{ "num_pairs": 24, "pairs": [ { "index": 1, "nt1": "///C/1", "nt2": "///D/12", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -102.358, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 53.872, "chi2": -138.404, "conf2": "anti", "pucker2": "~C3'-endo", "lambda2": 56.458, "C1C1_dist": 10.632, "N1N9_dist": 8.950, "C6C8_dist": 9.909, "CNNC_torsion": -0.634, "hbonds_num": 3, "hbonds_desc": "O6(carbonyl)-N4(amino)[2.95],N1(imino)-N3[2.92],N2(amino)-O2(carbonyl)[2.75]", "interBase_angle": 4.772, "planarity": 0.061, "simple_Shear": -0.325, "simple_Stretch": -0.116, "simple_Buckle": 0.454, "simple_Propeller": -4.751, "bp_simpleParams": [ -0.325, -0.116, -0.006, 0.454, -4.751, 1.069 ], "bp_params": [ -0.321, -0.125, -0.006, 0.585, -4.736, 1.070 ], "frame": { "rmsd": null, "origin": [ -34.457, 17.901, 45.045 ], "x_axis": [ 0.229, 0.732, -0.641 ], "y_axis": [ 0.368, 0.545, 0.753 ], "z_axis": [ 0.901, -0.409, -0.145 ], "quaternion": [ 0.638, 0.455, 0.604, 0.143 ] } }, { "index": 2, "nt1": "///C/2", "nt2": "///D/11", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -111.309, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 52.949, "chi2": -98.372, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 53.877, "C1C1_dist": 10.737, "N1N9_dist": 8.985, "C6C8_dist": 9.909, "CNNC_torsion": -16.637, "hbonds_num": 3, "hbonds_desc": "O2(carbonyl)-N2(amino)[2.80],N3-N1(imino)[2.89],N4(amino)-O6(carbonyl)[2.91]", "interBase_angle": 10.325, "planarity": 0.147, "simple_Shear": 0.045, "simple_Stretch": -0.120, "simple_Buckle": -3.080, "simple_Propeller": -9.855, "bp_simpleParams": [ 0.045, -0.120, 0.194, -3.080, -9.855, -0.573 ], "bp_params": [ 0.045, -0.121, 0.194, -3.086, -9.853, -0.574 ], "frame": { "rmsd": null, "origin": [ -31.841, 15.577, 44.824 ], "x_axis": [ 0.431, 0.897, -0.096 ], "y_axis": [ 0.106, 0.055, 0.993 ], "z_axis": [ 0.896, -0.438, -0.072 ], "quaternion": [ 0.595, 0.602, 0.417, 0.332 ] } }, { "index": 3, "nt1": "///C/3", "nt2": "///D/10", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -80.802, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 55.520, "chi2": -86.666, "conf2": "--", "pucker2": "~C2'-endo", "lambda2": 50.803, "C1C1_dist": 10.716, "N1N9_dist": 8.964, "C6C8_dist": 9.859, "CNNC_torsion": -17.886, "hbonds_num": 3, "hbonds_desc": "O2(carbonyl)-N2(amino)[2.85],N3-N1(imino)[2.93],N4(amino)-O6(carbonyl)[2.92]", "interBase_angle": 11.579, "planarity": 0.151, "simple_Shear": 0.503, "simple_Stretch": -0.160, "simple_Buckle": 3.252, "simple_Propeller": -11.112, "bp_simpleParams": [ 0.503, -0.160, 0.103, 3.252, -11.112, -1.383 ], "bp_params": [ 0.495, -0.182, 0.103, 2.749, -11.248, -1.389 ], "frame": { "rmsd": null, "origin": [ -29.008, 13.992, 45.027 ], "x_axis": [ 0.392, 0.807, 0.441 ], "y_axis": [ -0.085, -0.446, 0.891 ], "z_axis": [ 0.916, -0.387, -0.107 ], "quaternion": [ 0.458, 0.697, 0.259, 0.486 ] } }, { "index": 4, "nt1": "///C/4", "nt2": "///D/9", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -84.650, "conf1": "--", "pucker1": "~C2'-endo", "lambda1": 56.752, "chi2": -93.595, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 55.544, "C1C1_dist": 10.583, "N1N9_dist": 8.948, "C6C8_dist": 9.950, "CNNC_torsion": -14.676, "hbonds_num": 2, "hbonds_desc": "N6(amino)-O4(carbonyl)[3.15],N1-N3(imino)[2.94]", "interBase_angle": 12.000, "planarity": 0.164, "simple_Shear": 0.017, "simple_Stretch": -0.003, "simple_Buckle": -0.473, "simple_Propeller": -11.990, "bp_simpleParams": [ 0.017, -0.003, 0.157, -0.473, -11.990, 1.948 ], "bp_params": [ 0.017, -0.003, 0.157, -0.555, -11.987, 1.959 ], "frame": { "rmsd": null, "origin": [ -26.531, 10.833, 46.312 ], "x_axis": [ 0.302, 0.144, 0.942 ], "y_axis": [ -0.396, -0.880, 0.262 ], "z_axis": [ 0.867, -0.452, -0.208 ], "quaternion": [ 0.231, 0.773, -0.081, 0.585 ] } }, { "index": 5, "nt1": "///C/5", "nt2": "///D/8", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -112.325, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 55.768, "chi2": -106.176, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 54.695, "C1C1_dist": 10.475, "N1N9_dist": 8.795, "C6C8_dist": 9.796, "CNNC_torsion": -11.345, "hbonds_num": 2, "hbonds_desc": "N6(amino)-O4(carbonyl)[2.97],N1-N3(imino)[2.79]", "interBase_angle": 8.561, "planarity": 0.131, "simple_Shear": 0.089, "simple_Stretch": -0.150, "simple_Buckle": -4.934, "simple_Propeller": -6.996, "bp_simpleParams": [ 0.089, -0.150, 0.168, -4.934, -6.996, 1.904 ], "bp_params": [ 0.087, -0.151, 0.168, -5.038, -6.922, 1.905 ], "frame": { "rmsd": null, "origin": [ -23.605, 9.077, 45.939 ], "x_axis": [ -0.049, -0.282, 0.958 ], "y_axis": [ -0.525, -0.809, -0.265 ], "z_axis": [ 0.850, -0.516, -0.109 ], "quaternion": [ 0.092, 0.683, -0.295, 0.661 ] } }, { "index": 6, "nt1": "///C/6", "nt2": "///D/7", "bp": "c-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -133.065, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 48.455, "chi2": -108.778, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 50.706, "C1C1_dist": 10.947, "N1N9_dist": 9.031, "C6C8_dist": 9.852, "CNNC_torsion": -7.385, "hbonds_num": 3, "hbonds_desc": "N3-N1(imino)[2.87],O2(carbonyl)-N2(amino)[2.92],N4(amino)-O6(carbonyl)[2.62]", "interBase_angle": 4.514, "planarity": 0.068, "simple_Shear": 0.175, "simple_Stretch": -0.195, "simple_Buckle": 1.511, "simple_Propeller": -4.254, "bp_simpleParams": [ 0.175, -0.195, 0.060, 1.511, -4.254, -5.366 ], "bp_params": [ 0.173, -0.197, 0.060, 1.468, -4.269, -5.370 ], "frame": { "rmsd": null, "origin": [ -20.640, 7.928, 45.738 ], "x_axis": [ -0.316, -0.639, 0.701 ], "y_axis": [ -0.404, -0.578, -0.709 ], "z_axis": [ 0.859, -0.507, -0.076 ], "quaternion": [ -0.087, 0.578, -0.451, 0.674 ] } }, { "index": 7, "nt1": "///C/7", "nt2": "///D/6", "bp": "G-c", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -114.117, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 51.966, "chi2": -109.134, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 55.731, "C1C1_dist": 10.630, "N1N9_dist": 8.907, "C6C8_dist": 9.814, "CNNC_torsion": -5.722, "hbonds_num": 3, "hbonds_desc": "O6(carbonyl)-N4(amino)[2.82],N1(imino)-N3[2.79],N2(amino)-O2(carbonyl)[2.70]", "interBase_angle": 11.523, "planarity": 0.146, "simple_Shear": -0.281, "simple_Stretch": -0.208, "simple_Buckle": -9.571, "simple_Propeller": -6.417, "bp_simpleParams": [ -0.281, -0.208, -0.170, -9.571, -6.417, -0.264 ], "bp_params": [ -0.277, -0.213, -0.170, -9.457, -6.584, -0.264 ], "frame": { "rmsd": null, "origin": [ -17.699, 5.676, 45.953 ], "x_axis": [ -0.481, -0.876, 0.031 ], "y_axis": [ -0.026, -0.021, -0.999 ], "z_axis": [ 0.877, -0.481, -0.012 ], "quaternion": [ -0.349, 0.372, -0.607, 0.610 ] } }, { "index": 8, "nt1": "///C/8", "nt2": "///D/5", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -109.583, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 50.883, "chi2": -108.481, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 53.979, "C1C1_dist": 10.755, "N1N9_dist": 8.961, "C6C8_dist": 9.827, "CNNC_torsion": -17.435, "hbonds_num": 2, "hbonds_desc": "N3(imino)-N1[2.85],O4(carbonyl)-N6(amino)[2.84]", "interBase_angle": 12.006, "planarity": 0.160, "simple_Shear": -0.227, "simple_Stretch": -0.113, "simple_Buckle": -5.214, "simple_Propeller": -10.815, "bp_simpleParams": [ -0.227, -0.113, 0.191, -5.214, -10.815, -3.888 ], "bp_params": [ -0.224, -0.118, 0.191, -4.934, -10.945, -3.903 ], "frame": { "rmsd": null, "origin": [ -14.380, 5.125, 46.600 ], "x_axis": [ -0.417, -0.769, -0.483 ], "y_axis": [ 0.155, 0.464, -0.872 ], "z_axis": [ 0.895, -0.439, -0.074 ], "quaternion": [ 0.493, -0.220, 0.699, -0.469 ] } }, { "index": 9, "nt1": "///C/9", "nt2": "///D/4", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -92.663, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 54.267, "chi2": -89.493, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 54.583, "C1C1_dist": 10.686, "N1N9_dist": 8.977, "C6C8_dist": 9.905, "CNNC_torsion": -19.055, "hbonds_num": 2, "hbonds_desc": "N3(imino)-N1[2.92],O4(carbonyl)-N6(amino)[2.98]", "interBase_angle": 15.938, "planarity": 0.211, "simple_Shear": -0.033, "simple_Stretch": -0.053, "simple_Buckle": -1.061, "simple_Propeller": -15.903, "bp_simpleParams": [ -0.033, -0.053, -0.086, -1.061, -15.903, -0.918 ], "bp_params": [ -0.033, -0.053, -0.086, -0.939, -15.911, -0.927 ], "frame": { "rmsd": null, "origin": [ -11.509, 3.685, 46.628 ], "x_axis": [ -0.319, -0.424, -0.848 ], "y_axis": [ 0.375, 0.765, -0.524 ], "z_axis": [ 0.870, -0.485, -0.086 ], "quaternion": [ 0.583, -0.017, 0.737, -0.342 ] } }, { "index": 10, "nt1": "///C/10", "nt2": "///D/3", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -91.730, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 52.986, "chi2": -86.773, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 55.983, "C1C1_dist": 10.744, "N1N9_dist": 9.038, "C6C8_dist": 9.966, "CNNC_torsion": -6.858, "hbonds_num": 3, "hbonds_desc": "O6(carbonyl)-N4(amino)[2.97],N1(imino)-N3[2.99],N2(amino)-O2(carbonyl)[2.86]", "interBase_angle": 5.425, "planarity": 0.068, "simple_Shear": -0.308, "simple_Stretch": -0.061, "simple_Buckle": -2.406, "simple_Propeller": -4.862, "bp_simpleParams": [ -0.308, -0.061, 0.022, -2.406, -4.862, -0.309 ], "bp_params": [ -0.306, -0.069, 0.022, -2.278, -4.923, -0.310 ], "frame": { "rmsd": null, "origin": [ -7.998, 3.372, 45.718 ], "x_axis": [ 0.036, 0.239, -0.970 ], "y_axis": [ 0.485, 0.845, 0.226 ], "z_axis": [ 0.874, -0.478, -0.085 ], "quaternion": [ 0.670, 0.263, 0.688, -0.092 ] } }, { "index": 11, "nt1": "///C/11", "nt2": "///D/2", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -97.545, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 52.111, "chi2": -108.994, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 54.599, "C1C1_dist": 10.685, "N1N9_dist": 8.932, "C6C8_dist": 9.834, "CNNC_torsion": -15.210, "hbonds_num": 3, "hbonds_desc": "O6(carbonyl)-N4(amino)[2.86],N1(imino)-N3[2.89],N2(amino)-O2(carbonyl)[2.84]", "interBase_angle": 8.635, "planarity": 0.123, "simple_Shear": -0.383, "simple_Stretch": -0.187, "simple_Buckle": 1.501, "simple_Propeller": -8.504, "bp_simpleParams": [ -0.383, -0.187, 0.089, 1.501, -8.504, -1.374 ], "bp_params": [ -0.376, -0.200, 0.089, 1.791, -8.447, -1.378 ], "frame": { "rmsd": null, "origin": [ -5.013, 1.850, 45.793 ], "x_axis": [ 0.221, 0.653, -0.725 ], "y_axis": [ 0.376, 0.629, 0.681 ], "z_axis": [ 0.900, -0.423, -0.107 ], "quaternion": [ 0.660, 0.418, 0.615, 0.105 ] } }, { "index": 12, "nt1": "///C/12", "nt2": "///D/1", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -137.439, "conf1": "anti", "pucker1": "~C3'-endo", "lambda1": 54.117, "chi2": -103.708, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 52.753, "C1C1_dist": 10.776, "N1N9_dist": 9.024, "C6C8_dist": 9.925, "CNNC_torsion": -6.811, "hbonds_num": 3, "hbonds_desc": "O2(carbonyl)-N2(amino)[2.88],N3-N1(imino)[2.95],N4(amino)-O6(carbonyl)[2.89]", "interBase_angle": 4.048, "planarity": 0.055, "simple_Shear": 0.242, "simple_Stretch": -0.103, "simple_Buckle": -0.149, "simple_Propeller": -4.046, "bp_simpleParams": [ 0.242, -0.103, -0.003, -0.149, -4.046, -1.498 ], "bp_params": [ 0.240, -0.107, -0.003, -0.229, -4.042, -1.499 ], "frame": { "rmsd": null, "origin": [ -1.953, 0.734, 44.814 ], "x_axis": [ 0.443, 0.879, -0.178 ], "y_axis": [ 0.182, 0.106, 0.978 ], "z_axis": [ 0.878, -0.465, -0.113 ], "quaternion": [ 0.599, 0.602, 0.441, 0.291 ] } }, { "index": 13, "nt1": "///E/1", "nt2": "///F/12", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -99.580, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 53.184, "chi2": -137.660, "conf2": "anti", "pucker2": "----", "lambda2": 55.841, "C1C1_dist": 10.606, "N1N9_dist": 8.896, "C6C8_dist": 9.827, "CNNC_torsion": 2.042, "hbonds_num": 3, "hbonds_desc": "O6(carbonyl)-N4(amino)[2.85],N1(imino)-N3[2.85],N2(amino)-O2(carbonyl)[2.75]", "interBase_angle": 6.147, "planarity": 0.100, "simple_Shear": -0.298, "simple_Stretch": -0.200, "simple_Buckle": 1.355, "simple_Propeller": -5.995, "bp_simpleParams": [ -0.298, -0.200, -0.147, 1.355, -5.995, 0.031 ], "bp_params": [ -0.293, -0.207, -0.147, 1.506, -5.959, 0.031 ], "frame": { "rmsd": null, "origin": [ -31.488, -15.837, 20.227 ], "x_axis": [ 0.251, -0.726, 0.641 ], "y_axis": [ 0.380, -0.535, -0.755 ], "z_axis": [ 0.890, 0.433, 0.142 ], "quaternion": [ -0.463, 0.641, -0.135, 0.597 ] } }, { "index": 14, "nt1": "///E/2", "nt2": "///F/11", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -109.936, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 53.493, "chi2": -98.986, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 53.426, "C1C1_dist": 10.779, "N1N9_dist": 9.035, "C6C8_dist": 9.943, "CNNC_torsion": -15.534, "hbonds_num": 3, "hbonds_desc": "O2(carbonyl)-N2(amino)[2.89],N3-N1(imino)[2.95],N4(amino)-O6(carbonyl)[2.94]", "interBase_angle": 10.086, "planarity": 0.150, "simple_Shear": 0.138, "simple_Stretch": -0.076, "simple_Buckle": -4.746, "simple_Propeller": -8.899, "bp_simpleParams": [ 0.138, -0.076, 0.127, -4.746, -8.899, -1.040 ], "bp_params": [ 0.137, -0.078, 0.127, -4.840, -8.849, -1.042 ], "frame": { "rmsd": null, "origin": [ -28.834, -13.528, 20.513 ], "x_axis": [ 0.431, -0.899, 0.079 ], "y_axis": [ 0.106, -0.036, -0.994 ], "z_axis": [ 0.896, 0.436, 0.080 ], "quaternion": [ 0.607, -0.589, 0.337, -0.414 ] } }, { "index": 15, "nt1": "///E/3", "nt2": "///F/10", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -79.774, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 56.085, "chi2": -87.448, "conf2": "--", "pucker2": "~C2'-endo", "lambda2": 51.626, "C1C1_dist": 10.711, "N1N9_dist": 8.988, "C6C8_dist": 9.896, "CNNC_torsion": -17.020, "hbonds_num": 3, "hbonds_desc": "O2(carbonyl)-N2(amino)[2.87],N3-N1(imino)[2.95],N4(amino)-O6(carbonyl)[2.94]", "interBase_angle": 10.587, "planarity": 0.136, "simple_Shear": 0.470, "simple_Stretch": -0.124, "simple_Buckle": 2.621, "simple_Propeller": -10.257, "bp_simpleParams": [ 0.470, -0.124, 0.007, 2.621, -10.257, -0.838 ], "bp_params": [ 0.465, -0.144, 0.007, 2.187, -10.358, -0.841 ], "frame": { "rmsd": null, "origin": [ -26.087, -11.927, 20.283 ], "x_axis": [ 0.374, -0.820, -0.433 ], "y_axis": [ -0.072, 0.440, -0.895 ], "z_axis": [ 0.925, 0.366, 0.106 ], "quaternion": [ 0.693, -0.455, 0.490, -0.270 ] } }, { "index": 16, "nt1": "///E/4", "nt2": "///F/9", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -85.951, "conf1": "--", "pucker1": "~C2'-endo", "lambda1": 55.579, "chi2": -95.303, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 55.408, "C1C1_dist": 10.579, "N1N9_dist": 8.910, "C6C8_dist": 9.848, "CNNC_torsion": -13.459, "hbonds_num": 2, "hbonds_desc": "N6(amino)-O4(carbonyl)[2.95],N1-N3(imino)[2.87]", "interBase_angle": 10.171, "planarity": 0.142, "simple_Shear": -0.088, "simple_Stretch": -0.108, "simple_Buckle": -1.222, "simple_Propeller": -10.098, "bp_simpleParams": [ -0.088, -0.108, 0.109, -1.222, -10.098, -0.983 ], "bp_params": [ -0.088, -0.109, 0.109, -1.183, -10.102, -0.987 ], "frame": { "rmsd": null, "origin": [ -23.626, -8.814, 19.078 ], "x_axis": [ 0.294, -0.173, -0.940 ], "y_axis": [ -0.391, 0.875, -0.284 ], "z_axis": [ 0.872, 0.451, 0.189 ], "quaternion": [ 0.768, -0.239, 0.590, 0.071 ] } }, { "index": 17, "nt1": "///E/5", "nt2": "///F/8", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -117.950, "conf1": "anti", "pucker1": "pucker-CHK", "lambda1": 55.560, "chi2": -99.796, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 55.776, "C1C1_dist": 10.455, "N1N9_dist": 8.801, "C6C8_dist": 9.825, "CNNC_torsion": -12.753, "hbonds_num": 2, "hbonds_desc": "N6(amino)-O4(carbonyl)[3.06],N1-N3(imino)[2.84]", "interBase_angle": 11.926, "planarity": 0.166, "simple_Shear": -0.102, "simple_Stretch": -0.099, "simple_Buckle": -8.329, "simple_Propeller": -8.536, "bp_simpleParams": [ -0.102, -0.099, 0.062, -8.329, -8.536, 3.154 ], "bp_params": [ -0.102, -0.099, 0.062, -8.304, -8.561, 3.155 ], "frame": { "rmsd": null, "origin": [ -20.614, -7.006, 19.350 ], "x_axis": [ -0.036, 0.275, -0.961 ], "y_axis": [ -0.507, 0.823, 0.255 ], "z_axis": [ 0.861, 0.497, 0.110 ], "quaternion": [ 0.689, -0.088, 0.661, 0.284 ] } }, { "index": 18, "nt1": "///E/6", "nt2": "///F/7", "bp": "c-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -126.137, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 50.936, "chi2": -108.678, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 51.167, "C1C1_dist": 10.832, "N1N9_dist": 8.975, "C6C8_dist": 9.833, "CNNC_torsion": -8.864, "hbonds_num": 3, "hbonds_desc": "N3-N1(imino)[2.87],O2(carbonyl)-N2(amino)[2.85],N4(amino)-O6(carbonyl)[2.66]", "interBase_angle": 3.198, "planarity": 0.066, "simple_Shear": 0.274, "simple_Stretch": -0.209, "simple_Buckle": 1.867, "simple_Propeller": -2.596, "bp_simpleParams": [ 0.274, -0.209, 0.104, 1.867, -2.596, -3.428 ], "bp_params": [ 0.270, -0.215, 0.104, 1.817, -2.631, -3.428 ], "frame": { "rmsd": null, "origin": [ -17.768, -5.806, 19.702 ], "x_axis": [ -0.329, 0.639, -0.695 ], "y_axis": [ -0.408, 0.568, 0.715 ], "z_axis": [ 0.851, 0.519, 0.074 ], "quaternion": [ 0.573, 0.085, 0.675, 0.457 ] } }, { "index": 19, "nt1": "///E/7", "nt2": "///F/6", "bp": "G-c", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -113.459, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 52.092, "chi2": -100.669, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 55.575, "C1C1_dist": 10.628, "N1N9_dist": 8.896, "C6C8_dist": 9.815, "CNNC_torsion": -6.927, "hbonds_num": 3, "hbonds_desc": "O6(carbonyl)-N4(amino)[2.83],N1(imino)-N3[2.77],N2(amino)-O2(carbonyl)[2.59]", "interBase_angle": 11.234, "planarity": 0.146, "simple_Shear": -0.319, "simple_Stretch": -0.216, "simple_Buckle": -9.487, "simple_Propeller": -6.018, "bp_simpleParams": [ -0.319, -0.216, -0.127, -9.487, -6.018, 0.452 ], "bp_params": [ -0.314, -0.223, -0.127, -9.357, -6.218, 0.451 ], "frame": { "rmsd": null, "origin": [ -14.812, -3.577, 19.525 ], "x_axis": [ -0.472, 0.881, -0.038 ], "y_axis": [ -0.037, 0.024, 0.999 ], "z_axis": [ 0.881, 0.473, 0.021 ], "quaternion": [ 0.378, 0.347, 0.607, 0.606 ] } }, { "index": 20, "nt1": "///E/8", "nt2": "///F/5", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -110.341, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 51.117, "chi2": -103.524, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 53.679, "C1C1_dist": 10.700, "N1N9_dist": 8.902, "C6C8_dist": 9.793, "CNNC_torsion": -17.663, "hbonds_num": 2, "hbonds_desc": "N3(imino)-N1[2.81],O4(carbonyl)-N6(amino)[2.85]", "interBase_angle": 12.187, "planarity": 0.161, "simple_Shear": -0.147, "simple_Stretch": -0.148, "simple_Buckle": -6.414, "simple_Propeller": -10.363, "bp_simpleParams": [ -0.147, -0.148, 0.253, -6.414, -10.363, -2.814 ], "bp_params": [ -0.144, -0.150, 0.253, -6.240, -10.468, -2.821 ], "frame": { "rmsd": null, "origin": [ -11.465, -2.924, 18.941 ], "x_axis": [ -0.432, 0.765, 0.477 ], "y_axis": [ 0.153, -0.459, 0.875 ], "z_axis": [ 0.889, 0.451, 0.081 ], "quaternion": [ 0.218, 0.486, 0.472, 0.702 ] } }, { "index": 21, "nt1": "///E/9", "nt2": "///F/4", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -94.120, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 55.182, "chi2": -93.427, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 53.375, "C1C1_dist": 10.685, "N1N9_dist": 8.981, "C6C8_dist": 9.916, "CNNC_torsion": -19.669, "hbonds_num": 2, "hbonds_desc": "N3(imino)-N1[2.96],O4(carbonyl)-N6(amino)[3.07]", "interBase_angle": 11.369, "planarity": 0.171, "simple_Shear": 0.166, "simple_Stretch": -0.034, "simple_Buckle": 1.558, "simple_Propeller": -11.262, "bp_simpleParams": [ 0.166, -0.034, 0.149, 1.558, -11.262, -0.767 ], "bp_params": [ 0.165, -0.036, 0.149, 1.424, -11.280, -0.771 ], "frame": { "rmsd": null, "origin": [ -8.600, -1.513, 18.960 ], "x_axis": [ -0.303, 0.436, 0.847 ], "y_axis": [ 0.345, -0.779, 0.524 ], "z_axis": [ 0.888, 0.451, 0.086 ], "quaternion": [ 0.031, 0.589, 0.331, 0.736 ] } }, { "index": 22, "nt1": "///E/10", "nt2": "///F/3", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -90.110, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 51.335, "chi2": -89.029, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 55.519, "C1C1_dist": 10.762, "N1N9_dist": 9.013, "C6C8_dist": 9.901, "CNNC_torsion": -9.454, "hbonds_num": 3, "hbonds_desc": "O6(carbonyl)-N4(amino)[2.90],N1(imino)-N3[2.97],N2(amino)-O2(carbonyl)[2.91]", "interBase_angle": 6.398, "planarity": 0.081, "simple_Shear": -0.467, "simple_Stretch": -0.123, "simple_Buckle": -0.490, "simple_Propeller": -6.379, "bp_simpleParams": [ -0.467, -0.123, 0.074, -0.490, -6.379, -1.965 ], "bp_params": [ -0.461, -0.143, 0.074, -0.222, -6.394, -1.968 ], "frame": { "rmsd": null, "origin": [ -5.109, -1.238, 19.716 ], "x_axis": [ 0.035, -0.221, 0.975 ], "y_axis": [ 0.479, -0.852, -0.210 ], "z_axis": [ 0.877, 0.474, 0.076 ], "quaternion": [ -0.254, 0.673, 0.096, 0.688 ] } }, { "index": 23, "nt1": "///E/11", "nt2": "///F/2", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -97.639, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 50.801, "chi2": -102.190, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 54.240, "C1C1_dist": 10.704, "N1N9_dist": 8.914, "C6C8_dist": 9.775, "CNNC_torsion": -12.994, "hbonds_num": 3, "hbonds_desc": "O6(carbonyl)-N4(amino)[2.74],N1(imino)-N3[2.86],N2(amino)-O2(carbonyl)[2.88]", "interBase_angle": 7.295, "planarity": 0.101, "simple_Shear": -0.419, "simple_Stretch": -0.244, "simple_Buckle": -0.318, "simple_Propeller": -7.288, "bp_simpleParams": [ -0.419, -0.244, -0.001, -0.318, -7.288, -3.167 ], "bp_params": [ -0.410, -0.259, -0.001, -0.043, -7.294, -3.173 ], "frame": { "rmsd": null, "origin": [ -2.071, 0.291, 19.665 ], "x_axis": [ 0.250, -0.645, 0.723 ], "y_axis": [ 0.383, -0.620, -0.685 ], "z_axis": [ 0.890, 0.448, 0.092 ], "quaternion": [ -0.425, 0.667, -0.098, 0.605 ] } }, { "index": 24, "nt1": "///E/12", "nt2": "///F/1", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -132.616, "conf1": "anti", "pucker1": "----", "lambda1": 54.469, "chi2": -108.905, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 54.612, "C1C1_dist": 10.717, "N1N9_dist": 9.009, "C6C8_dist": 9.949, "CNNC_torsion": -2.457, "hbonds_num": 3, "hbonds_desc": "O2(carbonyl)-N2(amino)[2.79],N3-N1(imino)[2.91],N4(amino)-O6(carbonyl)[2.91]", "interBase_angle": 3.584, "planarity": 0.048, "simple_Shear": 0.053, "simple_Stretch": -0.087, "simple_Buckle": 0.814, "simple_Propeller": -3.491, "bp_simpleParams": [ 0.053, -0.087, -0.081, 0.814, -3.491, 0.111 ], "bp_params": [ 0.053, -0.087, -0.081, 0.812, -3.491, 0.111 ], "frame": { "rmsd": null, "origin": [ 1.032, 1.183, 20.623 ], "x_axis": [ 0.439, -0.878, 0.190 ], "y_axis": [ 0.185, -0.119, -0.976 ], "z_axis": [ 0.879, 0.464, 0.110 ], "quaternion": [ 0.598, -0.602, 0.288, -0.444 ] } } ], "num_helices": 2, "helices": [ { "index": 1, "num_stems": 1, "strand1": "GCCAAcGTTGGC", "strand2": "CGGTTGcAACCG", "bp_type": "||||||||||||", "helix_form": "BB.BBBBBBBB", "helical_rise": 3.311, "helical_rise_std": 0.345, "helical_radius": 9.462, "helical_radius_std": 1.518, "helical_axis": [ 0.876, -0.472, -0.094 ], "point1": [ -35.048, 15.711, 47.628 ], "point2": [ -3.173, -1.464, 44.199 ], "num_pairs": 12, "pairs": [ { "index": 1, "nt1": "///C/1", "nt2": "///D/12", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.321, -0.125, -0.006, 0.585, -4.736, 1.070 ], "step_params": [ -0.964, -0.253, 3.362, -3.211, -3.160, 35.082 ], "heli_params": [ 0.071, 1.092, 3.443, -5.215, 5.300, 35.361 ], "bp2_params": [ 0.045, -0.121, 0.194, -3.086, -9.853, -0.574 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.362, "simple_Twist": 32.761, "simple_hRise": 3.446, "simple_hTwist": 33.061 }, { "index": 2, "nt1": "///C/2", "nt2": "///D/11", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.045, -0.121, 0.194, -3.086, -9.853, -0.574 ], "step_params": [ -0.175, 0.531, 3.204, 2.537, 2.747, 31.538 ], "heli_params": [ 0.474, 0.779, 3.214, 5.032, -4.648, 31.753 ], "bp2_params": [ 0.495, -0.182, 0.103, 2.749, -11.248, -1.389 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.204, "simple_Twist": 29.521, "simple_hRise": 3.213, "simple_hTwist": 29.752 }, { "index": 3, "nt1": "///C/3", "nt2": "///D/10", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.495, -0.182, 0.103, 2.749, -11.248, -1.389 ], "step_params": [ 0.268, 2.558, 3.339, 0.229, -7.475, 48.890 ], "heli_params": [ 3.596, -0.304, 2.943, -8.971, -0.275, 49.424 ], "bp2_params": [ 0.017, -0.003, 0.157, -0.555, -11.987, 1.959 ], "groove_widths": [ 12.174, null, 16.088, null ], "simple_Rise": 3.339, "simple_Twist": 51.266, "simple_hRise": 2.965, "simple_hTwist": 51.772 }, { "index": 4, "nt1": "///C/4", "nt2": "///D/9", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.017, -0.003, 0.157, -0.555, -11.987, 1.959 ], "step_params": [ 0.173, 0.092, 3.427, -3.683, 5.793, 31.599 ], "heli_params": [ -0.910, -0.994, 3.350, 10.484, 6.666, 32.317 ], "bp2_params": [ 0.087, -0.151, 0.168, -5.038, -6.922, 1.905 ], "groove_widths": [ 12.732, 12.724, 16.633, 16.622 ], "simple_Rise": 3.427, "simple_Twist": 31.094, "simple_hRise": 3.347, "simple_hTwist": 31.824 }, { "index": 5, "nt1": "///C/5", "nt2": "///D/8", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.087, -0.151, 0.168, -5.038, -6.922, 1.905 ], "step_params": [ -0.196, -0.508, 3.140, 1.570, 1.282, 29.795 ], "heli_params": [ -1.241, 0.691, 3.101, 2.489, -3.050, 29.862 ], "bp2_params": [ 0.173, -0.197, 0.060, 1.468, -4.269, -5.370 ], "groove_widths": [ 12.056, 12.048, 16.825, 16.757 ], "simple_Rise": 3.140, "simple_Twist": 29.441, "simple_hRise": 3.101, "simple_hTwist": 29.510 }, { "index": 6, "nt1": "///C/6", "nt2": "///D/7", "bp": "c-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.173, -0.197, 0.060, 1.468, -4.269, -5.370 ], "step_params": [ 0.609, -0.147, 3.656, 4.048, -0.232, 42.815 ], "heli_params": [ -0.175, -0.379, 3.697, -0.317, -5.530, 42.997 ], "bp2_params": [ -0.277, -0.213, -0.170, -9.457, -6.584, -0.264 ], "groove_widths": [ 10.015, 10.014, 21.775, 21.735 ], "simple_Rise": 3.656, "simple_Twist": 45.151, "simple_hRise": 3.695, "simple_hTwist": 45.323 }, { "index": 7, "nt1": "///C/7", "nt2": "///D/6", "bp": "G-c", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.277, -0.213, -0.170, -9.457, -6.584, -0.264 ], "step_params": [ -1.196, -0.519, 3.169, -4.087, -1.723, 30.650 ], "heli_params": [ -0.641, 1.454, 3.320, -3.238, 7.681, 30.962 ], "bp2_params": [ -0.224, -0.118, 0.191, -4.934, -10.945, -3.903 ], "groove_widths": [ 10.502, 10.492, 18.161, 18.158 ], "simple_Rise": 3.169, "simple_Twist": 30.182, "simple_hRise": 3.322, "simple_hTwist": 30.498 }, { "index": 8, "nt1": "///C/8", "nt2": "///D/5", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.224, -0.118, 0.191, -4.934, -10.945, -3.903 ], "step_params": [ -0.237, -0.168, 3.199, 1.611, 2.610, 29.544 ], "heli_params": [ -0.862, 0.792, 3.155, 5.101, -3.148, 29.699 ], "bp2_params": [ -0.033, -0.053, -0.086, -0.939, -15.911, -0.927 ], "groove_widths": [ 12.265, 12.245, 16.330, 16.327 ], "simple_Rise": 3.199, "simple_Twist": 28.977, "simple_hRise": 3.154, "simple_hTwist": 29.135 }, { "index": 9, "nt1": "///C/9", "nt2": "///D/4", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.033, -0.053, -0.086, -0.939, -15.911, -0.927 ], "step_params": [ 0.393, 1.507, 3.291, -0.430, -0.089, 44.774 ], "heli_params": [ 1.986, -0.556, 3.284, -0.117, 0.565, 44.776 ], "bp2_params": [ -0.306, -0.069, 0.022, -2.278, -4.923, -0.310 ], "groove_widths": [ 12.051, null, 16.442, null ], "simple_Rise": 3.291, "simple_Twist": 46.098, "simple_hRise": 3.284, "simple_hTwist": 46.100 }, { "index": 10, "nt1": "///C/10", "nt2": "///D/3", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.306, -0.069, 0.022, -2.278, -4.923, -0.310 ], "step_params": [ -0.351, 0.183, 3.328, -2.505, 2.744, 29.746 ], "heli_params": [ -0.227, 0.150, 3.349, 5.320, 4.855, 29.972 ], "bp2_params": [ -0.376, -0.200, 0.089, 1.791, -8.447, -1.378 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.328, "simple_Twist": 30.301, "simple_hRise": 3.349, "simple_hTwist": 30.522 }, { "index": 11, "nt1": "///C/11", "nt2": "///D/2", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.376, -0.200, 0.089, 1.791, -8.447, -1.378 ], "step_params": [ 0.619, -0.365, 3.324, 1.633, -2.222, 36.792 ], "heli_params": [ -0.269, -0.752, 3.363, -3.514, -2.583, 36.892 ], "bp2_params": [ 0.240, -0.107, -0.003, -0.229, -4.042, -1.499 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.324, "simple_Twist": 33.326, "simple_hRise": 3.366, "simple_hTwist": 33.436 }, { "index": 12, "nt1": "///C/12", "nt2": "///D/1", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W" } ] }, { "index": 2, "num_stems": 1, "strand1": "GCCAAcGTTGGC", "strand2": "CGGTTGcAACCG", "bp_type": "||||||||||||", "helix_form": "BB.BBBBBBBB", "helical_rise": 3.312, "helical_rise_std": 0.338, "helical_radius": 9.446, "helical_radius_std": 1.482, "helical_axis": [ 0.874, 0.476, 0.094 ], "point1": [ -32.088, -13.724, 17.793 ], "point2": [ -0.273, 3.616, 21.201 ], "num_pairs": 12, "pairs": [ { "index": 1, "nt1": "///E/1", "nt2": "///F/12", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.293, -0.207, -0.147, 1.506, -5.959, 0.031 ], "step_params": [ -0.881, -0.264, 3.408, -3.299, -1.398, 35.815 ], "heli_params": [ -0.218, 0.931, 3.480, -2.266, 5.347, 35.988 ], "bp2_params": [ 0.137, -0.078, 0.127, -4.840, -8.849, -1.042 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.408, "simple_Twist": 33.145, "simple_hRise": 3.485, "simple_hTwist": 33.332 }, { "index": 2, "nt1": "///E/2", "nt2": "///F/11", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.137, -0.078, 0.127, -4.840, -8.849, -1.042 ], "step_params": [ -0.255, 0.580, 3.125, 2.270, 4.033, 29.927 ], "heli_params": [ 0.324, 0.931, 3.147, 7.752, -4.362, 30.275 ], "bp2_params": [ 0.465, -0.144, 0.007, 2.187, -10.358, -0.841 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.125, "simple_Twist": 28.602, "simple_hRise": 3.146, "simple_hTwist": 28.966 }, { "index": 3, "nt1": "///E/3", "nt2": "///F/10", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.465, -0.144, 0.007, 2.187, -10.358, -0.841 ], "step_params": [ 0.127, 2.493, 3.311, -1.211, -7.409, 48.252 ], "heli_params": [ 3.558, -0.242, 2.918, -8.999, 1.471, 48.798 ], "bp2_params": [ -0.088, -0.109, 0.109, -1.183, -10.102, -0.987 ], "groove_widths": [ 12.151, null, 16.531, null ], "simple_Rise": 3.311, "simple_Twist": 51.054, "simple_hRise": 2.944, "simple_hTwist": 51.567 }, { "index": 4, "nt1": "///E/4", "nt2": "///F/9", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.088, -0.109, 0.109, -1.183, -10.102, -0.987 ], "step_params": [ 0.254, 0.145, 3.511, -2.674, 4.556, 32.019 ], "heli_params": [ -0.600, -0.959, 3.466, 8.190, 4.807, 32.441 ], "bp2_params": [ -0.102, -0.099, 0.062, -8.304, -8.561, 3.155 ], "groove_widths": [ 12.729, 12.720, 16.614, 16.605 ], "simple_Rise": 3.511, "simple_Twist": 32.013, "simple_hRise": 3.466, "simple_hTwist": 32.435 }, { "index": 5, "nt1": "///E/5", "nt2": "///F/8", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.102, -0.099, 0.062, -8.304, -8.561, 3.155 ], "step_params": [ -0.272, -0.328, 3.079, -0.146, 2.510, 31.086 ], "heli_params": [ -1.058, 0.479, 3.045, 4.674, 0.271, 31.185 ], "bp2_params": [ 0.270, -0.215, 0.104, 1.817, -2.631, -3.428 ], "groove_widths": [ 12.027, 12.018, 16.859, 16.761 ], "simple_Rise": 3.079, "simple_Twist": 29.263, "simple_hRise": 3.042, "simple_hTwist": 29.368 }, { "index": 6, "nt1": "///E/6", "nt2": "///F/7", "bp": "c-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.270, -0.215, 0.104, 1.817, -2.631, -3.428 ], "step_params": [ 0.565, -0.139, 3.661, 3.997, -1.703, 41.851 ], "heli_params": [ 0.005, -0.320, 3.700, -2.377, -5.578, 42.065 ], "bp2_params": [ -0.314, -0.223, -0.127, -9.357, -6.218, 0.451 ], "groove_widths": [ 9.924, 9.923, 21.820, 21.790 ], "simple_Rise": 3.661, "simple_Twist": 44.732, "simple_hRise": 3.698, "simple_hTwist": 44.932 }, { "index": 7, "nt1": "///E/7", "nt2": "///F/6", "bp": "G-c", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.314, -0.223, -0.127, -9.357, -6.218, 0.451 ], "step_params": [ -1.117, -0.510, 3.234, -3.658, -0.496, 30.731 ], "heli_params": [ -0.858, 1.379, 3.349, -0.931, 6.871, 30.947 ], "bp2_params": [ -0.144, -0.150, 0.253, -6.240, -10.468, -2.821 ], "groove_widths": [ 10.524, 10.513, 18.170, 18.158 ], "simple_Rise": 3.234, "simple_Twist": 29.631, "simple_hRise": 3.353, "simple_hTwist": 29.855 }, { "index": 8, "nt1": "///E/8", "nt2": "///F/5", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.144, -0.150, 0.253, -6.240, -10.468, -2.821 ], "step_params": [ -0.198, -0.153, 3.184, -0.169, 0.181, 29.679 ], "heli_params": [ -0.336, 0.353, 3.184, 0.354, 0.329, 29.680 ], "bp2_params": [ 0.165, -0.036, 0.149, 1.424, -11.280, -0.771 ], "groove_widths": [ 12.298, 12.278, 16.649, 16.641 ], "simple_Rise": 3.184, "simple_Twist": 28.605, "simple_hRise": 3.184, "simple_hTwist": 28.607 }, { "index": 9, "nt1": "///E/9", "nt2": "///F/4", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.165, -0.036, 0.149, 1.424, -11.280, -0.771 ], "step_params": [ 0.251, 1.441, 3.271, 1.525, -0.277, 44.034 ], "heli_params": [ 1.947, -0.191, 3.269, -0.370, -2.033, 44.060 ], "bp2_params": [ -0.461, -0.143, 0.074, -0.222, -6.394, -1.968 ], "groove_widths": [ 11.907, null, 16.356, null ], "simple_Rise": 3.271, "simple_Twist": 47.189, "simple_hRise": 3.269, "simple_hTwist": 47.213 }, { "index": 10, "nt1": "///E/10", "nt2": "///F/3", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.461, -0.143, 0.074, -0.222, -6.394, -1.968 ], "step_params": [ -0.275, 0.201, 3.384, -1.071, 1.579, 31.139 ], "heli_params": [ 0.062, 0.300, 3.397, 2.939, 1.993, 31.196 ], "bp2_params": [ -0.410, -0.259, -0.001, -0.043, -7.294, -3.173 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.384, "simple_Twist": 30.990, "simple_hRise": 3.397, "simple_hTwist": 31.047 }, { "index": 11, "nt1": "///E/11", "nt2": "///F/2", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.410, -0.259, -0.001, -0.043, -7.294, -3.173 ], "step_params": [ 0.855, -0.253, 3.248, 1.430, -0.453, 35.623 ], "heli_params": [ -0.347, -1.190, 3.282, -0.741, -2.335, 35.653 ], "bp2_params": [ 0.053, -0.087, -0.081, 0.812, -3.491, 0.111 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.248, "simple_Twist": 33.107, "simple_hRise": 3.284, "simple_hTwist": 33.140 }, { "index": 12, "nt1": "///E/12", "nt2": "///F/1", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W" } ] } ], "num_stems": 2, "stems": [ { "index": 1, "helix_index": 1, "strand1": "GCCAAcGTTGGC", "strand2": "CGGTTGcAACCG", "bp_type": "||||||||||||", "helix_form": "BB.BBBBBBBB", "helical_rise": 3.311, "helical_rise_std": 0.345, "helical_radius": 9.462, "helical_radius_std": 1.518, "helical_axis": [ 0.876, -0.472, -0.094 ], "point1": [ -35.048, 15.711, 47.628 ], "point2": [ -3.173, -1.464, 44.199 ], "num_pairs": 12, "pairs": [ { "index": 1, "nt1": "///C/1", "nt2": "///D/12", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.321, -0.125, -0.006, 0.585, -4.736, 1.070 ], "step_params": [ -0.964, -0.253, 3.362, -3.211, -3.160, 35.082 ], "heli_params": [ 0.071, 1.092, 3.443, -5.215, 5.300, 35.361 ], "bp2_params": [ 0.045, -0.121, 0.194, -3.086, -9.853, -0.574 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.362, "simple_Twist": 32.761, "simple_hRise": 3.446, "simple_hTwist": 33.061 }, { "index": 2, "nt1": "///C/2", "nt2": "///D/11", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.045, -0.121, 0.194, -3.086, -9.853, -0.574 ], "step_params": [ -0.175, 0.531, 3.204, 2.537, 2.747, 31.538 ], "heli_params": [ 0.474, 0.779, 3.214, 5.032, -4.648, 31.753 ], "bp2_params": [ 0.495, -0.182, 0.103, 2.749, -11.248, -1.389 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.204, "simple_Twist": 29.521, "simple_hRise": 3.213, "simple_hTwist": 29.752 }, { "index": 3, "nt1": "///C/3", "nt2": "///D/10", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.495, -0.182, 0.103, 2.749, -11.248, -1.389 ], "step_params": [ 0.268, 2.558, 3.339, 0.229, -7.475, 48.890 ], "heli_params": [ 3.596, -0.304, 2.943, -8.971, -0.275, 49.424 ], "bp2_params": [ 0.017, -0.003, 0.157, -0.555, -11.987, 1.959 ], "groove_widths": [ 12.174, null, 16.088, null ], "simple_Rise": 3.339, "simple_Twist": 51.266, "simple_hRise": 2.965, "simple_hTwist": 51.772 }, { "index": 4, "nt1": "///C/4", "nt2": "///D/9", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.017, -0.003, 0.157, -0.555, -11.987, 1.959 ], "step_params": [ 0.173, 0.092, 3.427, -3.683, 5.793, 31.599 ], "heli_params": [ -0.910, -0.994, 3.350, 10.484, 6.666, 32.317 ], "bp2_params": [ 0.087, -0.151, 0.168, -5.038, -6.922, 1.905 ], "groove_widths": [ 12.732, 12.724, 16.633, 16.622 ], "simple_Rise": 3.427, "simple_Twist": 31.094, "simple_hRise": 3.347, "simple_hTwist": 31.824 }, { "index": 5, "nt1": "///C/5", "nt2": "///D/8", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.087, -0.151, 0.168, -5.038, -6.922, 1.905 ], "step_params": [ -0.196, -0.508, 3.140, 1.570, 1.282, 29.795 ], "heli_params": [ -1.241, 0.691, 3.101, 2.489, -3.050, 29.862 ], "bp2_params": [ 0.173, -0.197, 0.060, 1.468, -4.269, -5.370 ], "groove_widths": [ 12.056, 12.048, 16.825, 16.757 ], "simple_Rise": 3.140, "simple_Twist": 29.441, "simple_hRise": 3.101, "simple_hTwist": 29.510 }, { "index": 6, "nt1": "///C/6", "nt2": "///D/7", "bp": "c-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.173, -0.197, 0.060, 1.468, -4.269, -5.370 ], "step_params": [ 0.609, -0.147, 3.656, 4.048, -0.232, 42.815 ], "heli_params": [ -0.175, -0.379, 3.697, -0.317, -5.530, 42.997 ], "bp2_params": [ -0.277, -0.213, -0.170, -9.457, -6.584, -0.264 ], "groove_widths": [ 10.015, 10.014, 21.775, 21.735 ], "simple_Rise": 3.656, "simple_Twist": 45.151, "simple_hRise": 3.695, "simple_hTwist": 45.323 }, { "index": 7, "nt1": "///C/7", "nt2": "///D/6", "bp": "G-c", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.277, -0.213, -0.170, -9.457, -6.584, -0.264 ], "step_params": [ -1.196, -0.519, 3.169, -4.087, -1.723, 30.650 ], "heli_params": [ -0.641, 1.454, 3.320, -3.238, 7.681, 30.962 ], "bp2_params": [ -0.224, -0.118, 0.191, -4.934, -10.945, -3.903 ], "groove_widths": [ 10.502, 10.492, 18.161, 18.158 ], "simple_Rise": 3.169, "simple_Twist": 30.182, "simple_hRise": 3.322, "simple_hTwist": 30.498 }, { "index": 8, "nt1": "///C/8", "nt2": "///D/5", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.224, -0.118, 0.191, -4.934, -10.945, -3.903 ], "step_params": [ -0.237, -0.168, 3.199, 1.611, 2.610, 29.544 ], "heli_params": [ -0.862, 0.792, 3.155, 5.101, -3.148, 29.699 ], "bp2_params": [ -0.033, -0.053, -0.086, -0.939, -15.911, -0.927 ], "groove_widths": [ 12.265, 12.245, 16.330, 16.327 ], "simple_Rise": 3.199, "simple_Twist": 28.977, "simple_hRise": 3.154, "simple_hTwist": 29.135 }, { "index": 9, "nt1": "///C/9", "nt2": "///D/4", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.033, -0.053, -0.086, -0.939, -15.911, -0.927 ], "step_params": [ 0.393, 1.507, 3.291, -0.430, -0.089, 44.774 ], "heli_params": [ 1.986, -0.556, 3.284, -0.117, 0.565, 44.776 ], "bp2_params": [ -0.306, -0.069, 0.022, -2.278, -4.923, -0.310 ], "groove_widths": [ 12.051, null, 16.442, null ], "simple_Rise": 3.291, "simple_Twist": 46.098, "simple_hRise": 3.284, "simple_hTwist": 46.100 }, { "index": 10, "nt1": "///C/10", "nt2": "///D/3", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.306, -0.069, 0.022, -2.278, -4.923, -0.310 ], "step_params": [ -0.351, 0.183, 3.328, -2.505, 2.744, 29.746 ], "heli_params": [ -0.227, 0.150, 3.349, 5.320, 4.855, 29.972 ], "bp2_params": [ -0.376, -0.200, 0.089, 1.791, -8.447, -1.378 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.328, "simple_Twist": 30.301, "simple_hRise": 3.349, "simple_hTwist": 30.522 }, { "index": 11, "nt1": "///C/11", "nt2": "///D/2", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.376, -0.200, 0.089, 1.791, -8.447, -1.378 ], "step_params": [ 0.619, -0.365, 3.324, 1.633, -2.222, 36.792 ], "heli_params": [ -0.269, -0.752, 3.363, -3.514, -2.583, 36.892 ], "bp2_params": [ 0.240, -0.107, -0.003, -0.229, -4.042, -1.499 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.324, "simple_Twist": 33.326, "simple_hRise": 3.366, "simple_hTwist": 33.436 }, { "index": 12, "nt1": "///C/12", "nt2": "///D/1", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W" } ] }, { "index": 2, "helix_index": 2, "strand1": "GCCAAcGTTGGC", "strand2": "CGGTTGcAACCG", "bp_type": "||||||||||||", "helix_form": "BB.BBBBBBBB", "helical_rise": 3.312, "helical_rise_std": 0.338, "helical_radius": 9.446, "helical_radius_std": 1.482, "helical_axis": [ 0.874, 0.476, 0.094 ], "point1": [ -32.088, -13.724, 17.793 ], "point2": [ -0.273, 3.616, 21.201 ], "num_pairs": 12, "pairs": [ { "index": 1, "nt1": "///E/1", "nt2": "///F/12", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.293, -0.207, -0.147, 1.506, -5.959, 0.031 ], "step_params": [ -0.881, -0.264, 3.408, -3.299, -1.398, 35.815 ], "heli_params": [ -0.218, 0.931, 3.480, -2.266, 5.347, 35.988 ], "bp2_params": [ 0.137, -0.078, 0.127, -4.840, -8.849, -1.042 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.408, "simple_Twist": 33.145, "simple_hRise": 3.485, "simple_hTwist": 33.332 }, { "index": 2, "nt1": "///E/2", "nt2": "///F/11", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.137, -0.078, 0.127, -4.840, -8.849, -1.042 ], "step_params": [ -0.255, 0.580, 3.125, 2.270, 4.033, 29.927 ], "heli_params": [ 0.324, 0.931, 3.147, 7.752, -4.362, 30.275 ], "bp2_params": [ 0.465, -0.144, 0.007, 2.187, -10.358, -0.841 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.125, "simple_Twist": 28.602, "simple_hRise": 3.146, "simple_hTwist": 28.966 }, { "index": 3, "nt1": "///E/3", "nt2": "///F/10", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.465, -0.144, 0.007, 2.187, -10.358, -0.841 ], "step_params": [ 0.127, 2.493, 3.311, -1.211, -7.409, 48.252 ], "heli_params": [ 3.558, -0.242, 2.918, -8.999, 1.471, 48.798 ], "bp2_params": [ -0.088, -0.109, 0.109, -1.183, -10.102, -0.987 ], "groove_widths": [ 12.151, null, 16.531, null ], "simple_Rise": 3.311, "simple_Twist": 51.054, "simple_hRise": 2.944, "simple_hTwist": 51.567 }, { "index": 4, "nt1": "///E/4", "nt2": "///F/9", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.088, -0.109, 0.109, -1.183, -10.102, -0.987 ], "step_params": [ 0.254, 0.145, 3.511, -2.674, 4.556, 32.019 ], "heli_params": [ -0.600, -0.959, 3.466, 8.190, 4.807, 32.441 ], "bp2_params": [ -0.102, -0.099, 0.062, -8.304, -8.561, 3.155 ], "groove_widths": [ 12.729, 12.720, 16.614, 16.605 ], "simple_Rise": 3.511, "simple_Twist": 32.013, "simple_hRise": 3.466, "simple_hTwist": 32.435 }, { "index": 5, "nt1": "///E/5", "nt2": "///F/8", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.102, -0.099, 0.062, -8.304, -8.561, 3.155 ], "step_params": [ -0.272, -0.328, 3.079, -0.146, 2.510, 31.086 ], "heli_params": [ -1.058, 0.479, 3.045, 4.674, 0.271, 31.185 ], "bp2_params": [ 0.270, -0.215, 0.104, 1.817, -2.631, -3.428 ], "groove_widths": [ 12.027, 12.018, 16.859, 16.761 ], "simple_Rise": 3.079, "simple_Twist": 29.263, "simple_hRise": 3.042, "simple_hTwist": 29.368 }, { "index": 6, "nt1": "///E/6", "nt2": "///F/7", "bp": "c-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.270, -0.215, 0.104, 1.817, -2.631, -3.428 ], "step_params": [ 0.565, -0.139, 3.661, 3.997, -1.703, 41.851 ], "heli_params": [ 0.005, -0.320, 3.700, -2.377, -5.578, 42.065 ], "bp2_params": [ -0.314, -0.223, -0.127, -9.357, -6.218, 0.451 ], "groove_widths": [ 9.924, 9.923, 21.820, 21.790 ], "simple_Rise": 3.661, "simple_Twist": 44.732, "simple_hRise": 3.698, "simple_hTwist": 44.932 }, { "index": 7, "nt1": "///E/7", "nt2": "///F/6", "bp": "G-c", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.314, -0.223, -0.127, -9.357, -6.218, 0.451 ], "step_params": [ -1.117, -0.510, 3.234, -3.658, -0.496, 30.731 ], "heli_params": [ -0.858, 1.379, 3.349, -0.931, 6.871, 30.947 ], "bp2_params": [ -0.144, -0.150, 0.253, -6.240, -10.468, -2.821 ], "groove_widths": [ 10.524, 10.513, 18.170, 18.158 ], "simple_Rise": 3.234, "simple_Twist": 29.631, "simple_hRise": 3.353, "simple_hTwist": 29.855 }, { "index": 8, "nt1": "///E/8", "nt2": "///F/5", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.144, -0.150, 0.253, -6.240, -10.468, -2.821 ], "step_params": [ -0.198, -0.153, 3.184, -0.169, 0.181, 29.679 ], "heli_params": [ -0.336, 0.353, 3.184, 0.354, 0.329, 29.680 ], "bp2_params": [ 0.165, -0.036, 0.149, 1.424, -11.280, -0.771 ], "groove_widths": [ 12.298, 12.278, 16.649, 16.641 ], "simple_Rise": 3.184, "simple_Twist": 28.605, "simple_hRise": 3.184, "simple_hTwist": 28.607 }, { "index": 9, "nt1": "///E/9", "nt2": "///F/4", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.165, -0.036, 0.149, 1.424, -11.280, -0.771 ], "step_params": [ 0.251, 1.441, 3.271, 1.525, -0.277, 44.034 ], "heli_params": [ 1.947, -0.191, 3.269, -0.370, -2.033, 44.060 ], "bp2_params": [ -0.461, -0.143, 0.074, -0.222, -6.394, -1.968 ], "groove_widths": [ 11.907, null, 16.356, null ], "simple_Rise": 3.271, "simple_Twist": 47.189, "simple_hRise": 3.269, "simple_hTwist": 47.213 }, { "index": 10, "nt1": "///E/10", "nt2": "///F/3", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.461, -0.143, 0.074, -0.222, -6.394, -1.968 ], "step_params": [ -0.275, 0.201, 3.384, -1.071, 1.579, 31.139 ], "heli_params": [ 0.062, 0.300, 3.397, 2.939, 1.993, 31.196 ], "bp2_params": [ -0.410, -0.259, -0.001, -0.043, -7.294, -3.173 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.384, "simple_Twist": 30.990, "simple_hRise": 3.397, "simple_hTwist": 31.047 }, { "index": 11, "nt1": "///E/11", "nt2": "///F/2", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.410, -0.259, -0.001, -0.043, -7.294, -3.173 ], "step_params": [ 0.855, -0.253, 3.248, 1.430, -0.453, 35.623 ], "heli_params": [ -0.347, -1.190, 3.282, -0.741, -2.335, 35.653 ], "bp2_params": [ 0.053, -0.087, -0.081, 0.812, -3.491, 0.111 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.248, "simple_Twist": 33.107, "simple_hRise": 3.284, "simple_hTwist": 33.140 }, { "index": 12, "nt1": "///E/12", "nt2": "///F/1", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W" } ] } ], "num_stacks": 0, "stacks": [], "dbn": { "all_chains": { "num_nts": 48, "num_chars": 51, "bseq": "GCCAAcGTTGGC&GCCAAcGTTGGC&GCCAAcGTTGGC&GCCAAcGTTGGC", "bseqUP": "GCCAACGTTGGC&GCCAACGTTGGC&GCCAACGTTGGC&GCCAACGTTGGC", "sstr": "((((((((((((&))))))))))))&((((((((((((&))))))))))))", "form": "BB.BBBBBBBB-&BB...BBB.BB-&BB.BBBBBBBB-&BB...BBB.BB-" }, "chain_C": { "num_nts": 12, "num_chars": 12, "bseq": "GCCAAcGTTGGC", "bseqUP": "GCCAACGTTGGC", "sstr": "((((((((((((", "form": "BB.BBBBBBBB-" }, "chain_D": { "num_nts": 12, "num_chars": 12, "bseq": "GCCAAcGTTGGC", "bseqUP": "GCCAACGTTGGC", "sstr": "))))))))))))", "form": "BB...BBB.BB-" }, "chain_E": { "num_nts": 12, "num_chars": 12, "bseq": "GCCAAcGTTGGC", "bseqUP": "GCCAACGTTGGC", "sstr": "((((((((((((", "form": "BB.BBBBBBBB-" }, "chain_F": { "num_nts": 12, "num_chars": 12, "bseq": "GCCAAcGTTGGC", "bseqUP": "GCCAACGTTGGC", "sstr": "))))))))))))", "form": "BB...BBB.BB-" } }, "chains": { "chain_C": { "num_nts": 12, "bseq": "GCCAAcGTTGGC", "sstr": "((((((((((((", "form": "BB.BBBBBBBB-", "helical_rise": 3.321, "helical_rise_std": 0.310, "helical_axis": [ 0.876, -0.474, -0.090 ], "point1": [ -35.045, 15.842, 47.912 ], "point2": [ -3.099, -1.426, 44.631 ], "num_chars": 34, "suite": "G!!C!!C4bA!!A!!c!!G!!T!!T4bG!!G!!C" }, "chain_D": { "num_nts": 12, "bseq": "GCCAAcGTTGGC", "sstr": "))))))))))))", "form": "BB...BBB.BB-", "helical_rise": 3.302, "helical_rise_std": 0.385, "helical_axis": [ -0.876, 0.473, 0.096 ], "point1": [ -3.358, -1.798, 43.868 ], "point2": [ -35.141, 15.362, 47.369 ], "num_chars": 34, "suite": "G!!C!!C4bA!!A1bc4bG!!T!!T4bG!!G!!C" }, "chain_E": { "num_nts": 12, "bseq": "GCCAAcGTTGGC", "sstr": "((((((((((((", "form": "BB.BBBBBBBB-", "helical_rise": 3.321, "helical_rise_std": 0.318, "helical_axis": [ 0.872, 0.481, 0.089 ], "point1": [ -32.074, -13.912, 17.481 ], "point2": [ -0.244, 3.619, 20.717 ], "num_chars": 34, "suite": "G!!C!!C4bA!!A!!c!!G!!T!!T4bG!!G!!C" }, "chain_F": { "num_nts": 12, "bseq": "GCCAAcGTTGGC", "sstr": "))))))))))))", "form": "BB...BBB.BB-", "helical_rise": 3.306, "helical_rise_std": 0.364, "helical_axis": [ -0.876, -0.472, -0.095 ], "point1": [ -0.397, 3.868, 21.548 ], "point2": [ -32.242, -13.291, 18.095 ], "num_chars": 34, "suite": "G!!C!!C4bA!!A1bc4bG!!T!!T4bG!!G!!C" } }, "num_nts": 48, "nts": [ { "index": 1, "index_chain": 1, "chain_name": "C", "nt_resnum": 1, "nt_name": "DG", "nt_code": "G", "nt_id": "///C/1", "linked_nts": [ null, "///C/2" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix-end,stem-end", "alpha": null, "beta": null, "gamma": -179.100, "delta": 145.110, "epsilon": 169.635, "zeta": -109.211, "epsilon_zeta": -81.154, "bb_type": "BI", "chi": -102.358, "glyco_bond": "anti", "C5prime_xyz": [ -1.832, 8.025, -1.853 ], "P_xyz": [ null, null, null ], "form": "B", "ssZp": 1.878, "Dp": 1.678, "splay_angle": 21.487, "splay_distance": 3.553, "splay_ratio": 0.186, "d22": null, "d64": null, "eta": null, "theta": null, "eta_prime": null, "theta_prime": null, "eta_base": null, "theta_base": null, "v0": -6.241, "v1": 24.483, "v2": -32.333, "v3": 29.275, "v4": -14.762, "amplitude": 32.621, "phase_angle": 187.620, "puckering": "C3'-exo", "sugar_class": "~C2'-endo", "bin": "inc", "cluster": "__", "suiteness": 0.000, "filter_rmsd": 0.005, "frame": { "rmsd": 0.005, "origin": [ -34.519, 17.751, 45.102 ], "x_axis": [ 0.270, 0.720, -0.640 ], "y_axis": [ 0.370, 0.536, 0.759 ], "z_axis": [ 0.889, -0.442, -0.122 ], "quaternion": [ 0.649, 0.463, 0.589, 0.135 ] } }, { "index": 2, "index_chain": 2, "chain_name": "C", "nt_resnum": 2, "nt_name": "DC", "nt_code": "C", "nt_id": "///C/2", "linked_nts": [ "///C/1", "///C/3" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -42.266, "beta": 177.200, "gamma": 47.458, "delta": 137.358, "epsilon": -164.757, "zeta": -87.542, "epsilon_zeta": -77.215, "bb_type": "BI", "chi": -111.309, "glyco_bond": "anti", "C5prime_xyz": [ -1.694, 8.438, -1.714 ], "P_xyz": [ 0.596, 9.451, -0.927 ], "form": "B", "ssZp": 1.071, "Dp": 1.556, "splay_angle": 18.651, "splay_distance": 3.203, "splay_ratio": 0.162, "d22": 4.411, "d64": 3.652, "eta": -172.882, "theta": -121.070, "eta_prime": -153.380, "theta_prime": -133.952, "eta_base": -113.086, "theta_base": -96.876, "v0": -15.941, "v1": 29.855, "v2": -32.041, "v3": 23.289, "v4": -4.722, "amplitude": 32.558, "phase_angle": 169.777, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.063, "frame": { "rmsd": 0.011, "origin": [ -31.751, 15.552, 44.755 ], "x_axis": [ 0.506, 0.856, -0.105 ], "y_axis": [ 0.085, 0.072, 0.994 ], "z_axis": [ 0.858, -0.512, -0.037 ], "quaternion": [ 0.621, 0.606, 0.388, 0.310 ] } }, { "index": 3, "index_chain": 3, "chain_name": "C", "nt_resnum": 3, "nt_name": "DC", "nt_code": "C", "nt_id": "///C/3", "linked_nts": [ "///C/2", "///C/4" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BII,canonical,non-pair-contact,helix,stem", "alpha": -70.797, "beta": 178.493, "gamma": 39.951, "delta": 145.426, "epsilon": -106.074, "zeta": 159.034, "epsilon_zeta": 94.892, "bb_type": "BII", "chi": -80.802, "glyco_bond": "anti", "C5prime_xyz": [ -3.292, 7.489, -2.723 ], "P_xyz": [ -1.373, 9.147, -3.466 ], "form": ".", "ssZp": 0.966, "Dp": 1.090, "splay_angle": 24.582, "splay_distance": 4.354, "splay_ratio": 0.245, "d22": null, "d64": null, "eta": 171.744, "theta": 167.325, "eta_prime": -157.847, "theta_prime": 168.324, "eta_base": -120.191, "theta_base": -121.858, "v0": -31.020, "v1": 42.638, "v2": -37.643, "v3": 20.736, "v4": 6.283, "amplitude": 42.273, "phase_angle": 152.931, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.062, "frame": { "rmsd": 0.007, "origin": [ -28.856, 14.212, 45.049 ], "x_axis": [ 0.481, 0.771, 0.416 ], "y_axis": [ -0.057, -0.446, 0.893 ], "z_axis": [ 0.875, -0.453, -0.171 ], "quaternion": [ 0.465, 0.724, 0.247, 0.446 ] } }, { "index": 4, "index_chain": 4, "chain_name": "C", "nt_resnum": 4, "nt_name": "DA", "nt_code": "A", "nt_id": "///C/4", "linked_nts": [ "///C/3", "///C/5" ], "nt_type": "DNA", "dbn": "(", "summary": "~C2'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -66.768, "beta": 147.414, "gamma": 47.119, "delta": 144.050, "epsilon": 175.001, "zeta": -92.060, "epsilon_zeta": -92.939, "bb_type": "BI", "chi": -84.650, "glyco_bond": "--", "C5prime_xyz": [ -1.899, 7.366, -2.667 ], "P_xyz": [ 0.748, 7.310, -2.600 ], "form": "B", "ssZp": 1.244, "Dp": 1.801, "splay_angle": 19.838, "splay_distance": 3.440, "splay_ratio": 0.173, "d22": null, "d64": null, "eta": 167.579, "theta": -116.379, "eta_prime": -160.958, "theta_prime": -154.949, "eta_base": -100.359, "theta_base": -114.310, "v0": -5.112, "v1": 22.412, "v2": -30.239, "v3": 27.823, "v4": -14.404, "amplitude": 30.614, "phase_angle": 188.978, "puckering": "C3'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "4b", "suiteness": 0.716, "filter_rmsd": 0.038, "frame": { "rmsd": 0.010, "origin": [ -26.460, 10.800, 46.303 ], "x_axis": [ 0.384, 0.081, 0.920 ], "y_axis": [ -0.407, -0.879, 0.247 ], "z_axis": [ 0.829, -0.469, -0.304 ], "quaternion": [ 0.224, 0.801, -0.102, 0.546 ] } }, { "index": 5, "index_chain": 5, "chain_name": "C", "nt_resnum": 5, "nt_name": "DA", "nt_code": "A", "nt_id": "///C/5", "linked_nts": [ "///C/4", "///C/6" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -56.787, "beta": 179.170, "gamma": 38.386, "delta": 123.643, "epsilon": -170.954, "zeta": -108.574, "epsilon_zeta": -62.380, "bb_type": "BI", "chi": -112.325, "glyco_bond": "anti", "C5prime_xyz": [ -2.492, 8.330, -1.866 ], "P_xyz": [ -0.388, 9.896, -2.030 ], "form": "B", "ssZp": 2.619, "Dp": 2.672, "splay_angle": 17.979, "splay_distance": 3.124, "splay_ratio": 0.157, "d22": null, "d64": null, "eta": 163.842, "theta": -158.387, "eta_prime": -178.365, "theta_prime": -164.922, "eta_base": -130.186, "theta_base": -135.606, "v0": -29.138, "v1": 30.749, "v2": -20.747, "v3": 4.363, "v4": 15.517, "amplitude": 31.036, "phase_angle": 131.949, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.038, "frame": { "rmsd": 0.005, "origin": [ -23.496, 9.083, 45.991 ], "x_axis": [ -0.008, -0.327, 0.945 ], "y_axis": [ -0.562, -0.780, -0.275 ], "z_axis": [ 0.827, -0.533, -0.178 ], "quaternion": [ 0.093, 0.698, -0.318, 0.634 ] } }, { "index": 6, "index_chain": 6, "chain_name": "C", "nt_resnum": 6, "nt_name": "5CM", "nt_code": "c", "is_modified": true, "nt_id": "///C/6", "linked_nts": [ "///C/5", "///C/7" ], "nt_type": "DNA", "dbn": "(", "summary": "modified,anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -63.897, "beta": 153.548, "gamma": 68.955, "delta": 119.423, "epsilon": -178.639, "zeta": -110.509, "epsilon_zeta": -68.130, "bb_type": "BI", "chi": -133.065, "glyco_bond": "anti", "C5prime_xyz": [ -2.870, 8.924, -1.027 ], "P_xyz": [ -0.529, 9.977, -1.559 ], "form": "B", "ssZp": 2.871, "Dp": 2.859, "splay_angle": 22.357, "splay_distance": 3.567, "splay_ratio": 0.194, "d22": null, "d64": null, "eta": 165.639, "theta": -159.664, "eta_prime": -168.161, "theta_prime": -170.435, "eta_base": -132.186, "theta_base": -117.949, "v0": -44.766, "v1": 39.817, "v2": -20.886, "v3": -4.775, "v4": 31.528, "amplitude": 44.486, "phase_angle": 118.001, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.075, "frame": { "rmsd": 0.038, "origin": [ -20.601, 7.914, 45.866 ], "x_axis": [ -0.265, -0.630, 0.730 ], "y_axis": [ -0.406, -0.614, -0.677 ], "z_axis": [ 0.875, -0.476, -0.092 ], "quaternion": [ -0.084, 0.600, -0.431, 0.668 ] } }, { "index": 7, "index_chain": 7, "chain_name": "C", "nt_resnum": 7, "nt_name": "DG", "nt_code": "G", "nt_id": "///C/7", "linked_nts": [ "///C/6", "///C/8" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -51.743, "beta": -178.713, "gamma": 53.511, "delta": 138.242, "epsilon": 172.833, "zeta": -94.377, "epsilon_zeta": -92.790, "bb_type": "BI", "chi": -114.117, "glyco_bond": "anti", "C5prime_xyz": [ -1.566, 8.452, -1.414 ], "P_xyz": [ 0.840, 9.140, -0.655 ], "form": "B", "ssZp": 1.644, "Dp": 1.872, "splay_angle": 21.034, "splay_distance": 3.576, "splay_ratio": 0.184, "d22": null, "d64": null, "eta": 178.819, "theta": -135.355, "eta_prime": -152.757, "theta_prime": -154.319, "eta_base": -97.794, "theta_base": -127.373, "v0": -13.374, "v1": 28.183, "v2": -31.488, "v3": 24.073, "v4": -6.948, "amplitude": 31.674, "phase_angle": 173.795, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.012, "frame": { "rmsd": 0.012, "origin": [ -17.705, 5.841, 46.056 ], "x_axis": [ -0.429, -0.903, 0.030 ], "y_axis": [ -0.100, 0.014, -0.995 ], "z_axis": [ 0.898, -0.430, -0.096 ], "quaternion": [ 0.350, -0.404, 0.620, -0.574 ] } }, { "index": 8, "index_chain": 8, "chain_name": "C", "nt_resnum": 8, "nt_name": "DT", "nt_code": "T", "nt_id": "///C/8", "linked_nts": [ "///C/7", "///C/9" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -72.560, "beta": -168.623, "gamma": 57.380, "delta": 125.067, "epsilon": -178.423, "zeta": -94.815, "epsilon_zeta": -83.608, "bb_type": "BI", "chi": -109.583, "glyco_bond": "anti", "C5prime_xyz": [ -2.357, 8.372, -2.041 ], "P_xyz": [ -0.184, 9.817, -1.522 ], "form": "B", "ssZp": 1.587, "Dp": 2.021, "splay_angle": 17.822, "splay_distance": 3.069, "splay_ratio": 0.156, "d22": 4.259, "d64": 3.854, "eta": 173.463, "theta": -143.034, "eta_prime": -164.658, "theta_prime": -152.570, "eta_base": -131.706, "theta_base": -115.700, "v0": -29.444, "v1": 35.110, "v2": -27.968, "v3": 11.357, "v4": 11.078, "amplitude": 34.905, "phase_angle": 143.250, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.107, "frame": { "rmsd": 0.010, "origin": [ -14.257, 5.142, 46.699 ], "x_axis": [ -0.334, -0.823, -0.460 ], "y_axis": [ 0.104, 0.453, -0.885 ], "z_axis": [ 0.937, -0.343, -0.065 ], "quaternion": [ 0.513, -0.264, 0.680, -0.451 ] } }, { "index": 9, "index_chain": 9, "chain_name": "C", "nt_resnum": 9, "nt_name": "DT", "nt_code": "T", "nt_id": "///C/9", "linked_nts": [ "///C/8", "///C/10" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,canonical,non-pair-contact,helix,stem", "alpha": -53.188, "beta": -176.703, "gamma": 36.074, "delta": 142.316, "epsilon": -153.631, "zeta": -151.254, "epsilon_zeta": -2.377, "bb_type": "--", "chi": -92.663, "glyco_bond": "anti", "C5prime_xyz": [ -2.974, 7.809, -2.424 ], "P_xyz": [ -1.099, 9.639, -2.533 ], "form": "B", "ssZp": 1.713, "Dp": 1.801, "splay_angle": 22.103, "splay_distance": 3.651, "splay_ratio": 0.199, "d22": null, "d64": null, "eta": 172.736, "theta": -169.216, "eta_prime": -164.565, "theta_prime": -171.196, "eta_base": -125.112, "theta_base": -112.908, "v0": -29.022, "v1": 39.332, "v2": -34.257, "v3": 18.475, "v4": 6.507, "amplitude": 38.849, "phase_angle": 151.862, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.105, "frame": { "rmsd": 0.005, "origin": [ -11.551, 3.693, 46.660 ], "x_axis": [ -0.199, -0.492, -0.847 ], "y_axis": [ 0.366, 0.765, -0.530 ], "z_axis": [ 0.909, -0.415, 0.028 ], "quaternion": [ 0.631, -0.045, 0.696, -0.340 ] } }, { "index": 10, "index_chain": 10, "chain_name": "C", "nt_resnum": 10, "nt_name": "DG", "nt_code": "G", "nt_id": "///C/10", "linked_nts": [ "///C/9", "///C/11" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -41.236, "beta": 156.749, "gamma": 41.120, "delta": 137.810, "epsilon": 178.046, "zeta": -100.063, "epsilon_zeta": -81.891, "bb_type": "BI", "chi": -91.730, "glyco_bond": "anti", "C5prime_xyz": [ -2.014, 7.805, -2.424 ], "P_xyz": [ 0.518, 8.362, -2.264 ], "form": "B", "ssZp": 1.206, "Dp": 1.537, "splay_angle": 19.787, "splay_distance": 3.391, "splay_ratio": 0.172, "d22": null, "d64": null, "eta": 174.645, "theta": -134.445, "eta_prime": -158.537, "theta_prime": -159.655, "eta_base": -104.514, "theta_base": -123.590, "v0": -9.730, "v1": 25.419, "v2": -30.944, "v3": 25.790, "v4": -10.274, "amplitude": 30.946, "phase_angle": 180.550, "puckering": "C3'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "4b", "suiteness": 0.010, "filter_rmsd": 0.005, "frame": { "rmsd": 0.005, "origin": [ -8.011, 3.301, 45.858 ], "x_axis": [ 0.073, 0.216, -0.974 ], "y_axis": [ 0.467, 0.855, 0.225 ], "z_axis": [ 0.881, -0.471, -0.039 ], "quaternion": [ 0.687, 0.253, 0.675, -0.091 ] } }, { "index": 11, "index_chain": 11, "chain_name": "C", "nt_resnum": 11, "nt_name": "DG", "nt_code": "G", "nt_id": "///C/11", "linked_nts": [ "///C/10", "///C/12" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -50.813, "beta": 179.736, "gamma": 38.518, "delta": 129.611, "epsilon": -177.891, "zeta": -96.185, "epsilon_zeta": -81.705, "bb_type": "BI", "chi": -97.545, "glyco_bond": "anti", "C5prime_xyz": [ -2.636, 7.975, -2.390 ], "P_xyz": [ -0.565, 9.604, -2.421 ], "form": "B", "ssZp": 1.847, "Dp": 2.121, "splay_angle": 19.330, "splay_distance": 3.431, "splay_ratio": 0.171, "d22": null, "d64": null, "eta": 169.820, "theta": -144.828, "eta_prime": -169.814, "theta_prime": -162.633, "eta_base": -131.049, "theta_base": -112.121, "v0": -27.394, "v1": 35.859, "v2": -30.436, "v3": 15.257, "v4": 7.357, "amplitude": 35.353, "phase_angle": 149.421, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.008, "frame": { "rmsd": 0.008, "origin": [ -5.052, 1.646, 45.856 ], "x_axis": [ 0.281, 0.612, -0.739 ], "y_axis": [ 0.393, 0.629, 0.670 ], "z_axis": [ 0.875, -0.480, -0.064 ], "quaternion": [ 0.680, 0.423, 0.594, 0.080 ] } }, { "index": 12, "index_chain": 12, "chain_name": "C", "nt_resnum": 12, "nt_name": "DC", "nt_code": "C", "nt_id": "///C/12", "linked_nts": [ "///C/11", null ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C3'-endo,canonical,non-pair-contact,helix-end,stem-end", "alpha": -65.229, "beta": 162.722, "gamma": 61.189, "delta": 80.710, "epsilon": null, "zeta": null, "epsilon_zeta": null, "bb_type": "--", "chi": -137.439, "glyco_bond": "anti", "C5prime_xyz": [ -2.684, 8.841, -1.209 ], "P_xyz": [ -0.528, 10.189, -1.811 ], "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": -31.368, "v1": 9.147, "v2": 14.743, "v3": -33.683, "v4": 41.319, "amplitude": 40.325, "phase_angle": 68.556, "puckering": "C4'-exo", "sugar_class": "~C3'-endo", "bin": "23p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.062, "frame": { "rmsd": 0.005, "origin": [ -1.911, 0.835, 44.741 ], "x_axis": [ 0.471, 0.860, -0.195 ], "y_axis": [ 0.187, 0.118, 0.975 ], "z_axis": [ 0.862, -0.496, -0.105 ], "quaternion": [ 0.609, 0.604, 0.434, 0.276 ] } }, { "index": 13, "index_chain": 1, "chain_name": "D", "nt_resnum": 1, "nt_name": "DG", "nt_code": "G", "nt_id": "///D/1", "linked_nts": [ null, "///D/2" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix-end,stem-end", "alpha": null, "beta": null, "gamma": 165.427, "delta": 148.832, "epsilon": 173.787, "zeta": -103.537, "epsilon_zeta": -82.676, "bb_type": "BI", "chi": -103.708, "glyco_bond": "anti", "C5prime_xyz": [ -1.718, 8.147, -1.742 ], "P_xyz": [ null, null, null ], "form": "B", "ssZp": 1.609, "Dp": 1.798, "splay_angle": 20.436, "splay_distance": 3.406, "splay_ratio": 0.178, "d22": null, "d64": null, "eta": null, "theta": null, "eta_prime": null, "theta_prime": null, "eta_base": null, "theta_base": null, "v0": -11.276, "v1": 30.581, "v2": -37.061, "v3": 31.326, "v4": -12.779, "amplitude": 37.068, "phase_angle": 181.129, "puckering": "C3'-exo", "sugar_class": "~C2'-endo", "bin": "inc", "cluster": "__", "suiteness": 0.000, "filter_rmsd": 0.012, "frame": { "rmsd": 0.012, "origin": [ -1.995, 0.634, 44.888 ], "x_axis": [ 0.414, 0.896, -0.161 ], "y_axis": [ -0.179, -0.093, -0.979 ], "z_axis": [ -0.893, 0.434, 0.121 ], "quaternion": [ 0.600, -0.589, -0.305, 0.447 ] } }, { "index": 14, "index_chain": 2, "chain_name": "D", "nt_resnum": 2, "nt_name": "DC", "nt_code": "C", "nt_id": "///D/2", "linked_nts": [ "///D/1", "///D/3" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -59.801, "beta": -174.482, "gamma": 49.897, "delta": 128.677, "epsilon": -169.094, "zeta": -102.925, "epsilon_zeta": -66.170, "bb_type": "BI", "chi": -108.994, "glyco_bond": "anti", "C5prime_xyz": [ -2.064, 8.362, -1.928 ], "P_xyz": [ 0.228, 9.604, -1.459 ], "form": "B", "ssZp": 1.792, "Dp": 2.165, "splay_angle": 19.250, "splay_distance": 3.319, "splay_ratio": 0.167, "d22": 4.212, "d64": 3.628, "eta": 175.836, "theta": -136.334, "eta_prime": -166.967, "theta_prime": -142.603, "eta_base": -119.968, "theta_base": -106.334, "v0": -22.455, "v1": 30.380, "v2": -26.738, "v3": 14.193, "v4": 5.045, "amplitude": 30.272, "phase_angle": 152.037, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.063, "frame": { "rmsd": 0.007, "origin": [ -4.974, 2.055, 45.729 ], "x_axis": [ 0.158, 0.689, -0.707 ], "y_axis": [ -0.360, -0.627, -0.691 ], "z_axis": [ -0.919, 0.364, 0.149 ], "quaternion": [ -0.412, 0.639, 0.129, -0.636 ] } }, { "index": 15, "index_chain": 3, "chain_name": "D", "nt_resnum": 3, "nt_name": "DC", "nt_code": "C", "nt_id": "///D/3", "linked_nts": [ "///D/2", "///D/4" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BII,canonical,non-pair-contact,helix,stem", "alpha": -31.751, "beta": 165.642, "gamma": 26.701, "delta": 152.346, "epsilon": -115.173, "zeta": 167.213, "epsilon_zeta": 77.614, "bb_type": "BII", "chi": -86.773, "glyco_bond": "anti", "C5prime_xyz": [ -3.061, 7.760, -2.454 ], "P_xyz": [ -1.021, 9.503, -2.710 ], "form": ".", "ssZp": 1.302, "Dp": 1.270, "splay_angle": 21.145, "splay_distance": 3.635, "splay_ratio": 0.200, "d22": null, "d64": null, "eta": 179.789, "theta": 179.148, "eta_prime": -151.576, "theta_prime": 176.133, "eta_base": -115.134, "theta_base": -125.743, "v0": -26.326, "v1": 42.337, "v2": -41.510, "v3": 27.802, "v4": -1.031, "amplitude": 43.481, "phase_angle": 162.684, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.062, "frame": { "rmsd": 0.006, "origin": [ -7.986, 3.443, 45.578 ], "x_axis": [ 0.000, 0.262, -0.965 ], "y_axis": [ -0.502, -0.835, -0.226 ], "z_axis": [ -0.865, 0.484, 0.131 ], "quaternion": [ 0.272, -0.653, 0.092, 0.701 ] } }, { "index": 16, "index_chain": 4, "chain_name": "D", "nt_resnum": 4, "nt_name": "DA", "nt_code": "A", "nt_id": "///D/4", "linked_nts": [ "///D/3", "///D/5" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -54.321, "beta": 144.271, "gamma": 40.734, "delta": 149.720, "epsilon": -167.840, "zeta": -93.487, "epsilon_zeta": -74.353, "bb_type": "BI", "chi": -89.493, "glyco_bond": "anti", "C5prime_xyz": [ -1.929, 7.658, -2.541 ], "P_xyz": [ 0.688, 8.017, -2.289 ], "form": ".", "ssZp": 1.018, "Dp": 1.492, "splay_angle": 18.771, "splay_distance": 3.358, "splay_ratio": 0.167, "d22": null, "d64": null, "eta": 171.259, "theta": -105.907, "eta_prime": -159.412, "theta_prime": -143.904, "eta_base": -108.586, "theta_base": -106.355, "v0": -9.302, "v1": 28.457, "v2": -36.132, "v3": 31.485, "v4": -13.874, "amplitude": 36.216, "phase_angle": 183.910, "puckering": "C3'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "4b", "suiteness": 0.569, "filter_rmsd": 0.039, "frame": { "rmsd": 0.010, "origin": [ -11.467, 3.678, 46.597 ], "x_axis": [ -0.433, -0.346, -0.832 ], "y_axis": [ -0.385, -0.764, 0.518 ], "z_axis": [ -0.815, 0.545, 0.198 ], "quaternion": [ 0.013, -0.532, 0.344, 0.774 ] } }, { "index": 17, "index_chain": 5, "chain_name": "D", "nt_resnum": 5, "nt_name": "DA", "nt_code": "A", "nt_id": "///D/5", "linked_nts": [ "///D/4", "///D/6" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -69.054, "beta": 164.887, "gamma": 50.541, "delta": 104.208, "epsilon": 172.525, "zeta": -90.465, "epsilon_zeta": -97.010, "bb_type": "BI", "chi": -108.481, "glyco_bond": "anti", "C5prime_xyz": [ -3.517, 8.012, -2.183 ], "P_xyz": [ -1.850, 9.737, -3.227 ], "form": ".", "ssZp": 2.502, "Dp": 2.558, "splay_angle": 18.493, "splay_distance": 3.282, "splay_ratio": 0.164, "d22": null, "d64": null, "eta": 158.653, "theta": -165.033, "eta_prime": -177.811, "theta_prime": -169.520, "eta_base": -135.786, "theta_base": -122.043, "v0": -43.126, "v1": 36.051, "v2": -15.567, "v3": -9.008, "v4": 32.450, "amplitude": 42.175, "phase_angle": 111.660, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "23p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.038, "frame": { "rmsd": 0.005, "origin": [ -14.503, 5.108, 46.501 ], "x_axis": [ -0.494, -0.708, -0.505 ], "y_axis": [ -0.209, -0.467, 0.859 ], "z_axis": [ -0.844, 0.530, 0.083 ], "quaternion": [ -0.174, -0.472, 0.486, 0.715 ] } }, { "index": 18, "index_chain": 6, "chain_name": "D", "nt_resnum": 6, "nt_name": "5CM", "nt_code": "c", "is_modified": true, "nt_id": "///D/6", "linked_nts": [ "///D/5", "///D/7" ], "nt_type": "DNA", "dbn": ")", "summary": "modified,anti,~C2'-endo,BII,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -49.294, "beta": 167.588, "gamma": 50.363, "delta": 142.115, "epsilon": -103.407, "zeta": 173.504, "epsilon_zeta": 83.089, "bb_type": "BII", "chi": -109.134, "glyco_bond": "anti", "C5prime_xyz": [ -3.422, 8.350, -1.594 ], "P_xyz": [ -1.493, 10.041, -1.922 ], "form": "B", "ssZp": 1.952, "Dp": 1.924, "splay_angle": 23.583, "splay_distance": 3.855, "splay_ratio": 0.205, "d22": null, "d64": null, "eta": -167.613, "theta": -178.530, "eta_prime": -146.862, "theta_prime": -178.170, "eta_base": -100.853, "theta_base": -129.967, "v0": -39.938, "v1": 45.158, "v2": -30.770, "v3": 9.392, "v4": 19.253, "amplitude": 43.574, "phase_angle": 134.923, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "32p", "cluster": "1b", "suiteness": 0.015, "filter_rmsd": 0.071, "frame": { "rmsd": 0.039, "origin": [ -17.694, 5.512, 45.849 ], "x_axis": [ -0.530, -0.848, 0.027 ], "y_axis": [ -0.047, 0.061, 0.997 ], "z_axis": [ -0.847, 0.527, -0.072 ], "quaternion": [ -0.339, -0.347, 0.645, 0.591 ] } }, { "index": 19, "index_chain": 7, "chain_name": "D", "nt_resnum": 7, "nt_name": "DG", "nt_code": "G", "nt_id": "///D/7", "linked_nts": [ "///D/6", "///D/8" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -64.511, "beta": 153.846, "gamma": 34.264, "delta": 144.596, "epsilon": -167.977, "zeta": -113.363, "epsilon_zeta": -54.615, "bb_type": "BI", "chi": -108.778, "glyco_bond": "anti", "C5prime_xyz": [ -1.824, 8.374, -1.684 ], "P_xyz": [ 0.574, 9.161, -0.876 ], "form": "B", "ssZp": 1.432, "Dp": 1.755, "splay_angle": 18.429, "splay_distance": 3.251, "splay_ratio": 0.164, "d22": null, "d64": null, "eta": 171.055, "theta": -122.636, "eta_prime": -165.901, "theta_prime": -144.000, "eta_base": -118.480, "theta_base": -103.931, "v0": -16.471, "v1": 32.584, "v2": -36.028, "v3": 26.933, "v4": -6.819, "amplitude": 36.369, "phase_angle": 172.142, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "4b", "suiteness": 0.637, "filter_rmsd": 0.011, "frame": { "rmsd": 0.011, "origin": [ -20.678, 7.941, 45.610 ], "x_axis": [ -0.367, -0.646, 0.669 ], "y_axis": [ 0.398, 0.542, 0.741 ], "z_axis": [ -0.841, 0.538, 0.058 ], "quaternion": [ 0.555, 0.091, -0.680, -0.470 ] } }, { "index": 20, "index_chain": 8, "chain_name": "D", "nt_resnum": 8, "nt_name": "DT", "nt_code": "T", "nt_id": "///D/8", "linked_nts": [ "///D/7", "///D/9" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -27.176, "beta": 157.828, "gamma": 25.474, "delta": 118.087, "epsilon": -174.195, "zeta": -103.604, "epsilon_zeta": -70.591, "bb_type": "BI", "chi": -106.176, "glyco_bond": "anti", "C5prime_xyz": [ -2.761, 8.109, -2.401 ], "P_xyz": [ -0.832, 9.982, -2.269 ], "form": "B", "ssZp": 1.738, "Dp": 2.210, "splay_angle": 20.108, "splay_distance": 3.428, "splay_ratio": 0.175, "d22": 4.418, "d64": 3.755, "eta": 168.759, "theta": -156.417, "eta_prime": -168.777, "theta_prime": -158.660, "eta_base": -121.766, "theta_base": -121.465, "v0": -34.145, "v1": 34.569, "v2": -22.676, "v3": 3.458, "v4": 19.091, "amplitude": 35.571, "phase_angle": 129.605, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.106, "frame": { "rmsd": 0.010, "origin": [ -23.714, 9.072, 45.886 ], "x_axis": [ -0.093, -0.238, 0.967 ], "y_axis": [ 0.489, 0.835, 0.253 ], "z_axis": [ -0.867, 0.496, 0.039 ], "quaternion": [ 0.667, -0.091, -0.687, -0.272 ] } }, { "index": 21, "index_chain": 9, "chain_name": "D", "nt_resnum": 9, "nt_name": "DT", "nt_code": "T", "nt_id": "///D/9", "linked_nts": [ "///D/8", "///D/10" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BII,canonical,non-pair-contact,helix,stem", "alpha": -49.544, "beta": 173.769, "gamma": 39.554, "delta": 145.761, "epsilon": -109.406, "zeta": 168.737, "epsilon_zeta": 81.858, "bb_type": "BII", "chi": -93.595, "glyco_bond": "anti", "C5prime_xyz": [ -2.940, 7.876, -2.323 ], "P_xyz": [ -0.821, 9.432, -2.563 ], "form": ".", "ssZp": 1.150, "Dp": 1.143, "splay_angle": 22.947, "splay_distance": 4.089, "splay_ratio": 0.227, "d22": null, "d64": null, "eta": -173.340, "theta": 175.824, "eta_prime": -154.242, "theta_prime": 176.609, "eta_base": -119.287, "theta_base": -121.720, "v0": -28.889, "v1": 41.503, "v2": -37.748, "v3": 22.072, "v4": 4.193, "amplitude": 41.425, "phase_angle": 155.676, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.107, "frame": { "rmsd": 0.004, "origin": [ -26.602, 10.866, 46.321 ], "x_axis": [ 0.216, 0.206, 0.954 ], "y_axis": [ 0.388, 0.879, -0.277 ], "z_axis": [ -0.896, 0.431, 0.110 ], "quaternion": [ 0.742, -0.238, -0.623, -0.061 ] } }, { "index": 22, "index_chain": 10, "chain_name": "D", "nt_resnum": 10, "nt_name": "DG", "nt_code": "G", "nt_id": "///D/10", "linked_nts": [ "///D/9", "///D/11" ], "nt_type": "DNA", "dbn": ")", "summary": "~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -63.937, "beta": 145.110, "gamma": 47.433, "delta": 142.548, "epsilon": 178.390, "zeta": -92.640, "epsilon_zeta": -88.970, "bb_type": "BI", "chi": -86.666, "glyco_bond": "--", "C5prime_xyz": [ -1.744, 7.634, -2.567 ], "P_xyz": [ 0.881, 7.593, -2.366 ], "form": "B", "ssZp": 1.009, "Dp": 1.577, "splay_angle": 19.379, "splay_distance": 3.323, "splay_ratio": 0.168, "d22": null, "d64": null, "eta": 168.369, "theta": -114.930, "eta_prime": -158.911, "theta_prime": -150.337, "eta_base": -105.635, "theta_base": -106.067, "v0": -6.530, "v1": 24.147, "v2": -31.966, "v3": 28.614, "v4": -14.024, "amplitude": 32.202, "phase_angle": 186.932, "puckering": "C3'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "4b", "suiteness": 0.673, "filter_rmsd": 0.014, "frame": { "rmsd": 0.014, "origin": [ -29.160, 13.771, 45.004 ], "x_axis": [ 0.300, 0.836, 0.459 ], "y_axis": [ 0.111, 0.447, -0.888 ], "z_axis": [ -0.948, 0.317, 0.042 ], "quaternion": [ 0.669, -0.450, -0.526, 0.271 ] } }, { "index": 23, "index_chain": 11, "chain_name": "D", "nt_resnum": 11, "nt_name": "DG", "nt_code": "G", "nt_id": "///D/11", "linked_nts": [ "///D/10", "///D/12" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -63.354, "beta": 177.185, "gamma": 46.085, "delta": 118.533, "epsilon": 175.407, "zeta": -93.942, "epsilon_zeta": -90.652, "bb_type": "BI", "chi": -98.372, "glyco_bond": "anti", "C5prime_xyz": [ -2.981, 7.955, -2.375 ], "P_xyz": [ -0.862, 9.433, -2.889 ], "form": "B", "ssZp": 2.146, "Dp": 2.322, "splay_angle": 19.720, "splay_distance": 3.475, "splay_ratio": 0.173, "d22": null, "d64": null, "eta": 163.080, "theta": -152.001, "eta_prime": -172.014, "theta_prime": -168.044, "eta_base": -123.908, "theta_base": -117.187, "v0": -31.577, "v1": 33.075, "v2": -22.006, "v3": 4.330, "v4": 17.014, "amplitude": 33.402, "phase_angle": 131.210, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.007, "frame": { "rmsd": 0.007, "origin": [ -31.931, 15.603, 44.893 ], "x_axis": [ 0.354, 0.932, -0.083 ], "y_axis": [ -0.129, -0.039, -0.991 ], "z_axis": [ -0.926, 0.361, 0.106 ], "quaternion": [ 0.596, -0.567, -0.354, 0.445 ] } }, { "index": 24, "index_chain": 12, "chain_name": "D", "nt_resnum": 12, "nt_name": "DC", "nt_code": "C", "nt_id": "///D/12", "linked_nts": [ "///D/11", null ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C3'-endo,canonical,non-pair-contact,helix-end,stem-end", "alpha": -52.759, "beta": 162.129, "gamma": 57.561, "delta": 83.972, "epsilon": null, "zeta": null, "epsilon_zeta": null, "bb_type": "--", "chi": -138.404, "glyco_bond": "anti", "C5prime_xyz": [ -2.697, 8.814, -1.174 ], "P_xyz": [ -0.488, 10.153, -1.618 ], "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": -32.065, "v1": 9.917, "v2": 14.063, "v3": -33.217, "v4": 41.366, "amplitude": 40.401, "phase_angle": 69.630, "puckering": "C4'-exo", "sugar_class": "~C3'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.062, "frame": { "rmsd": 0.003, "origin": [ -34.394, 18.051, 44.989 ], "x_axis": [ 0.189, 0.743, -0.642 ], "y_axis": [ -0.365, -0.554, -0.748 ], "z_axis": [ -0.912, 0.376, 0.167 ], "quaternion": [ -0.448, 0.628, 0.151, -0.619 ] } }, { "index": 25, "index_chain": 1, "chain_name": "E", "nt_resnum": 1, "nt_name": "DG", "nt_code": "G", "nt_id": "///E/1", "linked_nts": [ null, "///E/2" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix-end,stem-end", "alpha": null, "beta": null, "gamma": -176.272, "delta": 149.962, "epsilon": 168.434, "zeta": -106.020, "epsilon_zeta": -85.546, "bb_type": "BI", "chi": -99.580, "glyco_bond": "anti", "C5prime_xyz": [ -1.774, 7.881, -1.943 ], "P_xyz": [ null, null, null ], "form": "B", "ssZp": 1.757, "Dp": 1.530, "splay_angle": 21.860, "splay_distance": 3.609, "splay_ratio": 0.190, "d22": null, "d64": null, "eta": null, "theta": null, "eta_prime": null, "theta_prime": null, "eta_base": null, "theta_base": null, "v0": -4.005, "v1": 23.441, "v2": -32.639, "v3": 31.028, "v4": -17.298, "amplitude": 33.336, "phase_angle": 191.742, "puckering": "C3'-exo", "sugar_class": "~C2'-endo", "bin": "inc", "cluster": "__", "suiteness": 0.000, "filter_rmsd": 0.005, "frame": { "rmsd": 0.005, "origin": [ -31.630, -15.707, 20.201 ], "x_axis": [ 0.297, -0.702, 0.647 ], "y_axis": [ 0.392, -0.529, -0.753 ], "z_axis": [ 0.871, 0.477, 0.118 ], "quaternion": [ -0.471, 0.653, -0.119, 0.581 ] } }, { "index": 26, "index_chain": 2, "chain_name": "E", "nt_resnum": 2, "nt_name": "DC", "nt_code": "C", "nt_id": "///E/2", "linked_nts": [ "///E/1", "///E/3" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -50.201, "beta": -178.059, "gamma": 49.208, "delta": 139.737, "epsilon": -162.442, "zeta": -91.313, "epsilon_zeta": -71.128, "bb_type": "BI", "chi": -109.936, "glyco_bond": "anti", "C5prime_xyz": [ -1.676, 8.389, -1.797 ], "P_xyz": [ 0.606, 9.448, -1.044 ], "form": "B", "ssZp": 0.991, "Dp": 1.513, "splay_angle": 18.276, "splay_distance": 3.117, "splay_ratio": 0.159, "d22": 4.385, "d64": 3.584, "eta": -174.159, "theta": -123.094, "eta_prime": -154.428, "theta_prime": -135.477, "eta_base": -112.228, "theta_base": -99.865, "v0": -15.794, "v1": 29.754, "v2": -32.028, "v3": 23.438, "v4": -4.860, "amplitude": 32.515, "phase_angle": 170.074, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.063, "frame": { "rmsd": 0.009, "origin": [ -28.752, -13.560, 20.562 ], "x_axis": [ 0.498, -0.862, 0.092 ], "y_axis": [ 0.073, -0.064, -0.995 ], "z_axis": [ 0.864, 0.503, 0.032 ], "quaternion": [ 0.605, -0.619, 0.319, -0.386 ] } }, { "index": 27, "index_chain": 3, "chain_name": "E", "nt_resnum": 3, "nt_name": "DC", "nt_code": "C", "nt_id": "///E/3", "linked_nts": [ "///E/2", "///E/4" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BII,canonical,non-pair-contact,helix,stem", "alpha": -71.597, "beta": -179.979, "gamma": 38.993, "delta": 145.993, "epsilon": -105.728, "zeta": 159.315, "epsilon_zeta": 94.957, "bb_type": "BII", "chi": -79.774, "glyco_bond": "anti", "C5prime_xyz": [ -3.224, 7.384, -2.777 ], "P_xyz": [ -1.302, 9.021, -3.504 ], "form": ".", "ssZp": 0.794, "Dp": 0.972, "splay_angle": 23.969, "splay_distance": 4.253, "splay_ratio": 0.236, "d22": null, "d64": null, "eta": 173.036, "theta": 167.806, "eta_prime": -157.935, "theta_prime": 168.014, "eta_base": -122.371, "theta_base": -124.186, "v0": -30.005, "v1": 41.459, "v2": -36.596, "v3": 20.514, "v4": 5.807, "amplitude": 40.980, "phase_angle": 153.255, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.061, "frame": { "rmsd": 0.006, "origin": [ -25.991, -12.147, 20.247 ], "x_axis": [ 0.456, -0.788, -0.414 ], "y_axis": [ -0.051, 0.442, -0.896 ], "z_axis": [ 0.888, 0.430, 0.161 ], "quaternion": [ 0.717, -0.462, 0.454, -0.257 ] } }, { "index": 28, "index_chain": 4, "chain_name": "E", "nt_resnum": 4, "nt_name": "DA", "nt_code": "A", "nt_id": "///E/4", "linked_nts": [ "///E/3", "///E/5" ], "nt_type": "DNA", "dbn": "(", "summary": "~C2'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -65.550, "beta": 145.775, "gamma": 45.545, "delta": 142.008, "epsilon": 175.956, "zeta": -89.752, "epsilon_zeta": -94.292, "bb_type": "BI", "chi": -85.951, "glyco_bond": "--", "C5prime_xyz": [ -1.948, 7.431, -2.648 ], "P_xyz": [ 0.686, 7.529, -2.509 ], "form": "B", "ssZp": 1.053, "Dp": 1.580, "splay_angle": 20.243, "splay_distance": 3.508, "splay_ratio": 0.177, "d22": null, "d64": null, "eta": 168.389, "theta": -118.176, "eta_prime": -159.181, "theta_prime": -158.115, "eta_base": -101.430, "theta_base": -112.003, "v0": -4.747, "v1": 22.391, "v2": -30.831, "v3": 28.577, "v4": -15.176, "amplitude": 31.300, "phase_angle": 189.932, "puckering": "C3'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "4b", "suiteness": 0.676, "filter_rmsd": 0.038, "frame": { "rmsd": 0.010, "origin": [ -23.570, -8.829, 19.145 ], "x_axis": [ 0.373, -0.140, -0.917 ], "y_axis": [ -0.397, 0.869, -0.294 ], "z_axis": [ 0.839, 0.474, 0.268 ], "quaternion": [ 0.792, -0.242, 0.554, 0.081 ] } }, { "index": 29, "index_chain": 5, "chain_name": "E", "nt_resnum": 5, "nt_name": "DA", "nt_code": "A", "nt_id": "///E/5", "linked_nts": [ "///E/4", "///E/6" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -66.108, "beta": -179.968, "gamma": 44.565, "delta": 113.189, "epsilon": -177.506, "zeta": -93.415, "epsilon_zeta": -84.091, "bb_type": "BI", "chi": -117.950, "glyco_bond": "anti", "C5prime_xyz": [ -2.476, 8.407, -1.789 ], "P_xyz": [ -0.343, 9.894, -2.055 ], "form": "B", "ssZp": 2.731, "Dp": 2.902, "splay_angle": 18.023, "splay_distance": 3.119, "splay_ratio": 0.157, "d22": null, "d64": null, "eta": 162.635, "theta": -159.967, "eta_prime": 177.813, "theta_prime": -164.936, "eta_base": -129.241, "theta_base": -134.577, "v0": -30.013, "v1": 25.338, "v2": -11.599, "v3": -5.482, "v4": 22.358, "amplitude": 29.414, "phase_angle": 113.225, "puckering": "C1'-exo", "sugar_class": "pucker-CHK", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.037, "frame": { "rmsd": 0.005, "origin": [ -20.560, -7.045, 19.390 ], "x_axis": [ 0.011, 0.335, -0.942 ], "y_axis": [ -0.569, 0.777, 0.269 ], "z_axis": [ 0.822, 0.533, 0.199 ], "quaternion": [ 0.705, -0.094, 0.626, 0.321 ] } }, { "index": 30, "index_chain": 6, "chain_name": "E", "nt_resnum": 6, "nt_name": "5CM", "nt_code": "c", "is_modified": true, "nt_id": "///E/6", "linked_nts": [ "///E/5", "///E/7" ], "nt_type": "DNA", "dbn": "(", "summary": "modified,anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -63.992, "beta": 168.221, "gamma": 61.374, "delta": 123.280, "epsilon": 170.427, "zeta": -101.461, "epsilon_zeta": -88.112, "bb_type": "BI", "chi": -126.137, "glyco_bond": "anti", "C5prime_xyz": [ -2.499, 8.814, -1.290 ], "P_xyz": [ -0.143, 9.932, -1.570 ], "form": "B", "ssZp": 2.767, "Dp": 2.765, "splay_angle": 22.252, "splay_distance": 3.557, "splay_ratio": 0.193, "d22": null, "d64": null, "eta": 164.717, "theta": -158.252, "eta_prime": -167.569, "theta_prime": -169.760, "eta_base": -130.046, "theta_base": -119.070, "v0": -37.974, "v1": 38.566, "v2": -24.230, "v3": 2.132, "v4": 22.957, "amplitude": 39.849, "phase_angle": 127.449, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.074, "frame": { "rmsd": 0.034, "origin": [ -17.725, -5.753, 19.535 ], "x_axis": [ -0.298, 0.633, -0.715 ], "y_axis": [ -0.404, 0.595, 0.695 ], "z_axis": [ 0.865, 0.495, 0.078 ], "quaternion": [ 0.586, 0.085, 0.674, 0.442 ] } }, { "index": 31, "index_chain": 7, "chain_name": "E", "nt_resnum": 7, "nt_name": "DG", "nt_code": "G", "nt_id": "///E/7", "linked_nts": [ "///E/6", "///E/8" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -50.203, "beta": -174.765, "gamma": 53.994, "delta": 138.136, "epsilon": 174.128, "zeta": -91.270, "epsilon_zeta": -94.602, "bb_type": "BI", "chi": -113.459, "glyco_bond": "anti", "C5prime_xyz": [ -1.536, 8.410, -1.472 ], "P_xyz": [ 0.868, 9.130, -0.610 ], "form": "B", "ssZp": 1.597, "Dp": 1.879, "splay_angle": 20.944, "splay_distance": 3.607, "splay_ratio": 0.183, "d22": null, "d64": null, "eta": -178.996, "theta": -132.202, "eta_prime": -151.365, "theta_prime": -151.195, "eta_base": -98.201, "theta_base": -123.931, "v0": -12.849, "v1": 27.700, "v2": -31.173, "v3": 24.092, "v4": -7.299, "amplitude": 31.314, "phase_angle": 174.547, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.010, "frame": { "rmsd": 0.010, "origin": [ -14.789, -3.748, 19.419 ], "x_axis": [ -0.424, 0.905, -0.031 ], "y_axis": [ -0.108, -0.016, 0.994 ], "z_axis": [ 0.899, 0.425, 0.105 ], "quaternion": [ 0.407, 0.349, 0.571, 0.622 ] } }, { "index": 32, "index_chain": 8, "chain_name": "E", "nt_resnum": 8, "nt_name": "DT", "nt_code": "T", "nt_id": "///E/8", "linked_nts": [ "///E/7", "///E/9" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -68.539, "beta": -170.107, "gamma": 52.884, "delta": 128.186, "epsilon": -168.321, "zeta": -104.161, "epsilon_zeta": -64.160, "bb_type": "BI", "chi": -110.341, "glyco_bond": "anti", "C5prime_xyz": [ -2.305, 8.394, -2.047 ], "P_xyz": [ -0.194, 9.942, -1.624 ], "form": "B", "ssZp": 1.484, "Dp": 1.879, "splay_angle": 18.073, "splay_distance": 3.133, "splay_ratio": 0.158, "d22": 4.264, "d64": 3.863, "eta": 176.028, "theta": -145.414, "eta_prime": -163.022, "theta_prime": -153.193, "eta_base": -129.970, "theta_base": -115.162, "v0": -29.785, "v1": 35.512, "v2": -28.232, "v3": 11.401, "v4": 11.391, "amplitude": 35.314, "phase_angle": 143.079, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.106, "frame": { "rmsd": 0.008, "origin": [ -11.333, -2.888, 18.851 ], "x_axis": [ -0.351, 0.814, 0.463 ], "y_axis": [ 0.095, -0.461, 0.882 ], "z_axis": [ 0.931, 0.354, 0.085 ], "quaternion": [ 0.261, 0.506, 0.449, 0.689 ] } }, { "index": 33, "index_chain": 9, "chain_name": "E", "nt_resnum": 9, "nt_name": "DT", "nt_code": "T", "nt_id": "///E/9", "linked_nts": [ "///E/8", "///E/10" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,canonical,non-pair-contact,helix,stem", "alpha": -47.488, "beta": 173.328, "gamma": 31.060, "delta": 146.207, "epsilon": -140.139, "zeta": -172.994, "epsilon_zeta": 32.855, "bb_type": "--", "chi": -94.120, "glyco_bond": "anti", "C5prime_xyz": [ -2.987, 7.860, -2.398 ], "P_xyz": [ -1.096, 9.694, -2.594 ], "form": "B", "ssZp": 1.689, "Dp": 1.796, "splay_angle": 20.964, "splay_distance": 3.495, "splay_ratio": 0.191, "d22": null, "d64": null, "eta": 172.455, "theta": -174.812, "eta_prime": -164.019, "theta_prime": -175.489, "eta_base": -124.160, "theta_base": -119.489, "v0": -31.155, "v1": 41.883, "v2": -36.016, "v3": 19.042, "v4": 7.415, "amplitude": 41.174, "phase_angle": 151.013, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.106, "frame": { "rmsd": 0.003, "origin": [ -8.566, -1.429, 19.027 ], "x_axis": [ -0.217, 0.484, 0.848 ], "y_axis": [ 0.355, -0.770, 0.530 ], "z_axis": [ 0.909, 0.416, -0.005 ], "quaternion": [ 0.046, 0.624, 0.336, 0.704 ] } }, { "index": 34, "index_chain": 10, "chain_name": "E", "nt_resnum": 10, "nt_name": "DG", "nt_code": "G", "nt_id": "///E/10", "linked_nts": [ "///E/9", "///E/11" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -36.915, "beta": 146.785, "gamma": 36.480, "delta": 140.598, "epsilon": 178.628, "zeta": -104.651, "epsilon_zeta": -76.721, "bb_type": "BI", "chi": -90.110, "glyco_bond": "anti", "C5prime_xyz": [ -2.019, 7.761, -2.506 ], "P_xyz": [ 0.546, 8.283, -2.242 ], "form": "B", "ssZp": 1.219, "Dp": 1.605, "splay_angle": 19.706, "splay_distance": 3.359, "splay_ratio": 0.171, "d22": null, "d64": null, "eta": 172.421, "theta": -131.628, "eta_prime": -159.869, "theta_prime": -158.601, "eta_base": -108.431, "theta_base": -120.465, "v0": -11.446, "v1": 27.408, "v2": -32.410, "v3": 26.345, "v4": -9.546, "amplitude": 32.424, "phase_angle": 178.298, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "4b", "suiteness": 0.148, "filter_rmsd": 0.010, "frame": { "rmsd": 0.010, "origin": [ -5.118, -1.109, 19.509 ], "x_axis": [ 0.075, -0.180, 0.981 ], "y_axis": [ 0.479, -0.856, -0.194 ], "z_axis": [ 0.875, 0.484, 0.021 ], "quaternion": [ -0.245, 0.691, 0.108, 0.671 ] } }, { "index": 35, "index_chain": 11, "chain_name": "E", "nt_resnum": 11, "nt_name": "DG", "nt_code": "G", "nt_id": "///E/11", "linked_nts": [ "///E/10", "///E/12" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -52.037, "beta": 176.905, "gamma": 39.720, "delta": 132.859, "epsilon": -171.035, "zeta": -107.589, "epsilon_zeta": -63.446, "bb_type": "BI", "chi": -97.639, "glyco_bond": "anti", "C5prime_xyz": [ -2.701, 8.046, -2.286 ], "P_xyz": [ -0.570, 9.590, -2.333 ], "form": "B", "ssZp": 1.920, "Dp": 2.065, "splay_angle": 19.365, "splay_distance": 3.406, "splay_ratio": 0.171, "d22": null, "d64": null, "eta": 169.040, "theta": -144.030, "eta_prime": -170.254, "theta_prime": -160.841, "eta_base": -128.874, "theta_base": -108.754, "v0": -27.781, "v1": 36.460, "v2": -31.108, "v3": 15.623, "v4": 7.359, "amplitude": 36.035, "phase_angle": 149.686, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.009, "frame": { "rmsd": 0.009, "origin": [ -2.173, 0.503, 19.605 ], "x_axis": [ 0.295, -0.597, 0.746 ], "y_axis": [ 0.391, -0.637, -0.665 ], "z_axis": [ 0.872, 0.487, 0.046 ], "quaternion": [ -0.419, 0.687, -0.075, 0.589 ] } }, { "index": 36, "index_chain": 12, "chain_name": "E", "nt_resnum": 12, "nt_name": "DC", "nt_code": "C", "nt_id": "///E/12", "linked_nts": [ "///E/11", null ], "nt_type": "DNA", "dbn": "(", "summary": "anti,canonical,non-pair-contact,helix-end,stem-end", "alpha": -52.325, "beta": 156.026, "gamma": 51.073, "delta": 89.903, "epsilon": null, "zeta": null, "epsilon_zeta": null, "bb_type": "--", "chi": -132.616, "glyco_bond": "anti", "C5prime_xyz": [ -2.753, 8.752, -1.368 ], "P_xyz": [ -0.542, 10.085, -1.878 ], "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": -31.840, "v1": 12.942, "v2": 9.333, "v3": -28.201, "v4": 37.974, "amplitude": 37.241, "phase_angle": 75.486, "puckering": "O4'-endo", "sugar_class": "--", "bin": "23p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.062, "frame": { "rmsd": 0.007, "origin": [ 1.000, 1.146, 20.666 ], "x_axis": [ 0.466, -0.864, 0.192 ], "y_axis": [ 0.190, -0.115, -0.975 ], "z_axis": [ 0.864, 0.491, 0.111 ], "quaternion": [ 0.605, -0.606, 0.278, -0.436 ] } }, { "index": 37, "index_chain": 1, "chain_name": "F", "nt_resnum": 1, "nt_name": "DG", "nt_code": "G", "nt_id": "///F/1", "linked_nts": [ null, "///F/2" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix-end,stem-end", "alpha": null, "beta": null, "gamma": 163.856, "delta": 149.581, "epsilon": 176.803, "zeta": -99.685, "epsilon_zeta": -83.513, "bb_type": "BI", "chi": -108.905, "glyco_bond": "anti", "C5prime_xyz": [ -1.447, 8.169, -1.443 ], "P_xyz": [ null, null, null ], "form": "B", "ssZp": 1.784, "Dp": 1.808, "splay_angle": 20.069, "splay_distance": 3.353, "splay_ratio": 0.174, "d22": null, "d64": null, "eta": null, "theta": null, "eta_prime": null, "theta_prime": null, "eta_base": null, "theta_base": null, "v0": -4.879, "v1": 24.547, "v2": -33.490, "v3": 31.362, "v4": -16.864, "amplitude": 34.043, "phase_angle": 190.336, "puckering": "C3'-exo", "sugar_class": "~C2'-endo", "bin": "inc", "cluster": "__", "suiteness": 0.000, "filter_rmsd": 0.014, "frame": { "rmsd": 0.014, "origin": [ 1.064, 1.220, 20.580 ], "x_axis": [ 0.412, -0.892, 0.188 ], "y_axis": [ -0.179, 0.123, 0.976 ], "z_axis": [ -0.894, -0.436, -0.109 ], "quaternion": [ 0.597, 0.591, -0.453, -0.299 ] } }, { "index": 38, "index_chain": 2, "chain_name": "F", "nt_resnum": 2, "nt_name": "DC", "nt_code": "C", "nt_id": "///F/2", "linked_nts": [ "///F/1", "///F/3" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -53.320, "beta": -171.564, "gamma": 42.402, "delta": 139.346, "epsilon": -165.126, "zeta": -98.274, "epsilon_zeta": -66.852, "bb_type": "BI", "chi": -102.190, "glyco_bond": "anti", "C5prime_xyz": [ -1.864, 8.171, -2.067 ], "P_xyz": [ 0.311, 9.540, -1.522 ], "form": "B", "ssZp": 1.178, "Dp": 1.602, "splay_angle": 19.913, "splay_distance": 3.452, "splay_ratio": 0.173, "d22": 4.180, "d64": 3.610, "eta": 179.733, "theta": -132.570, "eta_prime": -158.121, "theta_prime": -142.307, "eta_base": -119.466, "theta_base": -101.584, "v0": -13.844, "v1": 28.791, "v2": -32.032, "v3": 24.875, "v4": -6.966, "amplitude": 32.224, "phase_angle": 173.752, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.063, "frame": { "rmsd": 0.012, "origin": [ -1.970, 0.079, 19.724 ], "x_axis": [ 0.203, -0.689, 0.696 ], "y_axis": [ -0.378, 0.601, 0.705 ], "z_axis": [ -0.903, -0.406, -0.138 ], "quaternion": [ 0.645, 0.430, -0.620, -0.121 ] } }, { "index": 39, "index_chain": 3, "chain_name": "F", "nt_resnum": 3, "nt_name": "DC", "nt_code": "C", "nt_id": "///F/3", "linked_nts": [ "///F/2", "///F/4" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BII,canonical,non-pair-contact,helix,stem", "alpha": -55.345, "beta": 169.035, "gamma": 36.208, "delta": 147.963, "epsilon": -113.726, "zeta": 168.921, "epsilon_zeta": 77.353, "bb_type": "BII", "chi": -89.029, "glyco_bond": "anti", "C5prime_xyz": [ -3.189, 7.872, -2.347 ], "P_xyz": [ -1.198, 9.560, -2.808 ], "form": ".", "ssZp": 1.394, "Dp": 1.297, "splay_angle": 21.495, "splay_distance": 3.690, "splay_ratio": 0.202, "d22": null, "d64": null, "eta": 174.617, "theta": 175.262, "eta_prime": -156.566, "theta_prime": 173.256, "eta_base": -116.136, "theta_base": -128.063, "v0": -29.483, "v1": 42.859, "v2": -39.143, "v3": 23.539, "v4": 3.626, "amplitude": 42.689, "phase_angle": 156.480, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.062, "frame": { "rmsd": 0.006, "origin": [ -5.099, -1.367, 19.922 ], "x_axis": [ -0.006, -0.262, 0.965 ], "y_axis": [ -0.481, 0.847, 0.227 ], "z_axis": [ -0.877, -0.463, -0.131 ], "quaternion": [ 0.654, 0.264, -0.704, 0.084 ] } }, { "index": 40, "index_chain": 4, "chain_name": "F", "nt_resnum": 4, "nt_name": "DA", "nt_code": "A", "nt_id": "///F/4", "linked_nts": [ "///F/3", "///F/5" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -58.797, "beta": 145.987, "gamma": 43.372, "delta": 146.392, "epsilon": -173.344, "zeta": -84.921, "epsilon_zeta": -88.423, "bb_type": "BI", "chi": -93.427, "glyco_bond": "anti", "C5prime_xyz": [ -1.735, 7.822, -2.367 ], "P_xyz": [ 0.861, 8.143, -1.985 ], "form": ".", "ssZp": 0.913, "Dp": 1.487, "splay_angle": 18.125, "splay_distance": 3.264, "splay_ratio": 0.162, "d22": null, "d64": null, "eta": 170.762, "theta": -104.586, "eta_prime": -158.747, "theta_prime": -143.542, "eta_base": -107.656, "theta_base": -105.893, "v0": -10.225, "v1": 28.172, "v2": -34.706, "v3": 29.481, "v4": -12.153, "amplitude": 34.722, "phase_angle": 181.736, "puckering": "C3'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "4b", "suiteness": 0.685, "filter_rmsd": 0.041, "frame": { "rmsd": 0.014, "origin": [ -8.635, -1.596, 18.894 ], "x_axis": [ -0.387, 0.385, 0.838 ], "y_axis": [ -0.337, 0.787, -0.517 ], "z_axis": [ -0.858, -0.482, -0.175 ], "quaternion": [ 0.553, -0.016, -0.766, 0.326 ] } }, { "index": 41, "index_chain": 5, "chain_name": "F", "nt_resnum": 5, "nt_name": "DA", "nt_code": "A", "nt_id": "///F/5", "linked_nts": [ "///F/4", "///F/6" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -72.882, "beta": 172.304, "gamma": 47.297, "delta": 104.776, "epsilon": 167.203, "zeta": -85.323, "epsilon_zeta": -107.474, "bb_type": "BI", "chi": -103.524, "glyco_bond": "anti", "C5prime_xyz": [ -3.487, 7.922, -2.337 ], "P_xyz": [ -1.896, 9.704, -3.414 ], "form": ".", "ssZp": 2.334, "Dp": 2.456, "splay_angle": 18.744, "splay_distance": 3.322, "splay_ratio": 0.167, "d22": null, "d64": null, "eta": 158.588, "theta": -167.473, "eta_prime": -177.482, "theta_prime": -170.575, "eta_base": -135.167, "theta_base": -123.051, "v0": -41.741, "v1": 35.166, "v2": -15.671, "v3": -8.205, "v4": 31.133, "amplitude": 40.892, "phase_angle": 112.534, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "23p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.039, "frame": { "rmsd": 0.012, "origin": [ -11.597, -2.961, 19.031 ], "x_axis": [ -0.506, 0.709, 0.491 ], "y_axis": [ -0.213, 0.450, -0.868 ], "z_axis": [ -0.836, -0.543, -0.077 ], "quaternion": [ -0.465, 0.174, 0.713, -0.495 ] } }, { "index": 42, "index_chain": 6, "chain_name": "F", "nt_resnum": 6, "nt_name": "5CM", "nt_code": "c", "is_modified": true, "nt_id": "///F/6", "linked_nts": [ "///F/5", "///F/7" ], "nt_type": "DNA", "dbn": ")", "summary": "modified,anti,~C2'-endo,BII,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -53.798, "beta": 174.718, "gamma": 49.747, "delta": 146.821, "epsilon": -118.044, "zeta": 177.476, "epsilon_zeta": 64.479, "bb_type": "BII", "chi": -100.669, "glyco_bond": "anti", "C5prime_xyz": [ -3.332, 8.317, -1.755 ], "P_xyz": [ -1.403, 10.027, -2.030 ], "form": "B", "ssZp": 1.923, "Dp": 1.928, "splay_angle": 23.688, "splay_distance": 3.865, "splay_ratio": 0.206, "d22": null, "d64": null, "eta": -170.856, "theta": -178.168, "eta_prime": -147.785, "theta_prime": 179.747, "eta_base": -102.304, "theta_base": -131.488, "v0": -32.693, "v1": 43.017, "v2": -34.763, "v3": 17.730, "v4": 9.901, "amplitude": 41.169, "phase_angle": 147.606, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "32p", "cluster": "1b", "suiteness": 0.010, "filter_rmsd": 0.076, "frame": { "rmsd": 0.046, "origin": [ -14.834, -3.406, 19.632 ], "x_axis": [ -0.519, 0.854, -0.041 ], "y_axis": [ -0.032, -0.068, -0.997 ], "z_axis": [ -0.854, -0.517, 0.062 ], "quaternion": [ 0.345, -0.349, -0.589, 0.642 ] } }, { "index": 43, "index_chain": 7, "chain_name": "F", "nt_resnum": 7, "nt_name": "DG", "nt_code": "G", "nt_id": "///F/7", "linked_nts": [ "///F/6", "///F/8" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -54.917, "beta": 155.488, "gamma": 34.815, "delta": 142.785, "epsilon": -169.978, "zeta": -96.502, "epsilon_zeta": -73.476, "bb_type": "BI", "chi": -108.678, "glyco_bond": "anti", "C5prime_xyz": [ -1.753, 8.363, -1.741 ], "P_xyz": [ 0.606, 9.141, -0.794 ], "form": "B", "ssZp": 1.243, "Dp": 1.675, "splay_angle": 17.610, "splay_distance": 3.114, "splay_ratio": 0.156, "d22": null, "d64": null, "eta": 175.622, "theta": -117.846, "eta_prime": -163.250, "theta_prime": -139.712, "eta_base": -116.495, "theta_base": -97.288, "v0": -14.101, "v1": 30.219, "v2": -34.514, "v3": 26.853, "v4": -8.141, "amplitude": 34.647, "phase_angle": 174.983, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "4b", "suiteness": 0.622, "filter_rmsd": 0.007, "frame": { "rmsd": 0.007, "origin": [ -17.812, -5.858, 19.869 ], "x_axis": [ -0.361, 0.643, -0.675 ], "y_axis": [ 0.411, -0.540, -0.734 ], "z_axis": [ -0.837, -0.543, -0.069 ], "quaternion": [ 0.086, -0.559, -0.472, 0.677 ] } }, { "index": 44, "index_chain": 8, "chain_name": "F", "nt_resnum": 8, "nt_name": "DT", "nt_code": "T", "nt_id": "///F/8", "linked_nts": [ "///F/7", "///F/9" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -48.695, "beta": 171.357, "gamma": 35.117, "delta": 123.511, "epsilon": -165.561, "zeta": -116.316, "epsilon_zeta": -49.245, "bb_type": "BI", "chi": -99.796, "glyco_bond": "anti", "C5prime_xyz": [ -2.834, 7.944, -2.597 ], "P_xyz": [ -0.973, 9.822, -2.874 ], "form": "B", "ssZp": 1.498, "Dp": 2.021, "splay_angle": 20.758, "splay_distance": 3.540, "splay_ratio": 0.180, "d22": 4.344, "d64": 3.712, "eta": 168.719, "theta": -160.336, "eta_prime": -166.489, "theta_prime": -162.551, "eta_base": -118.391, "theta_base": -125.858, "v0": -33.539, "v1": 37.185, "v2": -27.256, "v3": 8.343, "v4": 15.584, "amplitude": 37.211, "phase_angle": 137.095, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.106, "frame": { "rmsd": 0.009, "origin": [ -20.668, -6.966, 19.310 ], "x_axis": [ -0.089, 0.216, -0.972 ], "y_axis": [ 0.447, -0.864, -0.233 ], "z_axis": [ -0.890, -0.455, -0.019 ], "quaternion": [ -0.083, -0.670, -0.247, 0.695 ] } }, { "index": 45, "index_chain": 9, "chain_name": "F", "nt_resnum": 9, "nt_name": "DT", "nt_code": "T", "nt_id": "///F/9", "linked_nts": [ "///F/8", "///F/10" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BII,canonical,non-pair-contact,helix,stem", "alpha": -48.282, "beta": 163.880, "gamma": 40.501, "delta": 141.932, "epsilon": -102.652, "zeta": 166.144, "epsilon_zeta": 91.204, "bb_type": "BII", "chi": -95.303, "glyco_bond": "anti", "C5prime_xyz": [ -3.128, 7.889, -2.280 ], "P_xyz": [ -0.977, 9.387, -2.618 ], "form": ".", "ssZp": 1.137, "Dp": 1.113, "splay_angle": 22.602, "splay_distance": 4.051, "splay_ratio": 0.225, "d22": null, "d64": null, "eta": -172.850, "theta": 174.255, "eta_prime": -155.423, "theta_prime": 175.483, "eta_base": -121.939, "theta_base": -120.818, "v0": -32.310, "v1": 42.427, "v2": -35.735, "v3": 18.171, "v4": 8.684, "amplitude": 41.551, "phase_angle": 149.320, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.106, "frame": { "rmsd": 0.003, "origin": [ -23.682, -8.798, 19.011 ], "x_axis": [ 0.212, -0.204, -0.956 ], "y_axis": [ 0.384, -0.882, 0.274 ], "z_axis": [ -0.899, -0.425, -0.109 ], "quaternion": [ 0.236, 0.742, 0.061, -0.625 ] } }, { "index": 46, "index_chain": 10, "chain_name": "F", "nt_resnum": 10, "nt_name": "DG", "nt_code": "G", "nt_id": "///F/10", "linked_nts": [ "///F/9", "///F/11" ], "nt_type": "DNA", "dbn": ")", "summary": "~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -72.123, "beta": 145.258, "gamma": 50.727, "delta": 141.841, "epsilon": -172.314, "zeta": -96.436, "epsilon_zeta": -75.878, "bb_type": "BI", "chi": -87.448, "glyco_bond": "--", "C5prime_xyz": [ -1.798, 7.644, -2.566 ], "P_xyz": [ 0.824, 7.572, -2.411 ], "form": "B", "ssZp": 0.968, "Dp": 1.656, "splay_angle": 18.797, "splay_distance": 3.272, "splay_ratio": 0.163, "d22": null, "d64": null, "eta": 170.717, "theta": -114.013, "eta_prime": -159.293, "theta_prime": -147.591, "eta_base": -104.250, "theta_base": -105.736, "v0": -7.079, "v1": 23.918, "v2": -30.997, "v3": 27.233, "v4": -12.839, "amplitude": 31.137, "phase_angle": 185.434, "puckering": "C3'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "4b", "suiteness": 0.629, "filter_rmsd": 0.013, "frame": { "rmsd": 0.013, "origin": [ -26.182, -11.706, 20.319 ], "x_axis": [ 0.288, -0.847, -0.447 ], "y_axis": [ 0.092, -0.440, 0.893 ], "z_axis": [ -0.953, -0.298, -0.049 ], "quaternion": [ 0.447, 0.667, -0.283, -0.525 ] } }, { "index": 47, "index_chain": 11, "chain_name": "F", "nt_resnum": 11, "nt_name": "DG", "nt_code": "G", "nt_id": "///F/11", "linked_nts": [ "///F/10", "///F/12" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -54.275, "beta": 165.879, "gamma": 42.686, "delta": 121.421, "epsilon": -172.531, "zeta": -108.119, "epsilon_zeta": -64.412, "bb_type": "BI", "chi": -98.986, "glyco_bond": "anti", "C5prime_xyz": [ -3.168, 7.947, -2.370 ], "P_xyz": [ -1.141, 9.485, -3.050 ], "form": "B", "ssZp": 2.096, "Dp": 2.207, "splay_angle": 19.557, "splay_distance": 3.473, "splay_ratio": 0.172, "d22": null, "d64": null, "eta": 164.463, "theta": -155.183, "eta_prime": -169.145, "theta_prime": -170.750, "eta_base": -124.645, "theta_base": -118.230, "v0": -34.529, "v1": 36.406, "v2": -24.478, "v3": 5.171, "v4": 18.279, "amplitude": 36.672, "phase_angle": 131.873, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.005, "frame": { "rmsd": 0.005, "origin": [ -28.917, -13.495, 20.464 ], "x_axis": [ 0.362, -0.930, 0.062 ], "y_axis": [ -0.141, 0.011, 0.990 ], "z_axis": [ -0.921, -0.367, -0.127 ], "quaternion": [ 0.558, 0.608, -0.440, -0.354 ] } }, { "index": 48, "index_chain": 12, "chain_name": "F", "nt_resnum": 12, "nt_name": "DC", "nt_code": "C", "nt_id": "///F/12", "linked_nts": [ "///F/11", null ], "nt_type": "DNA", "dbn": ")", "summary": "anti,canonical,non-pair-contact,helix-end,stem-end", "alpha": -47.304, "beta": 152.081, "gamma": 51.008, "delta": 89.473, "epsilon": null, "zeta": null, "epsilon_zeta": null, "bb_type": "--", "chi": -137.660, "glyco_bond": "anti", "C5prime_xyz": [ -2.818, 8.848, -1.075 ], "P_xyz": [ -0.629, 10.240, -1.535 ], "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": -33.475, "v1": 14.527, "v2": 8.519, "v3": -28.427, "v4": 38.941, "amplitude": 38.442, "phase_angle": 77.196, "puckering": "O4'-endo", "sugar_class": "--", "bin": "23p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.062, "frame": { "rmsd": 0.008, "origin": [ -31.347, -15.967, 20.253 ], "x_axis": [ 0.204, -0.747, 0.633 ], "y_axis": [ -0.369, 0.540, 0.756 ], "z_axis": [ -0.907, -0.388, -0.165 ], "quaternion": [ 0.628, 0.455, -0.613, -0.151 ] } } ], "num_hbonds": 223, "hbonds": [ { "index": 1, "atom1_serNum": 4, "atom2_serNum": 187, "donAcc_type": "standard", "distance": 2.708, "atom1_id": "///A/1/O", "atom2_id": "///A/23/NH1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 2, "atom1_serNum": 4, "atom2_serNum": 188, "donAcc_type": "standard", "distance": 3.029, "atom1_id": "///A/1/O", "atom2_id": "///A/23/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 3, "atom1_serNum": 9, "atom2_serNum": 243, "donAcc_type": "standard", "distance": 3.164, "atom1_id": "///A/2/O", "atom2_id": "///A/31/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 4, "atom1_serNum": 21, "atom2_serNum": 1215, "donAcc_type": "standard", "distance": 3.178, "atom1_id": "///A/3/NH2", "atom2_id": "///C/5/OP2", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 5, "atom1_serNum": 22, "atom2_serNum": 147, "donAcc_type": "standard", "distance": 3.071, "atom1_id": "///A/4/N", "atom2_id": "///A/19/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 6, "atom1_serNum": 25, "atom2_serNum": 144, "donAcc_type": "standard", "distance": 2.864, "atom1_id": "///A/4/O", "atom2_id": "///A/19/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 7, "atom1_serNum": 36, "atom2_serNum": 122, "donAcc_type": "standard", "distance": 2.709, "atom1_id": "///A/5/NE", "atom2_id": "///A/16/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 8, "atom1_serNum": 38, "atom2_serNum": 122, "donAcc_type": "standard", "distance": 2.944, "atom1_id": "///A/5/NH1", "atom2_id": "///A/16/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 9, "atom1_serNum": 40, "atom2_serNum": 127, "donAcc_type": "standard", "distance": 3.088, "atom1_id": "///A/6/N", "atom2_id": "///A/17/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 10, "atom1_serNum": 43, "atom2_serNum": 124, "donAcc_type": "standard", "distance": 2.831, "atom1_id": "///A/6/O", "atom2_id": "///A/17/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 11, "atom1_serNum": 59, "atom2_serNum": 104, "donAcc_type": "standard", "distance": 2.994, "atom1_id": "///A/8/N", "atom2_id": "///A/15/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 12, "atom1_serNum": 62, "atom2_serNum": 77, "donAcc_type": "standard", "distance": 3.212, "atom1_id": "///A/8/O", "atom2_id": "///A/11/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 13, "atom1_serNum": 88, "atom2_serNum": 101, "donAcc_type": "standard", "distance": 3.269, "atom1_id": "///A/12/O", "atom2_id": "///A/15/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 14, "atom1_serNum": 115, "atom2_serNum": 285, "donAcc_type": "standard", "distance": 3.006, "atom1_id": "///A/16/N", "atom2_id": "///A/36/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 15, "atom1_serNum": 118, "atom2_serNum": 282, "donAcc_type": "standard", "distance": 2.832, "atom1_id": "///A/16/O", "atom2_id": "///A/36/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 16, "atom1_serNum": 131, "atom2_serNum": 281, "donAcc_type": "acceptable", "distance": 3.411, "atom1_id": "///A/17/NE", "atom2_id": "///A/35/OH", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 17, "atom1_serNum": 133, "atom2_serNum": 152, "donAcc_type": "standard", "distance": 2.827, "atom1_id": "///A/17/NH1", "atom2_id": "///A/19/OE2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 18, "atom1_serNum": 134, "atom2_serNum": 152, "donAcc_type": "standard", "distance": 3.236, "atom1_id": "///A/17/NH2", "atom2_id": "///A/19/OE2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 19, "atom1_serNum": 134, "atom2_serNum": 514, "donAcc_type": "standard", "distance": 2.617, "atom1_id": "///A/17/NH2", "atom2_id": "///A/65/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 20, "atom1_serNum": 135, "atom2_serNum": 262, "donAcc_type": "standard", "distance": 2.893, "atom1_id": "///A/18/N", "atom2_id": "///A/34/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 21, "atom1_serNum": 138, "atom2_serNum": 259, "donAcc_type": "standard", "distance": 2.929, "atom1_id": "///A/18/O", "atom2_id": "///A/34/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 22, "atom1_serNum": 142, "atom2_serNum": 293, "donAcc_type": "acceptable", "distance": 2.609, "atom1_id": "///A/18/OE1", "atom2_id": "///A/36/OH", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 23, "atom1_serNum": 151, "atom2_serNum": 240, "donAcc_type": "standard", "distance": 2.726, "atom1_id": "///A/19/OE1", "atom2_id": "///A/31/NE", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 24, "atom1_serNum": 151, "atom2_serNum": 243, "donAcc_type": "standard", "distance": 2.924, "atom1_id": "///A/19/OE1", "atom2_id": "///A/31/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 25, "atom1_serNum": 153, "atom2_serNum": 247, "donAcc_type": "standard", "distance": 2.934, "atom1_id": "///A/20/N", "atom2_id": "///A/32/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 26, "atom1_serNum": 156, "atom2_serNum": 244, "donAcc_type": "standard", "distance": 3.078, "atom1_id": "///A/20/O", "atom2_id": "///A/32/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 27, "atom1_serNum": 167, "atom2_serNum": 226, "donAcc_type": "standard", "distance": 2.887, "atom1_id": "///A/22/N", "atom2_id": "///A/30/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 28, "atom1_serNum": 170, "atom2_serNum": 219, "donAcc_type": "standard", "distance": 2.806, "atom1_id": "///A/22/O", "atom2_id": "///A/29/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 29, "atom1_serNum": 174, "atom2_serNum": 251, "donAcc_type": "standard", "distance": 2.767, "atom1_id": "///A/22/NE", "atom2_id": "///A/32/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 30, "atom1_serNum": 176, "atom2_serNum": 213, "donAcc_type": "acceptable", "distance": 2.922, "atom1_id": "///A/22/NH1", "atom2_id": "///A/27/OG", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 31, "atom1_serNum": 176, "atom2_serNum": 1267, "donAcc_type": "standard", "distance": 2.732, "atom1_id": "///A/22/NH1", "atom2_id": "///C/7/N7", "atom_pair": "N:N", "residue_pair": "aa:nt" }, { "index": 32, "atom1_serNum": 177, "atom2_serNum": 250, "donAcc_type": "standard", "distance": 2.944, "atom1_id": "///A/22/NH2", "atom2_id": "///A/32/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 33, "atom1_serNum": 177, "atom2_serNum": 1270, "donAcc_type": "standard", "distance": 2.853, "atom1_id": "///A/22/NH2", "atom2_id": "///C/7/O6", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 34, "atom1_serNum": 178, "atom2_serNum": 1253, "donAcc_type": "standard", "distance": 3.434, "atom1_id": "///A/23/N", "atom2_id": "///C/6/OP2", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 35, "atom1_serNum": 181, "atom2_serNum": 760, "donAcc_type": "acceptable", "distance": 3.659, "atom1_id": "///A/23/O", "atom2_id": "///B/24/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 36, "atom1_serNum": 189, "atom2_serNum": 1252, "donAcc_type": "standard", "distance": 2.937, "atom1_id": "///A/24/N", "atom2_id": "///C/6/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 37, "atom1_serNum": 194, "atom2_serNum": 1252, "donAcc_type": "acceptable", "distance": 2.717, "atom1_id": "///A/24/OG", "atom2_id": "///C/6/OP1", "atom_pair": "O:O", "residue_pair": "aa:nt" }, { "index": 38, "atom1_serNum": 195, "atom2_serNum": 753, "donAcc_type": "standard", "distance": 2.842, "atom1_id": "///A/25/N", "atom2_id": "///B/23/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 39, "atom1_serNum": 195, "atom2_serNum": 760, "donAcc_type": "acceptable", "distance": 3.844, "atom1_id": "///A/25/N", "atom2_id": "///B/24/OG", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 40, "atom1_serNum": 198, "atom2_serNum": 214, "donAcc_type": "standard", "distance": 3.056, "atom1_id": "///A/25/O", "atom2_id": "///A/28/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 41, "atom1_serNum": 198, "atom2_serNum": 761, "donAcc_type": "standard", "distance": 3.086, "atom1_id": "///A/25/O", "atom2_id": "///B/25/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 42, "atom1_serNum": 199, "atom2_serNum": 1255, "donAcc_type": "standard", "distance": 3.093, "atom1_id": "///A/26/N", "atom2_id": "///C/7/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 43, "atom1_serNum": 208, "atom2_serNum": 1256, "donAcc_type": "standard", "distance": 3.134, "atom1_id": "///A/27/N", "atom2_id": "///C/7/OP2", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 44, "atom1_serNum": 211, "atom2_serNum": 223, "donAcc_type": "standard", "distance": 3.088, "atom1_id": "///A/27/O", "atom2_id": "///A/30/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 45, "atom1_serNum": 213, "atom2_serNum": 1256, "donAcc_type": "acceptable", "distance": 2.656, "atom1_id": "///A/27/OG", "atom2_id": "///C/7/OP2", "atom_pair": "O:O", "residue_pair": "aa:nt" }, { "index": 46, "atom1_serNum": 236, "atom2_serNum": 522, "donAcc_type": "standard", "distance": 2.816, "atom1_id": "///A/31/O", "atom2_id": "///A/65/NH1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 47, "atom1_serNum": 236, "atom2_serNum": 523, "donAcc_type": "standard", "distance": 2.912, "atom1_id": "///A/31/O", "atom2_id": "///A/65/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 48, "atom1_serNum": 270, "atom2_serNum": 337, "donAcc_type": "standard", "distance": 2.922, "atom1_id": "///A/35/N", "atom2_id": "///A/43/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 49, "atom1_serNum": 273, "atom2_serNum": 334, "donAcc_type": "standard", "distance": 2.619, "atom1_id": "///A/35/O", "atom2_id": "///A/43/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 50, "atom1_serNum": 281, "atom2_serNum": 502, "donAcc_type": "acceptable", "distance": 2.657, "atom1_id": "///A/35/OH", "atom2_id": "///A/64/O", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 51, "atom1_serNum": 294, "atom2_serNum": 320, "donAcc_type": "standard", "distance": 2.908, "atom1_id": "///A/37/N", "atom2_id": "///A/41/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 52, "atom1_serNum": 297, "atom2_serNum": 313, "donAcc_type": "standard", "distance": 2.845, "atom1_id": "///A/37/O", "atom2_id": "///A/40/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 53, "atom1_serNum": 299, "atom2_serNum": 312, "donAcc_type": "acceptable", "distance": 2.525, "atom1_id": "///A/37/OG", "atom2_id": "///A/39/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 54, "atom1_serNum": 299, "atom2_serNum": 317, "donAcc_type": "acceptable", "distance": 2.985, "atom1_id": "///A/37/OG", "atom2_id": "///A/41/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 55, "atom1_serNum": 333, "atom2_serNum": 1194, "donAcc_type": "standard", "distance": 2.670, "atom1_id": "///A/42/NZ", "atom2_id": "///C/4/OP2", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 56, "atom1_serNum": 345, "atom2_serNum": 385, "donAcc_type": "standard", "distance": 2.767, "atom1_id": "///A/44/N", "atom2_id": "///A/48/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 57, "atom1_serNum": 354, "atom2_serNum": 1515, "donAcc_type": "standard", "distance": 2.718, "atom1_id": "///A/44/NH1", "atom2_id": "///D/7/O6", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 58, "atom1_serNum": 355, "atom2_serNum": 1512, "donAcc_type": "standard", "distance": 2.920, "atom1_id": "///A/44/NH2", "atom2_id": "///D/7/N7", "atom_pair": "N:N", "residue_pair": "aa:nt" }, { "index": 59, "atom1_serNum": 359, "atom2_serNum": 387, "donAcc_type": "standard", "distance": 2.928, "atom1_id": "///A/45/O", "atom2_id": "///A/49/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 60, "atom1_serNum": 361, "atom2_serNum": 378, "donAcc_type": "acceptable", "distance": 3.303, "atom1_id": "///A/45/OG", "atom2_id": "///A/48/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 61, "atom1_serNum": 361, "atom2_serNum": 1498, "donAcc_type": "acceptable", "distance": 2.626, "atom1_id": "///A/45/OG", "atom2_id": "///D/6/OP2", "atom_pair": "O:O", "residue_pair": "aa:nt" }, { "index": 62, "atom1_serNum": 365, "atom2_serNum": 395, "donAcc_type": "standard", "distance": 2.742, "atom1_id": "///A/46/O", "atom2_id": "///A/50/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 63, "atom1_serNum": 370, "atom2_serNum": 462, "donAcc_type": "standard", "distance": 2.611, "atom1_id": "///A/46/NZ", "atom2_id": "///A/59/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 64, "atom1_serNum": 370, "atom2_serNum": 483, "donAcc_type": "standard", "distance": 2.848, "atom1_id": "///A/46/NZ", "atom2_id": "///A/62/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 65, "atom1_serNum": 374, "atom2_serNum": 400, "donAcc_type": "standard", "distance": 3.117, "atom1_id": "///A/47/O", "atom2_id": "///A/51/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 66, "atom1_serNum": 381, "atom2_serNum": 411, "donAcc_type": "standard", "distance": 3.802, "atom1_id": "///A/48/O", "atom2_id": "///A/52/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 67, "atom1_serNum": 390, "atom2_serNum": 411, "donAcc_type": "standard", "distance": 3.024, "atom1_id": "///A/49/O", "atom2_id": "///A/52/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 68, "atom1_serNum": 390, "atom2_serNum": 423, "donAcc_type": "standard", "distance": 2.988, "atom1_id": "///A/49/O", "atom2_id": "///A/53/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 69, "atom1_serNum": 398, "atom2_serNum": 429, "donAcc_type": "standard", "distance": 2.939, "atom1_id": "///A/50/O", "atom2_id": "///A/54/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 70, "atom1_serNum": 426, "atom2_serNum": 443, "donAcc_type": "standard", "distance": 2.760, "atom1_id": "///A/53/O", "atom2_id": "///A/57/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 71, "atom1_serNum": 457, "atom2_serNum": 467, "donAcc_type": "standard", "distance": 3.216, "atom1_id": "///A/58/OD1", "atom2_id": "///A/60/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 72, "atom1_serNum": 457, "atom2_serNum": 472, "donAcc_type": "acceptable", "distance": 2.490, "atom1_id": "///A/58/OD1", "atom2_id": "///A/60/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 73, "atom1_serNum": 462, "atom2_serNum": 480, "donAcc_type": "standard", "distance": 3.131, "atom1_id": "///A/59/O", "atom2_id": "///A/62/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 74, "atom1_serNum": 476, "atom2_serNum": 552, "donAcc_type": "standard", "distance": 2.753, "atom1_id": "///A/61/O", "atom2_id": "///A/70/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 75, "atom1_serNum": 491, "atom2_serNum": 538, "donAcc_type": "standard", "distance": 2.951, "atom1_id": "///A/63/N", "atom2_id": "///A/68/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 76, "atom1_serNum": 494, "atom2_serNum": 531, "donAcc_type": "standard", "distance": 2.755, "atom1_id": "///A/63/O", "atom2_id": "///A/67/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 77, "atom1_serNum": 497, "atom2_serNum": 510, "donAcc_type": "standard", "distance": 3.026, "atom1_id": "///A/63/OD1", "atom2_id": "///A/65/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 78, "atom1_serNum": 497, "atom2_serNum": 524, "donAcc_type": "standard", "distance": 2.973, "atom1_id": "///A/63/OD1", "atom2_id": "///A/66/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 79, "atom1_serNum": 520, "atom2_serNum": 1439, "donAcc_type": "standard", "distance": 3.236, "atom1_id": "///A/65/NE", "atom2_id": "///D/4/OP2", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 80, "atom1_serNum": 529, "atom2_serNum": 535, "donAcc_type": "acceptable", "distance": 3.438, "atom1_id": "///A/66/OG1", "atom2_id": "///A/68/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 81, "atom1_serNum": 547, "atom2_serNum": 560, "donAcc_type": "standard", "distance": 3.331, "atom1_id": "///A/69/O", "atom2_id": "///A/71/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 82, "atom1_serNum": 578, "atom2_serNum": 808, "donAcc_type": "standard", "distance": 2.947, "atom1_id": "///B/2/O", "atom2_id": "///B/31/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 83, "atom1_serNum": 587, "atom2_serNum": 715, "donAcc_type": "standard", "distance": 3.713, "atom1_id": "///B/3/NE", "atom2_id": "///B/18/OE2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 84, "atom1_serNum": 590, "atom2_serNum": 1705, "donAcc_type": "standard", "distance": 2.756, "atom1_id": "///B/3/NH2", "atom2_id": "///E/5/OP2", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 85, "atom1_serNum": 591, "atom2_serNum": 719, "donAcc_type": "standard", "distance": 3.136, "atom1_id": "///B/4/N", "atom2_id": "///B/19/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 86, "atom1_serNum": 594, "atom2_serNum": 716, "donAcc_type": "standard", "distance": 2.868, "atom1_id": "///B/4/O", "atom2_id": "///B/19/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 87, "atom1_serNum": 607, "atom2_serNum": 694, "donAcc_type": "standard", "distance": 2.855, "atom1_id": "///B/5/NE", "atom2_id": "///B/16/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 88, "atom1_serNum": 610, "atom2_serNum": 694, "donAcc_type": "standard", "distance": 3.141, "atom1_id": "///B/5/NH2", "atom2_id": "///B/16/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 89, "atom1_serNum": 611, "atom2_serNum": 699, "donAcc_type": "standard", "distance": 3.075, "atom1_id": "///B/6/N", "atom2_id": "///B/17/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 90, "atom1_serNum": 614, "atom2_serNum": 696, "donAcc_type": "standard", "distance": 2.705, "atom1_id": "///B/6/O", "atom2_id": "///B/17/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 91, "atom1_serNum": 630, "atom2_serNum": 676, "donAcc_type": "standard", "distance": 2.986, "atom1_id": "///B/8/N", "atom2_id": "///B/15/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 92, "atom1_serNum": 633, "atom2_serNum": 648, "donAcc_type": "standard", "distance": 3.129, "atom1_id": "///B/8/O", "atom2_id": "///B/11/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 93, "atom1_serNum": 659, "atom2_serNum": 673, "donAcc_type": "standard", "distance": 3.260, "atom1_id": "///B/12/O", "atom2_id": "///B/15/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 94, "atom1_serNum": 687, "atom2_serNum": 850, "donAcc_type": "standard", "distance": 2.928, "atom1_id": "///B/16/N", "atom2_id": "///B/36/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 95, "atom1_serNum": 690, "atom2_serNum": 847, "donAcc_type": "standard", "distance": 2.837, "atom1_id": "///B/16/O", "atom2_id": "///B/36/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 96, "atom1_serNum": 703, "atom2_serNum": 846, "donAcc_type": "acceptable", "distance": 3.591, "atom1_id": "///B/17/NE", "atom2_id": "///B/35/OH", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 97, "atom1_serNum": 705, "atom2_serNum": 724, "donAcc_type": "standard", "distance": 2.891, "atom1_id": "///B/17/NH1", "atom2_id": "///B/19/OE2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 98, "atom1_serNum": 706, "atom2_serNum": 724, "donAcc_type": "standard", "distance": 2.989, "atom1_id": "///B/17/NH2", "atom2_id": "///B/19/OE2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 99, "atom1_serNum": 706, "atom2_serNum": 1081, "donAcc_type": "standard", "distance": 2.759, "atom1_id": "///B/17/NH2", "atom2_id": "///B/65/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 100, "atom1_serNum": 707, "atom2_serNum": 827, "donAcc_type": "standard", "distance": 2.758, "atom1_id": "///B/18/N", "atom2_id": "///B/34/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 101, "atom1_serNum": 710, "atom2_serNum": 824, "donAcc_type": "standard", "distance": 2.921, "atom1_id": "///B/18/O", "atom2_id": "///B/34/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 102, "atom1_serNum": 714, "atom2_serNum": 858, "donAcc_type": "acceptable", "distance": 2.545, "atom1_id": "///B/18/OE1", "atom2_id": "///B/36/OH", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 103, "atom1_serNum": 723, "atom2_serNum": 805, "donAcc_type": "standard", "distance": 2.846, "atom1_id": "///B/19/OE1", "atom2_id": "///B/31/NE", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 104, "atom1_serNum": 723, "atom2_serNum": 808, "donAcc_type": "standard", "distance": 2.796, "atom1_id": "///B/19/OE1", "atom2_id": "///B/31/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 105, "atom1_serNum": 725, "atom2_serNum": 812, "donAcc_type": "standard", "distance": 2.838, "atom1_id": "///B/20/N", "atom2_id": "///B/32/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 106, "atom1_serNum": 728, "atom2_serNum": 809, "donAcc_type": "standard", "distance": 3.017, "atom1_id": "///B/20/O", "atom2_id": "///B/32/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 107, "atom1_serNum": 739, "atom2_serNum": 791, "donAcc_type": "standard", "distance": 2.745, "atom1_id": "///B/22/N", "atom2_id": "///B/30/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 108, "atom1_serNum": 742, "atom2_serNum": 784, "donAcc_type": "standard", "distance": 2.885, "atom1_id": "///B/22/O", "atom2_id": "///B/29/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 109, "atom1_serNum": 746, "atom2_serNum": 816, "donAcc_type": "standard", "distance": 2.824, "atom1_id": "///B/22/NE", "atom2_id": "///B/32/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 110, "atom1_serNum": 748, "atom2_serNum": 778, "donAcc_type": "acceptable", "distance": 2.927, "atom1_id": "///B/22/NH1", "atom2_id": "///B/27/OG", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 111, "atom1_serNum": 748, "atom2_serNum": 1757, "donAcc_type": "standard", "distance": 2.743, "atom1_id": "///B/22/NH1", "atom2_id": "///E/7/N7", "atom_pair": "N:N", "residue_pair": "aa:nt" }, { "index": 112, "atom1_serNum": 749, "atom2_serNum": 815, "donAcc_type": "standard", "distance": 3.047, "atom1_id": "///B/22/NH2", "atom2_id": "///B/32/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 113, "atom1_serNum": 749, "atom2_serNum": 1760, "donAcc_type": "standard", "distance": 2.840, "atom1_id": "///B/22/NH2", "atom2_id": "///E/7/O6", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 114, "atom1_serNum": 750, "atom2_serNum": 1743, "donAcc_type": "standard", "distance": 3.286, "atom1_id": "///B/23/N", "atom2_id": "///E/6/OP2", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 115, "atom1_serNum": 755, "atom2_serNum": 1742, "donAcc_type": "standard", "distance": 2.879, "atom1_id": "///B/24/N", "atom2_id": "///E/6/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 116, "atom1_serNum": 764, "atom2_serNum": 779, "donAcc_type": "standard", "distance": 2.977, "atom1_id": "///B/25/O", "atom2_id": "///B/28/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 117, "atom1_serNum": 765, "atom2_serNum": 1745, "donAcc_type": "standard", "distance": 3.166, "atom1_id": "///B/26/N", "atom2_id": "///E/7/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 118, "atom1_serNum": 773, "atom2_serNum": 1746, "donAcc_type": "standard", "distance": 3.131, "atom1_id": "///B/27/N", "atom2_id": "///E/7/OP2", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 119, "atom1_serNum": 776, "atom2_serNum": 788, "donAcc_type": "standard", "distance": 3.101, "atom1_id": "///B/27/O", "atom2_id": "///B/30/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 120, "atom1_serNum": 778, "atom2_serNum": 1746, "donAcc_type": "acceptable", "distance": 2.683, "atom1_id": "///B/27/OG", "atom2_id": "///E/7/OP2", "atom_pair": "O:O", "residue_pair": "aa:nt" }, { "index": 121, "atom1_serNum": 801, "atom2_serNum": 1087, "donAcc_type": "standard", "distance": 3.143, "atom1_id": "///B/31/O", "atom2_id": "///B/65/NH1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 122, "atom1_serNum": 801, "atom2_serNum": 1088, "donAcc_type": "standard", "distance": 2.840, "atom1_id": "///B/31/O", "atom2_id": "///B/65/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 123, "atom1_serNum": 835, "atom2_serNum": 903, "donAcc_type": "standard", "distance": 2.967, "atom1_id": "///B/35/N", "atom2_id": "///B/43/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 124, "atom1_serNum": 838, "atom2_serNum": 900, "donAcc_type": "standard", "distance": 2.707, "atom1_id": "///B/35/O", "atom2_id": "///B/43/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 125, "atom1_serNum": 846, "atom2_serNum": 1070, "donAcc_type": "acceptable", "distance": 2.668, "atom1_id": "///B/35/OH", "atom2_id": "///B/64/O", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 126, "atom1_serNum": 859, "atom2_serNum": 885, "donAcc_type": "standard", "distance": 2.960, "atom1_id": "///B/37/N", "atom2_id": "///B/41/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 127, "atom1_serNum": 862, "atom2_serNum": 878, "donAcc_type": "standard", "distance": 2.938, "atom1_id": "///B/37/O", "atom2_id": "///B/40/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 128, "atom1_serNum": 864, "atom2_serNum": 872, "donAcc_type": "acceptable", "distance": 3.154, "atom1_id": "///B/37/OG", "atom2_id": "///B/39/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 129, "atom1_serNum": 864, "atom2_serNum": 877, "donAcc_type": "acceptable", "distance": 2.506, "atom1_id": "///B/37/OG", "atom2_id": "///B/39/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 130, "atom1_serNum": 864, "atom2_serNum": 882, "donAcc_type": "acceptable", "distance": 3.124, "atom1_id": "///B/37/OG", "atom2_id": "///B/41/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 131, "atom1_serNum": 899, "atom2_serNum": 1684, "donAcc_type": "standard", "distance": 2.650, "atom1_id": "///B/42/NZ", "atom2_id": "///E/4/OP2", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 132, "atom1_serNum": 911, "atom2_serNum": 951, "donAcc_type": "standard", "distance": 2.703, "atom1_id": "///B/44/N", "atom2_id": "///B/48/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 133, "atom1_serNum": 920, "atom2_serNum": 2005, "donAcc_type": "standard", "distance": 2.728, "atom1_id": "///B/44/NH1", "atom2_id": "///F/7/O6", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 134, "atom1_serNum": 921, "atom2_serNum": 2002, "donAcc_type": "standard", "distance": 3.052, "atom1_id": "///B/44/NH2", "atom2_id": "///F/7/N7", "atom_pair": "N:N", "residue_pair": "aa:nt" }, { "index": 135, "atom1_serNum": 925, "atom2_serNum": 953, "donAcc_type": "standard", "distance": 3.005, "atom1_id": "///B/45/O", "atom2_id": "///B/49/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 136, "atom1_serNum": 927, "atom2_serNum": 944, "donAcc_type": "acceptable", "distance": 3.369, "atom1_id": "///B/45/OG", "atom2_id": "///B/48/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 137, "atom1_serNum": 927, "atom2_serNum": 1988, "donAcc_type": "acceptable", "distance": 2.618, "atom1_id": "///B/45/OG", "atom2_id": "///F/6/OP2", "atom_pair": "O:O", "residue_pair": "aa:nt" }, { "index": 138, "atom1_serNum": 928, "atom2_serNum": 1950, "donAcc_type": "standard", "distance": 3.931, "atom1_id": "///B/46/N", "atom2_id": "///F/5/OP2", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 139, "atom1_serNum": 931, "atom2_serNum": 961, "donAcc_type": "standard", "distance": 2.752, "atom1_id": "///B/46/O", "atom2_id": "///B/50/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 140, "atom1_serNum": 936, "atom2_serNum": 1030, "donAcc_type": "standard", "distance": 2.716, "atom1_id": "///B/46/NZ", "atom2_id": "///B/59/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 141, "atom1_serNum": 936, "atom2_serNum": 1051, "donAcc_type": "standard", "distance": 2.840, "atom1_id": "///B/46/NZ", "atom2_id": "///B/62/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 142, "atom1_serNum": 940, "atom2_serNum": 966, "donAcc_type": "standard", "distance": 3.254, "atom1_id": "///B/47/O", "atom2_id": "///B/51/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 143, "atom1_serNum": 947, "atom2_serNum": 977, "donAcc_type": "standard", "distance": 3.808, "atom1_id": "///B/48/O", "atom2_id": "///B/52/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 144, "atom1_serNum": 956, "atom2_serNum": 977, "donAcc_type": "standard", "distance": 2.998, "atom1_id": "///B/49/O", "atom2_id": "///B/52/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 145, "atom1_serNum": 956, "atom2_serNum": 989, "donAcc_type": "standard", "distance": 3.011, "atom1_id": "///B/49/O", "atom2_id": "///B/53/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 146, "atom1_serNum": 964, "atom2_serNum": 997, "donAcc_type": "standard", "distance": 2.854, "atom1_id": "///B/50/O", "atom2_id": "///B/54/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 147, "atom1_serNum": 992, "atom2_serNum": 1011, "donAcc_type": "standard", "distance": 2.580, "atom1_id": "///B/53/O", "atom2_id": "///B/57/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 148, "atom1_serNum": 1025, "atom2_serNum": 1027, "donAcc_type": "standard", "distance": 3.195, "atom1_id": "///B/58/OD1", "atom2_id": "///B/59/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 149, "atom1_serNum": 1025, "atom2_serNum": 1035, "donAcc_type": "standard", "distance": 3.100, "atom1_id": "///B/58/OD1", "atom2_id": "///B/60/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 150, "atom1_serNum": 1025, "atom2_serNum": 1040, "donAcc_type": "acceptable", "distance": 2.355, "atom1_id": "///B/58/OD1", "atom2_id": "///B/60/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 151, "atom1_serNum": 1030, "atom2_serNum": 1048, "donAcc_type": "standard", "distance": 3.234, "atom1_id": "///B/59/O", "atom2_id": "///B/62/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 152, "atom1_serNum": 1044, "atom2_serNum": 1117, "donAcc_type": "standard", "distance": 2.856, "atom1_id": "///B/61/O", "atom2_id": "///B/70/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 153, "atom1_serNum": 1059, "atom2_serNum": 1103, "donAcc_type": "standard", "distance": 2.918, "atom1_id": "///B/63/N", "atom2_id": "///B/68/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 154, "atom1_serNum": 1062, "atom2_serNum": 1096, "donAcc_type": "standard", "distance": 2.696, "atom1_id": "///B/63/O", "atom2_id": "///B/67/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 155, "atom1_serNum": 1062, "atom2_serNum": 1100, "donAcc_type": "standard", "distance": 3.599, "atom1_id": "///B/63/O", "atom2_id": "///B/68/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 156, "atom1_serNum": 1065, "atom2_serNum": 1078, "donAcc_type": "standard", "distance": 3.096, "atom1_id": "///B/63/OD1", "atom2_id": "///B/65/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 157, "atom1_serNum": 1065, "atom2_serNum": 1089, "donAcc_type": "standard", "distance": 2.806, "atom1_id": "///B/63/OD1", "atom2_id": "///B/66/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 158, "atom1_serNum": 1085, "atom2_serNum": 1929, "donAcc_type": "standard", "distance": 3.140, "atom1_id": "///B/65/NE", "atom2_id": "///F/4/OP2", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 159, "atom1_serNum": 1094, "atom2_serNum": 1100, "donAcc_type": "acceptable", "distance": 3.635, "atom1_id": "///B/66/OG1", "atom2_id": "///B/68/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 160, "atom1_serNum": 1148, "atom2_serNum": 1621, "donAcc_type": "standard", "distance": 2.954, "atom1_id": "///C/1/O6", "atom2_id": "///D/12/N4", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 161, "atom1_serNum": 1149, "atom2_serNum": 1619, "donAcc_type": "standard", "distance": 2.919, "atom1_id": "///C/1/N1", "atom2_id": "///D/12/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 162, "atom1_serNum": 1151, "atom2_serNum": 1618, "donAcc_type": "standard", "distance": 2.754, "atom1_id": "///C/1/N2", "atom2_id": "///D/12/O2", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 163, "atom1_serNum": 1167, "atom2_serNum": 1602, "donAcc_type": "standard", "distance": 2.799, "atom1_id": "///C/2/O2", "atom2_id": "///D/11/N2", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 164, "atom1_serNum": 1168, "atom2_serNum": 1600, "donAcc_type": "standard", "distance": 2.890, "atom1_id": "///C/2/N3", "atom2_id": "///D/11/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 165, "atom1_serNum": 1170, "atom2_serNum": 1599, "donAcc_type": "standard", "distance": 2.914, "atom1_id": "///C/2/N4", "atom2_id": "///D/11/O6", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 166, "atom1_serNum": 1186, "atom2_serNum": 1580, "donAcc_type": "standard", "distance": 2.853, "atom1_id": "///C/3/O2", "atom2_id": "///D/10/N2", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 167, "atom1_serNum": 1187, "atom2_serNum": 1578, "donAcc_type": "standard", "distance": 2.930, "atom1_id": "///C/3/N3", "atom2_id": "///D/10/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 168, "atom1_serNum": 1189, "atom2_serNum": 1577, "donAcc_type": "standard", "distance": 2.915, "atom1_id": "///C/3/N4", "atom2_id": "///D/10/O6", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 169, "atom1_serNum": 1208, "atom2_serNum": 1557, "donAcc_type": "standard", "distance": 3.148, "atom1_id": "///C/4/N6", "atom2_id": "///D/9/O4", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 170, "atom1_serNum": 1209, "atom2_serNum": 1555, "donAcc_type": "standard", "distance": 2.941, "atom1_id": "///C/4/N1", "atom2_id": "///D/9/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 171, "atom1_serNum": 1229, "atom2_serNum": 1537, "donAcc_type": "standard", "distance": 2.971, "atom1_id": "///C/5/N6", "atom2_id": "///D/8/O4", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 172, "atom1_serNum": 1230, "atom2_serNum": 1535, "donAcc_type": "standard", "distance": 2.787, "atom1_id": "///C/5/N1", "atom2_id": "///D/8/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 173, "atom1_serNum": 1236, "atom2_serNum": 1516, "donAcc_type": "standard", "distance": 2.874, "atom1_id": "///C/6/N3", "atom2_id": "///D/7/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 174, "atom1_serNum": 1241, "atom2_serNum": 1518, "donAcc_type": "standard", "distance": 2.917, "atom1_id": "///C/6/O2", "atom2_id": "///D/7/N2", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 175, "atom1_serNum": 1242, "atom2_serNum": 1515, "donAcc_type": "standard", "distance": 2.621, "atom1_id": "///C/6/N4", "atom2_id": "///D/7/O6", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 176, "atom1_serNum": 1270, "atom2_serNum": 1487, "donAcc_type": "standard", "distance": 2.820, "atom1_id": "///C/7/O6", "atom2_id": "///D/6/N4", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 177, "atom1_serNum": 1271, "atom2_serNum": 1481, "donAcc_type": "standard", "distance": 2.791, "atom1_id": "///C/7/N1", "atom2_id": "///D/6/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 178, "atom1_serNum": 1273, "atom2_serNum": 1486, "donAcc_type": "standard", "distance": 2.697, "atom1_id": "///C/7/N2", "atom2_id": "///D/6/O2", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 179, "atom1_serNum": 1290, "atom2_serNum": 1475, "donAcc_type": "standard", "distance": 2.850, "atom1_id": "///C/8/N3", "atom2_id": "///D/5/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 180, "atom1_serNum": 1292, "atom2_serNum": 1474, "donAcc_type": "standard", "distance": 2.841, "atom1_id": "///C/8/O4", "atom2_id": "///D/5/N6", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 181, "atom1_serNum": 1310, "atom2_serNum": 1454, "donAcc_type": "standard", "distance": 2.922, "atom1_id": "///C/9/N3", "atom2_id": "///D/4/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 182, "atom1_serNum": 1312, "atom2_serNum": 1453, "donAcc_type": "standard", "distance": 2.984, "atom1_id": "///C/9/O4", "atom2_id": "///D/4/N6", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 183, "atom1_serNum": 1332, "atom2_serNum": 1434, "donAcc_type": "standard", "distance": 2.970, "atom1_id": "///C/10/O6", "atom2_id": "///D/3/N4", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 184, "atom1_serNum": 1333, "atom2_serNum": 1432, "donAcc_type": "standard", "distance": 2.986, "atom1_id": "///C/10/N1", "atom2_id": "///D/3/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 185, "atom1_serNum": 1335, "atom2_serNum": 1431, "donAcc_type": "standard", "distance": 2.861, "atom1_id": "///C/10/N2", "atom2_id": "///D/3/O2", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 186, "atom1_serNum": 1354, "atom2_serNum": 1415, "donAcc_type": "standard", "distance": 2.856, "atom1_id": "///C/11/O6", "atom2_id": "///D/2/N4", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 187, "atom1_serNum": 1355, "atom2_serNum": 1413, "donAcc_type": "standard", "distance": 2.885, "atom1_id": "///C/11/N1", "atom2_id": "///D/2/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 188, "atom1_serNum": 1357, "atom2_serNum": 1412, "donAcc_type": "standard", "distance": 2.842, "atom1_id": "///C/11/N2", "atom2_id": "///D/2/O2", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 189, "atom1_serNum": 1373, "atom2_serNum": 1396, "donAcc_type": "standard", "distance": 2.882, "atom1_id": "///C/12/O2", "atom2_id": "///D/1/N2", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 190, "atom1_serNum": 1374, "atom2_serNum": 1394, "donAcc_type": "standard", "distance": 2.945, "atom1_id": "///C/12/N3", "atom2_id": "///D/1/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 191, "atom1_serNum": 1376, "atom2_serNum": 1393, "donAcc_type": "standard", "distance": 2.894, "atom1_id": "///C/12/N4", "atom2_id": "///D/1/O6", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 192, "atom1_serNum": 1638, "atom2_serNum": 2111, "donAcc_type": "standard", "distance": 2.846, "atom1_id": "///E/1/O6", "atom2_id": "///F/12/N4", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 193, "atom1_serNum": 1639, "atom2_serNum": 2109, "donAcc_type": "standard", "distance": 2.849, "atom1_id": "///E/1/N1", "atom2_id": "///F/12/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 194, "atom1_serNum": 1641, "atom2_serNum": 2108, "donAcc_type": "standard", "distance": 2.751, "atom1_id": "///E/1/N2", "atom2_id": "///F/12/O2", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 195, "atom1_serNum": 1657, "atom2_serNum": 2092, "donAcc_type": "standard", "distance": 2.892, "atom1_id": "///E/2/O2", "atom2_id": "///F/11/N2", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 196, "atom1_serNum": 1658, "atom2_serNum": 2090, "donAcc_type": "standard", "distance": 2.949, "atom1_id": "///E/2/N3", "atom2_id": "///F/11/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 197, "atom1_serNum": 1660, "atom2_serNum": 2089, "donAcc_type": "standard", "distance": 2.944, "atom1_id": "///E/2/N4", "atom2_id": "///F/11/O6", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 198, "atom1_serNum": 1676, "atom2_serNum": 2070, "donAcc_type": "standard", "distance": 2.867, "atom1_id": "///E/3/O2", "atom2_id": "///F/10/N2", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 199, "atom1_serNum": 1677, "atom2_serNum": 2068, "donAcc_type": "standard", "distance": 2.953, "atom1_id": "///E/3/N3", "atom2_id": "///F/10/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 200, "atom1_serNum": 1679, "atom2_serNum": 2067, "donAcc_type": "standard", "distance": 2.943, "atom1_id": "///E/3/N4", "atom2_id": "///F/10/O6", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 201, "atom1_serNum": 1698, "atom2_serNum": 2047, "donAcc_type": "standard", "distance": 2.950, "atom1_id": "///E/4/N6", "atom2_id": "///F/9/O4", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 202, "atom1_serNum": 1699, "atom2_serNum": 2045, "donAcc_type": "standard", "distance": 2.875, "atom1_id": "///E/4/N1", "atom2_id": "///F/9/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 203, "atom1_serNum": 1719, "atom2_serNum": 2027, "donAcc_type": "standard", "distance": 3.065, "atom1_id": "///E/5/N6", "atom2_id": "///F/8/O4", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 204, "atom1_serNum": 1720, "atom2_serNum": 2025, "donAcc_type": "standard", "distance": 2.837, "atom1_id": "///E/5/N1", "atom2_id": "///F/8/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 205, "atom1_serNum": 1726, "atom2_serNum": 2006, "donAcc_type": "standard", "distance": 2.873, "atom1_id": "///E/6/N3", "atom2_id": "///F/7/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 206, "atom1_serNum": 1731, "atom2_serNum": 2008, "donAcc_type": "standard", "distance": 2.846, "atom1_id": "///E/6/O2", "atom2_id": "///F/7/N2", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 207, "atom1_serNum": 1732, "atom2_serNum": 2005, "donAcc_type": "standard", "distance": 2.663, "atom1_id": "///E/6/N4", "atom2_id": "///F/7/O6", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 208, "atom1_serNum": 1760, "atom2_serNum": 1977, "donAcc_type": "standard", "distance": 2.828, "atom1_id": "///E/7/O6", "atom2_id": "///F/6/N4", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 209, "atom1_serNum": 1761, "atom2_serNum": 1971, "donAcc_type": "standard", "distance": 2.769, "atom1_id": "///E/7/N1", "atom2_id": "///F/6/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 210, "atom1_serNum": 1763, "atom2_serNum": 1976, "donAcc_type": "standard", "distance": 2.590, "atom1_id": "///E/7/N2", "atom2_id": "///F/6/O2", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 211, "atom1_serNum": 1780, "atom2_serNum": 1965, "donAcc_type": "standard", "distance": 2.813, "atom1_id": "///E/8/N3", "atom2_id": "///F/5/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 212, "atom1_serNum": 1782, "atom2_serNum": 1964, "donAcc_type": "standard", "distance": 2.850, "atom1_id": "///E/8/O4", "atom2_id": "///F/5/N6", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 213, "atom1_serNum": 1800, "atom2_serNum": 1944, "donAcc_type": "standard", "distance": 2.962, "atom1_id": "///E/9/N3", "atom2_id": "///F/4/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 214, "atom1_serNum": 1802, "atom2_serNum": 1943, "donAcc_type": "standard", "distance": 3.068, "atom1_id": "///E/9/O4", "atom2_id": "///F/4/N6", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 215, "atom1_serNum": 1822, "atom2_serNum": 1924, "donAcc_type": "standard", "distance": 2.897, "atom1_id": "///E/10/O6", "atom2_id": "///F/3/N4", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 216, "atom1_serNum": 1823, "atom2_serNum": 1922, "donAcc_type": "standard", "distance": 2.967, "atom1_id": "///E/10/N1", "atom2_id": "///F/3/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 217, "atom1_serNum": 1825, "atom2_serNum": 1921, "donAcc_type": "standard", "distance": 2.906, "atom1_id": "///E/10/N2", "atom2_id": "///F/3/O2", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 218, "atom1_serNum": 1844, "atom2_serNum": 1905, "donAcc_type": "standard", "distance": 2.744, "atom1_id": "///E/11/O6", "atom2_id": "///F/2/N4", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 219, "atom1_serNum": 1845, "atom2_serNum": 1903, "donAcc_type": "standard", "distance": 2.859, "atom1_id": "///E/11/N1", "atom2_id": "///F/2/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 220, "atom1_serNum": 1847, "atom2_serNum": 1902, "donAcc_type": "standard", "distance": 2.876, "atom1_id": "///E/11/N2", "atom2_id": "///F/2/O2", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 221, "atom1_serNum": 1863, "atom2_serNum": 1886, "donAcc_type": "standard", "distance": 2.785, "atom1_id": "///E/12/O2", "atom2_id": "///F/1/N2", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 222, "atom1_serNum": 1864, "atom2_serNum": 1884, "donAcc_type": "standard", "distance": 2.914, "atom1_id": "///E/12/N3", "atom2_id": "///F/1/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 223, "atom1_serNum": 1866, "atom2_serNum": 1883, "donAcc_type": "standard", "distance": 2.913, "atom1_id": "///E/12/N4", "atom2_id": "///F/1/O6", "atom_pair": "N:O", "residue_pair": "nt:nt" } ], "refCoords": { "purine": [ " 12 ATOMS, 12 BONDS", " 1 N -2.2500 5.0000 0.4000", " 2 N -2.2500 -0.5000 0.4000", " 3 N -2.2500 -0.5000 -0.4000", " 4 N -2.2500 5.0000 -0.4000", " 5 C 1.2500 5.0000 0.4000", " 6 C 1.2500 -0.5000 0.4000", " 7 C 1.2500 -0.5000 -0.4000", " 8 C 1.2500 5.0000 -0.4000", " 9 C -2.2500 5.0000 0.4000", " 10 C -2.2500 -0.5000 0.4000", " 11 C -2.2500 -0.5000 -0.4000", " 12 C -2.2500 5.0000 -0.4000", " 1 1 2", " 2 2 3", " 3 3 4", " 4 4 1", " 5 5 6", " 6 6 7", " 7 7 8", " 8 5 8", " 9 9 5", " 10 10 6", " 11 11 7", " 12 12 8" ], "pyrimidine": [ " 12 ATOMS, 12 BONDS", " 1 N -2.2500 5.0000 0.4000", " 2 N -2.2500 1.0000 0.4000", " 3 N -2.2500 1.0000 -0.4000", " 4 N -2.2500 5.0000 -0.4000", " 5 C 1.2500 5.0000 0.4000", " 6 C 1.2500 1.0000 0.4000", " 7 C 1.2500 1.0000 -0.4000", " 8 C 1.2500 5.0000 -0.4000", " 9 C -2.2500 5.0000 0.4000", " 10 C -2.2500 1.0000 0.4000", " 11 C -2.2500 1.0000 -0.4000", " 12 C -2.2500 5.0000 -0.4000", " 1 1 2", " 2 2 3", " 3 3 4", " 4 4 1", " 5 5 6", " 6 6 7", " 7 7 8", " 8 5 8", " 9 9 5", " 10 10 6", " 11 11 7", " 12 12 8" ], "wc_pair": [ " 12 ATOMS, 12 BONDS", " 1 N -2.2500 5.0000 0.4000", " 2 N -2.2500 -5.0000 0.4000", " 3 N -2.2500 -5.0000 -0.4000", " 4 N -2.2500 5.0000 -0.4000", " 5 C 2.2500 5.0000 0.4000", " 6 C 2.2500 -5.0000 0.4000", " 7 C 2.2500 -5.0000 -0.4000", " 8 C 2.2500 5.0000 -0.4000", " 9 C -2.2500 5.0000 0.4000", " 10 C -2.2500 -5.0000 0.4000", " 11 C -2.2500 -5.0000 -0.4000", " 12 C -2.2500 5.0000 -0.4000", " 1 1 2", " 2 2 3", " 3 3 4", " 4 4 1", " 5 5 6", " 6 6 7", " 7 7 8", " 8 5 8", " 9 9 5", " 10 10 6", " 11 11 7", " 12 12 8" ] }, "metadata": { "license": "http://innovation.columbia.edu/technologies/CU20391", "url": "http://x3dna.org/", "url_alt": "http://home.x3dna.org/", "forum": "http://forum.x3dna.org/", "citation": "Lu et al. (2015). 'DSSR: an integrated software tool for dissecting the spatial structure of RNA.' Nucleic Acids Res., 43(21):e142 [doi:10.1093/nar/gkv716].", "str_id": "6cc8", "num_aaChains": 2, "aaChains": "A=71,B=71", "num_naChains": 4, "naChains": "C=12,D=12,E=12,F=12", "num_atoms": 2178, "num_waters": 64, "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": 11, "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-rotmat.txt", "desc": "position vector and rotation matrix" }, { "index": 9, "name": "dssr-viewV.pdb", "desc": "vertical view of the principal moment of inertia" }, { "index": 10, "name": "dssr-viewH.pdb", "desc": "horizontal view of the principal moment of inertia" }, { "index": 11, "name": "dssr-viewT.pdb", "desc": "top view of the principal moment of inertia" } ], "time_used": "999" } }