAcc_type": "standard", "distance": 2.884, "atom1_id": "///A/313/O", "atom2_id": "///A/317/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 747, "atom1_serNum": 5159, "atom2_serNum": 5184, "donAcc_type": "standard", "distance": 3.101, "atom1_id": "///A/314/O", "atom2_id": "///A/318/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 748, "atom1_serNum": 5164, "atom2_serNum": 5193, "donAcc_type": "standard", "distance": 2.930, "atom1_id": "///A/315/O", "atom2_id": "///A/319/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 749, "atom1_serNum": 5164, "atom2_serNum": 5198, "donAcc_type": "acceptable", "distance": 2.949, "atom1_id": "///A/315/O", "atom2_id": "///A/319/OG1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 750, "atom1_serNum": 5171, "atom2_serNum": 5200, "donAcc_type": "standard", "distance": 2.653, "atom1_id": "///A/316/O", "atom2_id": "///A/320/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 751, "atom1_serNum": 5176, "atom2_serNum": 5214, "donAcc_type": "standard", "distance": 2.852, "atom1_id": "///A/317/O", "atom2_id": "///A/321/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 752, "atom1_serNum": 5183, "atom2_serNum": 5876, "donAcc_type": "standard", "distance": 2.916, "atom1_id": "///A/317/NH2", "atom2_id": "///H/868/O3'", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 753, "atom1_serNum": 5183, "atom2_serNum": 5891, "donAcc_type": "standard", "distance": 3.065, "atom1_id": "///A/317/NH2", "atom2_id": "///H/869/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 754, "atom1_serNum": 5187, "atom2_serNum": 5222, "donAcc_type": "standard", "distance": 2.920, "atom1_id": "///A/318/O", "atom2_id": "///A/322/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 755, "atom1_serNum": 5192, "atom2_serNum": 5229, "donAcc_type": "standard", "distance": 3.787, "atom1_id": "///A/318/NZ", "atom2_id": "///A/322/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 756, "atom1_serNum": 5196, "atom2_serNum": 5231, "donAcc_type": "standard", "distance": 2.987, "atom1_id": "///A/319/O", "atom2_id": "///A/323/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 757, "atom1_serNum": 5203, "atom2_serNum": 5242, "donAcc_type": "standard", "distance": 3.419, "atom1_id": "///A/320/O", "atom2_id": "///A/324/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 758, "atom1_serNum": 5234, "atom2_serNum": 5271, "donAcc_type": "standard", "distance": 2.962, "atom1_id": "///A/323/O", "atom2_id": "///A/327/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 759, "atom1_serNum": 5241, "atom2_serNum": 6525, "donAcc_type": "standard", "distance": 2.853, "atom1_id": "///A/323/NH2", "atom2_id": "///C/867/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 760, "atom1_serNum": 5245, "atom2_serNum": 5261, "donAcc_type": "standard", "distance": 3.068, "atom1_id": "///A/324/O", "atom2_id": "///A/327/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 761, "atom1_serNum": 5245, "atom2_serNum": 5268, "donAcc_type": "standard", "distance": 2.869, "atom1_id": "///A/324/O", "atom2_id": "///A/327/NE", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 762, "atom1_serNum": 5251, "atom2_serNum": 5264, "donAcc_type": "standard", "distance": 2.917, "atom1_id": "///A/324/NH1", "atom2_id": "///A/327/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 763, "atom1_serNum": 5292, "atom2_serNum": 6012, "donAcc_type": "standard", "distance": 3.068, "atom1_id": "///A/330/NH1", "atom2_id": "///B/839/OP2", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 764, "atom1_serNum": 5293, "atom2_serNum": 6012, "donAcc_type": "standard", "distance": 3.121, "atom1_id": "///A/330/NH2", "atom2_id": "///B/839/OP2", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 765, "atom1_serNum": 5293, "atom2_serNum": 6031, "donAcc_type": "standard", "distance": 3.101, "atom1_id": "///A/330/NH2", "atom2_id": "///B/840/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 766, "atom1_serNum": 5432, "atom2_serNum": 6668, "donAcc_type": "standard", "distance": 3.050, "atom1_id": "///G/840/N6", "atom2_id": "///F/900/O4", "atom_pair": "N:O", "residue_pair": "nt:ligand" }, { "index": 767, "atom1_serNum": 5433, "atom2_serNum": 6670, "donAcc_type": "standard", "distance": 2.900, "atom1_id": "///G/840/N1", "atom2_id": "///F/900/N3", "atom_pair": "N:N", "residue_pair": "nt:ligand" }, { "index": 768, "atom1_serNum": 5453, "atom2_serNum": 5987, "donAcc_type": "standard", "distance": 2.805, "atom1_id": "///G/841/O6", "atom2_id": "///H/873/N4", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 769, "atom1_serNum": 5454, "atom2_serNum": 5985, "donAcc_type": "standard", "distance": 2.771, "atom1_id": "///G/841/N1", "atom2_id": "///H/873/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 770, "atom1_serNum": 5456, "atom2_serNum": 5984, "donAcc_type": "standard", "distance": 2.647, "atom1_id": "///G/841/N2", "atom2_id": "///H/873/O2", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 771, "atom1_serNum": 5475, "atom2_serNum": 5968, "donAcc_type": "standard", "distance": 2.804, "atom1_id": "///G/842/O6", "atom2_id": "///H/872/N4", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 772, "atom1_serNum": 5476, "atom2_serNum": 5966, "donAcc_type": "standard", "distance": 2.731, "atom1_id": "///G/842/N1", "atom2_id": "///H/872/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 773, "atom1_serNum": 5478, "atom2_serNum": 5965, "donAcc_type": "standard", "distance": 2.765, "atom1_id": "///G/842/N2", "atom2_id": "///H/872/O2", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 774, "atom1_serNum": 5497, "atom2_serNum": 5949, "donAcc_type": "standard", "distance": 2.977, "atom1_id": "///G/843/O6", "atom2_id": "///H/871/N4", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 775, "atom1_serNum": 5498, "atom2_serNum": 5947, "donAcc_type": "standard", "distance": 2.874, "atom1_id": "///G/843/N1", "atom2_id": "///H/871/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 776, "atom1_serNum": 5500, "atom2_serNum": 5946, "donAcc_type": "standard", "distance": 2.725, "atom1_id": "///G/843/N2", "atom2_id": "///H/871/O2", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 777, "atom1_serNum": 5517, "atom2_serNum": 5929, "donAcc_type": "standard", "distance": 2.893, "atom1_id": "///G/844/N3", "atom2_id": "///H/870/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 778, "atom1_serNum": 5519, "atom2_serNum": 5928, "donAcc_type": "standard", "distance": 2.865, "atom1_id": "///G/844/O4", "atom2_id": "///H/870/N6", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 779, "atom1_serNum": 5536, "atom2_serNum": 5909, "donAcc_type": "standard", "distance": 2.758, "atom1_id": "///G/845/O2", "atom2_id": "///H/869/N2", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 780, "atom1_serNum": 5537, "atom2_serNum": 5907, "donAcc_type": "standard", "distance": 2.812, "atom1_id": "///G/845/N3", "atom2_id": "///H/869/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 781, "atom1_serNum": 5539, "atom2_serNum": 5906, "donAcc_type": "standard", "distance": 2.752, "atom1_id": "///G/845/N4", "atom2_id": "///H/869/O6", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 782, "atom1_serNum": 5555, "atom2_serNum": 5887, "donAcc_type": "standard", "distance": 2.702, "atom1_id": "///G/846/O2", "atom2_id": "///H/868/N2", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 783, "atom1_serNum": 5556, "atom2_serNum": 5885, "donAcc_type": "standard", "distance": 2.806, "atom1_id": "///G/846/N3", "atom2_id": "///H/868/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 784, "atom1_serNum": 5558, "atom2_serNum": 5884, "donAcc_type": "standard", "distance": 2.752, "atom1_id": "///G/846/N4", "atom2_id": "///H/868/O6", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 785, "atom1_serNum": 5575, "atom2_serNum": 5864, "donAcc_type": "standard", "distance": 2.774, "atom1_id": "///G/847/N3", "atom2_id": "///H/867/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 786, "atom1_serNum": 5577, "atom2_serNum": 5863, "donAcc_type": "standard", "distance": 3.198, "atom1_id": "///G/847/O4", "atom2_id": "///H/867/N6", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 787, "atom1_serNum": 5597, "atom2_serNum": 5843, "donAcc_type": "standard", "distance": 3.029, "atom1_id": "///G/848/N6", "atom2_id": "///H/866/O4", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 788, "atom1_serNum": 5598, "atom2_serNum": 5841, "donAcc_type": "standard", "distance": 2.756, "atom1_id": "///G/848/N1", "atom2_id": "///H/866/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 789, "atom1_serNum": 5618, "atom2_serNum": 5824, "donAcc_type": "standard", "distance": 2.830, "atom1_id": "///G/849/O6", "atom2_id": "///H/865/N4", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 790, "atom1_serNum": 5619, "atom2_serNum": 5822, "donAcc_type": "standard", "distance": 2.763, "atom1_id": "///G/849/N1", "atom2_id": "///H/865/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 791, "atom1_serNum": 5621, "atom2_serNum": 5821, "donAcc_type": "standard", "distance": 2.609, "atom1_id": "///G/849/N2", "atom2_id": "///H/865/O2", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 792, "atom1_serNum": 5640, "atom2_serNum": 5805, "donAcc_type": "standard", "distance": 2.813, "atom1_id": "///G/850/O6", "atom2_id": "///H/864/N4", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 793, "atom1_serNum": 5641, "atom2_serNum": 5803, "donAcc_type": "standard", "distance": 2.874, "atom1_id": "///G/850/N1", "atom2_id": "///H/864/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 794, "atom1_serNum": 5643, "atom2_serNum": 5802, "donAcc_type": "standard", "distance": 2.919, "atom1_id": "///G/850/N2", "atom2_id": "///H/864/O2", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 795, "atom1_serNum": 5662, "atom2_serNum": 5785, "donAcc_type": "standard", "distance": 3.153, "atom1_id": "///G/851/N6", "atom2_id": "///H/863/O4", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 796, "atom1_serNum": 5663, "atom2_serNum": 5783, "donAcc_type": "standard", "distance": 2.757, "atom1_id": "///G/851/N1", "atom2_id": "///H/863/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 797, "atom1_serNum": 5680, "atom2_serNum": 5766, "donAcc_type": "standard", "distance": 2.761, "atom1_id": "///G/852/O2", "atom2_id": "///H/862/N2", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 798, "atom1_serNum": 5681, "atom2_serNum": 5764, "donAcc_type": "standard", "distance": 2.976, "atom1_id": "///G/852/N3", "atom2_id": "///H/862/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 799, "atom1_serNum": 5683, "atom2_serNum": 5763, "donAcc_type": "standard", "distance": 3.174, "atom1_id": "///G/852/N4", "atom2_id": "///H/862/O6", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 800, "atom1_serNum": 5699, "atom2_serNum": 5744, "donAcc_type": "standard", "distance": 2.502, "atom1_id": "///G/853/O2", "atom2_id": "///H/861/N2", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 801, "atom1_serNum": 5700, "atom2_serNum": 5742, "donAcc_type": "standard", "distance": 2.711, "atom1_id": "///G/853/N3", "atom2_id": "///H/861/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 802, "atom1_serNum": 5702, "atom2_serNum": 5741, "donAcc_type": "standard", "distance": 2.862, "atom1_id": "///G/853/N4", "atom2_id": "///H/861/O6", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 803, "atom1_serNum": 6046, "atom2_serNum": 6698, "donAcc_type": "standard", "distance": 3.039, "atom1_id": "///B/840/N6", "atom2_id": "///A/900/O4", "atom_pair": "N:O", "residue_pair": "nt:ligand" }, { "index": 804, "atom1_serNum": 6047, "atom2_serNum": 6700, "donAcc_type": "standard", "distance": 2.938, "atom1_id": "///B/840/N1", "atom2_id": "///A/900/N3", "atom_pair": "N:N", "residue_pair": "nt:ligand" }, { "index": 805, "atom1_serNum": 6067, "atom2_serNum": 6664, "donAcc_type": "standard", "distance": 2.895, "atom1_id": "///B/841/O6", "atom2_id": "///C/873/N4", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 806, "atom1_serNum": 6068, "atom2_serNum": 6662, "donAcc_type": "standard", "distance": 2.796, "atom1_id": "///B/841/N1", "atom2_id": "///C/873/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 807, "atom1_serNum": 6070, "atom2_serNum": 6661, "donAcc_type": "standard", "distance": 2.681, "atom1_id": "///B/841/N2", "atom2_id": "///C/873/O2", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 808, "atom1_serNum": 6089, "atom2_serNum": 6645, "donAcc_type": "standard", "distance": 2.786, "atom1_id": "///B/842/O6", "atom2_id": "///C/872/N4", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 809, "atom1_serNum": 6090, "atom2_serNum": 6643, "donAcc_type": "standard", "distance": 2.759, "atom1_id": "///B/842/N1", "atom2_id": "///C/872/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 810, "atom1_serNum": 6092, "atom2_serNum": 6642, "donAcc_type": "standard", "distance": 2.763, "atom1_id": "///B/842/N2", "atom2_id": "///C/872/O2", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 811, "atom1_serNum": 6111, "atom2_serNum": 6626, "donAcc_type": "standard", "distance": 2.813, "atom1_id": "///B/843/O6", "atom2_id": "///C/871/N4", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 812, "atom1_serNum": 6112, "atom2_serNum": 6624, "donAcc_type": "standard", "distance": 2.755, "atom1_id": "///B/843/N1", "atom2_id": "///C/871/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 813, "atom1_serNum": 6114, "atom2_serNum": 6623, "donAcc_type": "standard", "distance": 2.684, "atom1_id": "///B/843/N2", "atom2_id": "///C/871/O2", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 814, "atom1_serNum": 6131, "atom2_serNum": 6606, "donAcc_type": "standard", "distance": 2.741, "atom1_id": "///B/844/N3", "atom2_id": "///C/870/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 815, "atom1_serNum": 6133, "atom2_serNum": 6605, "donAcc_type": "standard", "distance": 2.947, "atom1_id": "///B/844/O4", "atom2_id": "///C/870/N6", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 816, "atom1_serNum": 6150, "atom2_serNum": 6586, "donAcc_type": "standard", "distance": 2.782, "atom1_id": "///B/845/O2", "atom2_id": "///C/869/N2", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 817, "atom1_serNum": 6151, "atom2_serNum": 6584, "donAcc_type": "standard", "distance": 2.926, "atom1_id": "///B/845/N3", "atom2_id": "///C/869/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 818, "atom1_serNum": 6153, "atom2_serNum": 6583, "donAcc_type": "standard", "distance": 2.988, "atom1_id": "///B/845/N4", "atom2_id": "///C/869/O6", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 819, "atom1_serNum": 6169, "atom2_serNum": 6564, "donAcc_type": "standard", "distance": 2.779, "atom1_id": "///B/846/O2", "atom2_id": "///C/868/N2", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 820, "atom1_serNum": 6170, "atom2_serNum": 6562, "donAcc_type": "standard", "distance": 2.849, "atom1_id": "///B/846/N3", "atom2_id": "///C/868/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 821, "atom1_serNum": 6172, "atom2_serNum": 6561, "donAcc_type": "standard", "distance": 2.800, "atom1_id": "///B/846/N4", "atom2_id": "///C/868/O6", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 822, "atom1_serNum": 6189, "atom2_serNum": 6541, "donAcc_type": "standard", "distance": 2.923, "atom1_id": "///B/847/N3", "atom2_id": "///C/867/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 823, "atom1_serNum": 6191, "atom2_serNum": 6540, "donAcc_type": "standard", "distance": 3.154, "atom1_id": "///B/847/O4", "atom2_id": "///C/867/N6", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 824, "atom1_serNum": 6211, "atom2_serNum": 6520, "donAcc_type": "standard", "distance": 3.362, "atom1_id": "///B/848/N6", "atom2_id": "///C/866/O4", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 825, "atom1_serNum": 6212, "atom2_serNum": 6518, "donAcc_type": "standard", "distance": 2.922, "atom1_id": "///B/848/N1", "atom2_id": "///C/866/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 826, "atom1_serNum": 6232, "atom2_serNum": 6501, "donAcc_type": "standard", "distance": 3.290, "atom1_id": "///B/849/O6", "atom2_id": "///C/865/N4", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 827, "atom1_serNum": 6233, "atom2_serNum": 6499, "donAcc_type": "standard", "distance": 2.973, "atom1_id": "///B/849/N1", "atom2_id": "///C/865/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 828, "atom1_serNum": 6235, "atom2_serNum": 6498, "donAcc_type": "standard", "distance": 2.566, "atom1_id": "///B/849/N2", "atom2_id": "///C/865/O2", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 829, "atom1_serNum": 6254, "atom2_serNum": 6482, "donAcc_type": "standard", "distance": 3.302, "atom1_id": "///B/850/O6", "atom2_id": "///C/864/N4", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 830, "atom1_serNum": 6255, "atom2_serNum": 6480, "donAcc_type": "standard", "distance": 3.051, "atom1_id": "///B/850/N1", "atom2_id": "///C/864/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 831, "atom1_serNum": 6257, "atom2_serNum": 6479, "donAcc_type": "standard", "distance": 2.804, "atom1_id": "///B/850/N2", "atom2_id": "///C/864/O2", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 832, "atom1_serNum": 6276, "atom2_serNum": 6462, "donAcc_type": "standard", "distance": 3.023, "atom1_id": "///B/851/N6", "atom2_id": "///C/863/O4", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 833, "atom1_serNum": 6277, "atom2_serNum": 6460, "donAcc_type": "standard", "distance": 2.747, "atom1_id": "///B/851/N1", "atom2_id": "///C/863/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 834, "atom1_serNum": 6294, "atom2_serNum": 6443, "donAcc_type": "standard", "distance": 3.032, "atom1_id": "///B/852/O2", "atom2_id": "///C/862/N2", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 835, "atom1_serNum": 6295, "atom2_serNum": 6441, "donAcc_type": "standard", "distance": 3.059, "atom1_id": "///B/852/N3", "atom2_id": "///C/862/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 836, "atom1_serNum": 6297, "atom2_serNum": 6418, "donAcc_type": "standard", "distance": 3.138, "atom1_id": "///B/852/N4", "atom2_id": "///C/861/O6", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 837, "atom1_serNum": 6297, "atom2_serNum": 6440, "donAcc_type": "standard", "distance": 3.207, "atom1_id": "///B/852/N4", "atom2_id": "///C/862/O6", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 838, "atom1_serNum": 6313, "atom2_serNum": 6419, "donAcc_type": "standard", "distance": 2.917, "atom1_id": "///B/853/O2", "atom2_id": "///C/861/N1", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 839, "atom1_serNum": 6313, "atom2_serNum": 6421, "donAcc_type": "standard", "distance": 2.960, "atom1_id": "///B/853/O2", "atom2_id": "///C/861/N2", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 840, "atom1_serNum": 6332, "atom2_serNum": 6399, "donAcc_type": "standard", "distance": 2.671, "atom1_id": "///B/854/O2", "atom2_id": "///C/860/N2", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 841, "atom1_serNum": 6333, "atom2_serNum": 6397, "donAcc_type": "standard", "distance": 2.895, "atom1_id": "///B/854/N3", "atom2_id": "///C/860/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 842, "atom1_serNum": 6335, "atom2_serNum": 6396, "donAcc_type": "standard", "distance": 3.031, "atom1_id": "///B/854/N4", "atom2_id": "///C/860/O6", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 843, "atom1_serNum": 6681, "atom2_serNum": 6690, "donAcc_type": "acceptable", "distance": 2.670, "atom1_id": "///F/900/O3'", "atom2_id": "///F/900/O1B", "atom_pair": "O:O", "residue_pair": "ligand:ligand" }, { "index": 844, "atom1_serNum": 6711, "atom2_serNum": 6720, "donAcc_type": "acceptable", "distance": 2.738, "atom1_id": "///A/900/O3'", "atom2_id": "///A/900/O1B", "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": "5yyd", "num_aaChains": 2, "aaChains": "A=343,F=343", "num_naChains": 4, "naChains": "B=17,C=16,G=17,H=13", "num_atoms": 7116, "num_waters": 395, "num_metals": 2, "metals_desc": "Na=2", "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" } }