{ "num_pairs": 16, "pairs": [ { "index": 1, "nt1": "///T/1", "nt2": "///D/5", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -125.034, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 50.093, "chi2": -93.452, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 54.033, "C1C1_dist": 10.708, "N1N9_dist": 8.905, "C6C8_dist": 9.755, "CNNC_torsion": -9.853, "hbonds_num": 3, "hbonds_desc": "O2(carbonyl)-N2(amino)[2.82],N3-N1(imino)[2.81],N4(amino)-O6(carbonyl)[2.73]", "interBase_angle": 17.617, "planarity": 0.231, "simple_Shear": -0.307, "simple_Stretch": -0.174, "simple_Buckle": -16.377, "simple_Propeller": -6.492, "bp_simpleParams": [ -0.307, -0.174, 0.413, -16.377, -6.492, -3.633 ], "bp_params": [ -0.301, -0.184, 0.413, -16.180, -6.969, -3.604 ], "frame": { "rmsd": null, "origin": [ 29.124, 2.367, -9.326 ], "x_axis": [ -0.126, -0.987, 0.101 ], "y_axis": [ 0.865, -0.059, 0.498 ], "z_axis": [ -0.485, 0.150, 0.861 ], "quaternion": [ 0.647, 0.134, -0.226, -0.715 ] } }, { "index": 2, "nt1": "///T/2", "nt2": "///D/4", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -86.824, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 54.790, "chi2": -92.188, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 56.105, "C1C1_dist": 10.596, "N1N9_dist": 8.913, "C6C8_dist": 9.922, "CNNC_torsion": -10.959, "hbonds_num": 3, "hbonds_desc": "O2(carbonyl)-N2(amino)[2.58],N3-N1(imino)[2.86],N4(amino)-O6(carbonyl)[3.02]", "interBase_angle": 8.229, "planarity": 0.118, "simple_Shear": 0.004, "simple_Stretch": -0.114, "simple_Buckle": -1.487, "simple_Propeller": -8.094, "bp_simpleParams": [ 0.004, -0.114, 0.314, -1.487, -8.094, 3.102 ], "bp_params": [ 0.004, -0.114, 0.314, -1.451, -8.100, 3.110 ], "frame": { "rmsd": null, "origin": [ 28.096, 2.712, -6.472 ], "x_axis": [ 0.378, -0.893, 0.246 ], "y_axis": [ 0.788, 0.449, 0.421 ], "z_axis": [ -0.486, 0.035, 0.873 ], "quaternion": [ 0.822, 0.117, -0.223, -0.511 ] } }, { "index": 3, "nt1": "///T/3", "nt2": "///D/3", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -95.751, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 51.202, "chi2": -91.359, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 58.711, "C1C1_dist": 10.670, "N1N9_dist": 8.974, "C6C8_dist": 9.964, "CNNC_torsion": -12.419, "hbonds_num": 3, "hbonds_desc": "O6(carbonyl)-N4(amino)[3.18],N1(imino)-N3[3.04],N2(amino)-O2(carbonyl)[2.83]", "interBase_angle": 14.456, "planarity": 0.172, "simple_Shear": -0.848, "simple_Stretch": -0.033, "simple_Buckle": -6.652, "simple_Propeller": -12.834, "bp_simpleParams": [ -0.848, -0.033, -0.029, -6.652, -12.834, 3.356 ], "bp_params": [ -0.843, -0.098, -0.029, -5.637, -13.311, 3.375 ], "frame": { "rmsd": null, "origin": [ 27.677, 4.741, -2.792 ], "x_axis": [ 0.796, -0.357, 0.489 ], "y_axis": [ 0.338, 0.932, 0.130 ], "z_axis": [ -0.502, 0.062, 0.862 ], "quaternion": [ 0.947, 0.018, -0.262, -0.184 ] } }, { "index": 4, "nt1": "///T/4", "nt2": "///D/2", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -90.621, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 50.966, "chi2": -110.577, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 51.542, "C1C1_dist": 10.834, "N1N9_dist": 8.985, "C6C8_dist": 9.832, "CNNC_torsion": -8.384, "hbonds_num": 2, "hbonds_desc": "N6(amino)-O4(carbonyl)[2.87],N1-N3(imino)[2.91]", "interBase_angle": 9.882, "planarity": 0.127, "simple_Shear": -0.060, "simple_Stretch": -0.101, "simple_Buckle": 7.384, "simple_Propeller": -6.567, "bp_simpleParams": [ -0.060, -0.101, 0.047, 7.384, -6.567, -4.624 ], "bp_params": [ -0.060, -0.101, 0.047, 7.414, -6.532, -4.622 ], "frame": { "rmsd": null, "origin": [ 25.932, 5.081, -0.374 ], "x_axis": [ 0.866, 0.217, 0.450 ], "y_axis": [ -0.147, 0.972, -0.185 ], "z_axis": [ -0.477, 0.095, 0.874 ], "quaternion": [ 0.963, -0.073, -0.241, 0.094 ] } }, { "index": 5, "nt1": "///T/5", "nt2": "///D/1", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -107.205, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 54.163, "chi2": -108.822, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 53.996, "C1C1_dist": 10.748, "N1N9_dist": 9.028, "C6C8_dist": 9.947, "CNNC_torsion": 4.106, "hbonds_num": 3, "hbonds_desc": "O2(carbonyl)-N2(amino)[2.83],N3-N1(imino)[2.99],N4(amino)-O6(carbonyl)[3.02]", "interBase_angle": 15.179, "planarity": 0.186, "simple_Shear": 0.149, "simple_Stretch": -0.001, "simple_Buckle": 15.177, "simple_Propeller": 0.283, "bp_simpleParams": [ 0.149, -0.001, -0.412, 15.177, 0.283, 0.381 ], "bp_params": [ 0.149, -0.003, -0.412, 15.179, 0.124, 0.378 ], "frame": { "rmsd": null, "origin": [ 25.542, 5.346, 3.030 ], "x_axis": [ 0.679, 0.667, 0.306 ], "y_axis": [ -0.584, 0.744, -0.325 ], "z_axis": [ -0.445, 0.042, 0.895 ], "quaternion": [ 0.911, -0.101, -0.206, 0.344 ] } }, { "index": 6, "nt1": "///T/6", "nt2": "///A/401", "bp": "T-a", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -103.038, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 53.674, "chi2": -152.778, "conf2": "anti", "pucker2": "~C3'-endo", "lambda2": 54.475, "C1C1_dist": 10.617, "N1N9_dist": 8.857, "C6C8_dist": 9.798, "CNNC_torsion": 10.761, "hbonds_num": 2, "hbonds_desc": "N3(imino)-N1[2.74],O4(carbonyl)-N6(amino)[2.92]", "interBase_angle": 17.603, "planarity": 0.233, "simple_Shear": -0.106, "simple_Stretch": -0.162, "simple_Buckle": -8.325, "simple_Propeller": 15.510, "bp_simpleParams": [ -0.106, -0.162, -0.016, -8.325, 15.510, -0.151 ], "bp_params": [ -0.103, -0.164, -0.016, -8.652, 15.330, -0.152 ], "frame": { "rmsd": null, "origin": [ 10.572, 8.602, 8.383 ], "x_axis": [ 0.690, -0.259, 0.676 ], "y_axis": [ 0.722, 0.182, -0.667 ], "z_axis": [ 0.050, 0.948, 0.313 ], "quaternion": [ 0.739, -0.546, -0.212, -0.332 ] } }, { "index": 7, "nt1": "///T/7", "nt2": "///P/10", "bp": "G-c", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -112.316, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 53.872, "chi2": -153.977, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 54.244, "C1C1_dist": 10.673, "N1N9_dist": 8.939, "C6C8_dist": 9.890, "CNNC_torsion": -4.649, "hbonds_num": 3, "hbonds_desc": "O6(carbonyl)-N4(amino)[2.92],N1(imino)-N3[2.87],N2(amino)-O2(carbonyl)[2.72]", "interBase_angle": 5.830, "planarity": 0.088, "simple_Shear": -0.215, "simple_Stretch": -0.141, "simple_Buckle": 3.704, "simple_Propeller": -4.503, "bp_simpleParams": [ -0.215, -0.141, -0.017, 3.704, -4.503, 0.903 ], "bp_params": [ -0.213, -0.145, -0.017, 3.779, -4.440, 0.903 ], "frame": { "rmsd": null, "origin": [ 11.051, 11.090, 10.306 ], "x_axis": [ 0.890, -0.393, 0.231 ], "y_axis": [ 0.376, 0.346, -0.860 ], "z_axis": [ 0.258, 0.852, 0.456 ], "quaternion": [ 0.820, -0.522, 0.008, -0.234 ] } }, { "index": 8, "nt1": "///T/8", "nt2": "///P/9", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -100.786, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 55.551, "chi2": -112.830, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 53.382, "C1C1_dist": 10.589, "N1N9_dist": 8.876, "C6C8_dist": 9.845, "CNNC_torsion": 6.108, "hbonds_num": 3, "hbonds_desc": "O2(carbonyl)-N2(amino)[2.65],N3-N1(imino)[2.85],N4(amino)-O6(carbonyl)[2.96]", "interBase_angle": 6.466, "planarity": 0.105, "simple_Shear": 0.143, "simple_Stretch": -0.177, "simple_Buckle": 6.177, "simple_Propeller": 1.911, "bp_simpleParams": [ 0.143, -0.177, -0.546, 6.177, 1.911, 1.718 ], "bp_params": [ 0.141, -0.179, -0.546, 6.194, 1.854, 1.716 ], "frame": { "rmsd": null, "origin": [ 12.246, 13.522, 12.356 ], "x_axis": [ 0.937, -0.198, -0.286 ], "y_axis": [ -0.122, 0.583, -0.803 ], "z_axis": [ 0.326, 0.788, 0.522 ], "quaternion": [ 0.872, -0.456, 0.175, -0.022 ] } }, { "index": 9, "nt1": "///T/9", "nt2": "///P/8", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -108.037, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 53.386, "chi2": -122.789, "conf2": "anti", "pucker2": "----", "lambda2": 54.716, "C1C1_dist": 10.614, "N1N9_dist": 8.886, "C6C8_dist": 9.829, "CNNC_torsion": -2.400, "hbonds_num": 3, "hbonds_desc": "O6(carbonyl)-N4(amino)[2.85],N1(imino)-N3[2.83],N2(amino)-O2(carbonyl)[2.70]", "interBase_angle": 3.880, "planarity": 0.067, "simple_Shear": -0.243, "simple_Stretch": -0.198, "simple_Buckle": 3.621, "simple_Propeller": -1.394, "bp_simpleParams": [ -0.243, -0.198, -0.082, 3.621, -1.394, 0.400 ], "bp_params": [ -0.239, -0.203, -0.082, 3.647, -1.325, 0.400 ], "frame": { "rmsd": null, "origin": [ 12.400, 16.557, 14.419 ], "x_axis": [ 0.636, 0.060, -0.769 ], "y_axis": [ -0.674, 0.529, -0.516 ], "z_axis": [ 0.376, 0.847, 0.377 ], "quaternion": [ 0.797, -0.427, 0.359, 0.230 ] } }, { "index": 10, "nt1": "///T/10", "nt2": "///P/7", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -108.240, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 53.771, "chi2": -108.910, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 53.084, "C1C1_dist": 10.654, "N1N9_dist": 8.892, "C6C8_dist": 9.784, "CNNC_torsion": -12.525, "hbonds_num": 3, "hbonds_desc": "O2(carbonyl)-N2(amino)[2.79],N3-N1(imino)[2.81],N4(amino)-O6(carbonyl)[2.77]", "interBase_angle": 13.392, "planarity": 0.160, "simple_Shear": 0.220, "simple_Stretch": -0.220, "simple_Buckle": 8.921, "simple_Propeller": -9.988, "bp_simpleParams": [ 0.220, -0.220, -0.011, 8.921, -9.988, -1.511 ], "bp_params": [ 0.217, -0.223, -0.011, 8.780, -10.112, -1.512 ], "frame": { "rmsd": null, "origin": [ 13.716, 19.079, 15.996 ], "x_axis": [ 0.182, 0.294, -0.938 ], "y_axis": [ -0.903, 0.427, -0.042 ], "z_axis": [ 0.388, 0.855, 0.343 ], "quaternion": [ 0.699, -0.321, 0.475, 0.429 ] } }, { "index": 11, "nt1": "///T/11", "nt2": "///P/6", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -105.638, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 56.550, "chi2": -114.426, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 54.696, "C1C1_dist": 10.592, "N1N9_dist": 8.926, "C6C8_dist": 9.960, "CNNC_torsion": -12.289, "hbonds_num": 2, "hbonds_desc": "N6(amino)-O4(carbonyl)[3.23],N1-N3(imino)[2.90]", "interBase_angle": 11.119, "planarity": 0.154, "simple_Shear": 0.234, "simple_Stretch": 0.001, "simple_Buckle": -0.812, "simple_Propeller": -11.089, "bp_simpleParams": [ 0.234, 0.001, 0.193, -0.812, -11.089, 3.731 ], "bp_params": [ 0.234, -0.006, 0.193, -1.141, -11.060, 3.748 ], "frame": { "rmsd": null, "origin": [ 15.283, 22.018, 16.842 ], "x_axis": [ -0.489, 0.370, -0.790 ], "y_axis": [ -0.804, 0.159, 0.572 ], "z_axis": [ 0.338, 0.915, 0.220 ], "quaternion": [ 0.472, -0.182, 0.597, 0.622 ] } }, { "index": 12, "nt1": "///T/12", "nt2": "///P/5", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -116.700, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 54.376, "chi2": -106.518, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 56.614, "C1C1_dist": 10.600, "N1N9_dist": 8.918, "C6C8_dist": 9.942, "CNNC_torsion": -6.167, "hbonds_num": 2, "hbonds_desc": "N3(imino)-N1[2.89],O4(carbonyl)-N6(amino)[3.11]", "interBase_angle": 8.836, "planarity": 0.116, "simple_Shear": -0.185, "simple_Stretch": -0.013, "simple_Buckle": 4.071, "simple_Propeller": -7.842, "bp_simpleParams": [ -0.185, -0.013, -0.048, 4.071, -7.842, 2.716 ], "bp_params": [ -0.184, -0.018, -0.048, 4.260, -7.741, 2.720 ], "frame": { "rmsd": null, "origin": [ 16.737, 24.901, 16.849 ], "x_axis": [ -0.803, 0.425, -0.417 ], "y_axis": [ -0.469, -0.020, 0.883 ], "z_axis": [ 0.367, 0.905, 0.215 ], "quaternion": [ 0.313, -0.018, 0.626, 0.714 ] } }, { "index": 13, "nt1": "///T/13", "nt2": "///P/4", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -114.636, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 52.601, "chi2": -100.103, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 52.197, "C1C1_dist": 10.770, "N1N9_dist": 8.979, "C6C8_dist": 9.858, "CNNC_torsion": -6.950, "hbonds_num": 3, "hbonds_desc": "O2(carbonyl)-N2(amino)[2.93],N3-N1(imino)[2.88],N4(amino)-O6(carbonyl)[2.78]", "interBase_angle": 11.284, "planarity": 0.149, "simple_Shear": 0.148, "simple_Stretch": -0.174, "simple_Buckle": -0.436, "simple_Propeller": -11.275, "bp_simpleParams": [ 0.148, -0.174, -0.127, -0.436, -11.275, -2.437 ], "bp_params": [ 0.146, -0.176, -0.127, -0.553, -11.270, -2.448 ], "frame": { "rmsd": null, "origin": [ 17.804, 28.024, 17.365 ], "x_axis": [ -0.942, 0.273, 0.194 ], "y_axis": [ 0.141, -0.203, 0.969 ], "z_axis": [ 0.304, 0.940, 0.153 ], "quaternion": [ 0.044, 0.164, 0.630, 0.758 ] } }, { "index": 14, "nt1": "///T/14", "nt2": "///P/3", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -104.966, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 56.166, "chi2": -111.236, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 52.582, "C1C1_dist": 10.558, "N1N9_dist": 8.836, "C6C8_dist": 9.825, "CNNC_torsion": -14.108, "hbonds_num": 2, "hbonds_desc": "N6(amino)-O4(carbonyl)[3.07],N1-N3(imino)[2.80]", "interBase_angle": 12.407, "planarity": 0.183, "simple_Shear": 0.296, "simple_Stretch": -0.131, "simple_Buckle": -0.904, "simple_Propeller": -12.374, "bp_simpleParams": [ 0.296, -0.131, 0.354, -0.904, -12.374, 1.161 ], "bp_params": [ 0.292, -0.141, 0.354, -1.340, -12.334, 1.168 ], "frame": { "rmsd": null, "origin": [ 18.770, 31.060, 17.992 ], "x_axis": [ -0.723, -0.047, 0.689 ], "y_axis": [ 0.664, -0.322, 0.675 ], "z_axis": [ 0.190, 0.946, 0.264 ], "quaternion": [ -0.234, 0.289, 0.533, 0.760 ] } }, { "index": 15, "nt1": "///T/15", "nt2": "///P/2", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -103.388, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 53.273, "chi2": -142.497, "conf2": "anti", "pucker2": "----", "lambda2": 54.457, "C1C1_dist": 10.493, "N1N9_dist": 8.757, "C6C8_dist": 9.722, "CNNC_torsion": -12.809, "hbonds_num": 3, "hbonds_desc": "O6(carbonyl)-N4(amino)[2.86],N1(imino)-N3[2.72],N2(amino)-O2(carbonyl)[2.61]", "interBase_angle": 15.260, "planarity": 0.202, "simple_Shear": -0.309, "simple_Stretch": -0.300, "simple_Buckle": 3.732, "simple_Propeller": -14.797, "bp_simpleParams": [ -0.309, -0.300, 0.184, 3.732, -14.797, 1.664 ], "bp_params": [ -0.300, -0.309, 0.184, 4.135, -14.689, 1.677 ], "frame": { "rmsd": null, "origin": [ 19.052, 34.096, 19.042 ], "x_axis": [ -0.340, -0.302, 0.890 ], "y_axis": [ 0.930, -0.249, 0.271 ], "z_axis": [ 0.139, 0.920, 0.366 ], "quaternion": [ -0.441, 0.368, 0.426, 0.699 ] } }, { "index": 16, "nt1": "///T/16", "nt2": "///P/1", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -118.090, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 54.126, "chi2": -163.106, "conf2": "anti", "pucker2": "~C3'-endo", "lambda2": 56.249, "C1C1_dist": 10.583, "N1N9_dist": 8.909, "C6C8_dist": 9.889, "CNNC_torsion": -11.052, "hbonds_num": 3, "hbonds_desc": "O2(carbonyl)-N2(amino)[2.73],N3-N1(imino)[2.89],N4(amino)-O6(carbonyl)[3.03]", "interBase_angle": 14.532, "planarity": 0.209, "simple_Shear": 0.030, "simple_Stretch": -0.096, "simple_Buckle": 10.529, "simple_Propeller": -10.016, "bp_simpleParams": [ 0.030, -0.096, 0.271, 10.529, -10.016, 1.613 ], "bp_params": [ 0.031, -0.096, 0.271, 10.585, -9.957, 1.612 ], "frame": { "rmsd": null, "origin": [ 18.864, 36.729, 20.688 ], "x_axis": [ 0.247, -0.481, 0.841 ], "y_axis": [ 0.955, -0.026, -0.295 ], "z_axis": [ 0.163, 0.876, 0.453 ], "quaternion": [ 0.647, -0.452, -0.262, -0.555 ] } } ], "num_helices": 2, "helices": [ { "index": 1, "num_stems": 1, "strand1": "CCGAC", "strand2": "GGCTG", "bp_type": "|||||", "helix_form": "B.B.", "helical_rise": 3.537, "helical_rise_std": 0.247, "helical_radius": 9.494, "helical_radius_std": 1.887, "helical_axis": [ -0.447, 0.170, 0.878 ], "point1": [ 30.878, 4.845, -9.740 ], "point2": [ 24.518, 7.268, 2.768 ], "num_pairs": 5, "pairs": [ { "index": 1, "nt1": "///T/1", "nt2": "///D/5", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.301, -0.184, 0.413, -16.180, -6.969, -3.604 ], "step_params": [ 0.036, 0.501, 3.011, 1.052, 6.540, 30.206 ], "heli_params": [ -0.248, 0.124, 3.049, 12.364, -1.988, 30.908 ], "bp2_params": [ 0.004, -0.114, 0.314, -1.451, -8.100, 3.110 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.011, "simple_Twist": 28.981, "simple_hRise": 3.048, "simple_hTwist": 29.713 }, { "index": 2, "nt1": "///T/2", "nt2": "///D/4", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.004, -0.114, 0.314, -1.451, -8.100, 3.110 ], "step_params": [ -0.167, 2.358, 3.500, -0.393, -1.849, 42.244 ], "heli_params": [ 3.468, 0.189, 3.400, -2.564, 0.545, 42.285 ], "bp2_params": [ -0.843, -0.098, -0.029, -5.637, -13.311, 3.375 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.500, "simple_Twist": 46.678, "simple_hRise": 3.410, "simple_hTwist": 46.714 }, { "index": 3, "nt1": "///T/3", "nt2": "///D/3", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.843, -0.098, -0.029, -5.637, -13.311, 3.375 ], "step_params": [ -0.338, 0.083, 2.981, -1.990, 1.419, 33.679 ], "heli_params": [ -0.067, 0.288, 2.996, 2.445, 3.429, 33.765 ], "bp2_params": [ -0.060, -0.101, 0.047, 7.414, -6.532, -4.622 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 2.981, "simple_Twist": 29.613, "simple_hRise": 2.997, "simple_hTwist": 29.711 }, { "index": 4, "nt1": "///T/4", "nt2": "///D/2", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.060, -0.101, 0.047, 7.414, -6.532, -4.622 ], "step_params": [ 1.113, -0.521, 3.210, 3.720, 0.583, 29.481 ], "heli_params": [ -1.138, -1.389, 3.311, 1.141, -7.272, 29.715 ], "bp2_params": [ 0.149, -0.003, -0.412, 15.179, 0.124, 0.378 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.210, "simple_Twist": 28.074, "simple_hRise": 3.315, "simple_hTwist": 28.320 }, { "index": 5, "nt1": "///T/5", "nt2": "///D/1", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W" } ] }, { "index": 2, "num_stems": 1, "strand1": "TGCGCATCAGC", "strand2": "acGCGTAGTCG", "bp_type": "|||||||||||", "helix_form": "xB.BBBBBBB", "helical_rise": 3.305, "helical_rise_std": 0.342, "helical_radius": 9.815, "helical_radius_std": 0.786, "helical_axis": [ 0.282, 0.910, 0.305 ], "point1": [ 10.773, 6.848, 10.684 ], "point2": [ 20.184, 37.157, 20.843 ], "num_pairs": 11, "pairs": [ { "index": 1, "nt1": "///T/6", "nt2": "///A/401", "bp": "T-a", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.103, -0.164, -0.016, -8.652, 15.330, -0.152 ], "step_params": [ 0.447, -0.653, 3.080, 1.175, 15.513, 24.956 ], "heli_params": [ -4.275, -0.656, 2.306, 32.210, -2.440, 29.343 ], "bp2_params": [ -0.213, -0.145, -0.017, 3.779, -4.440, 0.903 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.080, "simple_Twist": 25.296, "simple_hRise": 2.319, "simple_hTwist": 29.631 }, { "index": 2, "nt1": "///T/7", "nt2": "///P/10", "bp": "G-c", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.213, -0.145, -0.017, 3.779, -4.440, 0.903 ], "step_params": [ 0.291, -0.480, 3.352, 4.579, 4.715, 31.897 ], "heli_params": [ -1.696, 0.297, 3.258, 8.468, -8.223, 32.550 ], "bp2_params": [ 0.141, -0.179, -0.546, 6.194, 1.854, 1.716 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.352, "simple_Twist": 29.853, "simple_hRise": 3.247, "simple_hTwist": 30.552 }, { "index": 3, "nt1": "///T/8", "nt2": "///P/9", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.141, -0.179, -0.546, 6.194, 1.854, 1.716 ], "step_params": [ -1.174, 0.210, 3.474, -6.605, 6.766, 35.905 ], "heli_params": [ -0.667, 0.872, 3.606, 10.747, 10.492, 37.089 ], "bp2_params": [ -0.239, -0.203, -0.082, 3.647, -1.325, 0.400 ], "groove_widths": [ null, null, 20.565, null ], "simple_Rise": 3.474, "simple_Twist": 38.068, "simple_hRise": 3.604, "simple_hTwist": 39.182 }, { "index": 4, "nt1": "///T/9", "nt2": "///P/8", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.239, -0.203, -0.082, 3.647, -1.325, 0.400 ], "step_params": [ -0.374, -0.299, 3.216, -0.195, 2.086, 31.119 ], "heli_params": [ -0.946, 0.659, 3.192, 3.882, 0.362, 31.187 ], "bp2_params": [ 0.217, -0.223, -0.011, 8.780, -10.112, -1.512 ], "groove_widths": [ 13.759, null, 16.892, 16.703 ], "simple_Rise": 3.216, "simple_Twist": 28.678, "simple_hRise": 3.189, "simple_hTwist": 28.753 }, { "index": 5, "nt1": "///T/10", "nt2": "///P/7", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.217, -0.223, -0.011, 8.780, -10.112, -1.512 ], "step_params": [ 0.024, -0.357, 3.418, -1.711, 8.212, 39.640 ], "heli_params": [ -1.468, -0.232, 3.280, 11.948, 2.490, 40.482 ], "bp2_params": [ 0.234, -0.006, 0.193, -1.141, -11.060, 3.748 ], "groove_widths": [ 12.739, 12.370, 15.642, 14.996 ], "simple_Rise": 3.418, "simple_Twist": 39.179, "simple_hRise": 3.277, "simple_hTwist": 40.033 }, { "index": 6, "nt1": "///T/11", "nt2": "///P/6", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.234, -0.006, 0.193, -1.141, -11.060, 3.748 ], "step_params": [ 0.200, -0.734, 3.138, 1.323, -1.175, 28.388 ], "heli_params": [ -1.234, -0.113, 3.171, -2.392, -2.694, 28.442 ], "bp2_params": [ -0.184, -0.018, -0.048, 4.260, -7.741, 2.720 ], "groove_widths": [ 12.036, 11.801, 18.105, 17.308 ], "simple_Rise": 3.138, "simple_Twist": 31.033, "simple_hRise": 3.168, "simple_hTwist": 31.082 }, { "index": 7, "nt1": "///T/12", "nt2": "///P/5", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.184, -0.018, -0.048, 4.260, -7.741, 2.720 ], "step_params": [ 0.075, -0.093, 3.339, 3.125, 4.488, 37.380 ], "heli_params": [ -0.735, 0.296, 3.301, 6.957, -4.844, 37.764 ], "bp2_params": [ 0.146, -0.176, -0.127, -0.553, -11.270, -2.448 ], "groove_widths": [ 12.127, 12.013, 17.125, 16.005 ], "simple_Rise": 3.339, "simple_Twist": 35.216, "simple_hRise": 3.296, "simple_hTwist": 35.625 }, { "index": 8, "nt1": "///T/13", "nt2": "///P/4", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.146, -0.176, -0.127, -0.553, -11.270, -2.448 ], "step_params": [ -0.170, 0.034, 3.242, -2.658, 8.727, 35.678 ], "heli_params": [ -1.129, -0.091, 3.167, 13.963, 4.253, 36.789 ], "bp2_params": [ 0.292, -0.141, 0.354, -1.340, -12.334, 1.168 ], "groove_widths": [ 13.162, null, 16.730, null ], "simple_Rise": 3.242, "simple_Twist": 34.898, "simple_hRise": 3.163, "simple_hTwist": 36.035 }, { "index": 9, "nt1": "///T/14", "nt2": "///P/3", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.292, -0.141, 0.354, -1.340, -12.334, 1.168 ], "step_params": [ 0.160, -0.195, 3.215, -0.899, 6.621, 28.311 ], "heli_params": [ -1.807, -0.511, 3.084, 13.303, 1.806, 29.073 ], "bp2_params": [ -0.300, -0.309, 0.184, 4.135, -14.689, 1.677 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.215, "simple_Twist": 32.057, "simple_hRise": 3.108, "simple_hTwist": 32.728 }, { "index": 10, "nt1": "///T/15", "nt2": "///P/2", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.300, -0.309, 0.184, 4.135, -14.689, 1.677 ], "step_params": [ 0.436, -0.633, 3.015, -1.659, 5.541, 35.433 ], "heli_params": [ -1.744, -0.923, 2.864, 9.029, 2.703, 35.887 ], "bp2_params": [ 0.031, -0.096, 0.271, 10.585, -9.957, 1.612 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.015, "simple_Twist": 33.286, "simple_hRise": 2.851, "simple_hTwist": 33.770 }, { "index": 11, "nt1": "///T/16", "nt2": "///P/1", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W" } ] } ], "num_stems": 2, "stems": [ { "index": 1, "helix_index": 1, "strand1": "CCGAC", "strand2": "GGCTG", "bp_type": "|||||", "helix_form": "B.B.", "helical_rise": 3.537, "helical_rise_std": 0.247, "helical_radius": 9.494, "helical_radius_std": 1.887, "helical_axis": [ -0.447, 0.170, 0.878 ], "point1": [ 30.878, 4.845, -9.740 ], "point2": [ 24.518, 7.268, 2.768 ], "num_pairs": 5, "pairs": [ { "index": 1, "nt1": "///T/1", "nt2": "///D/5", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.301, -0.184, 0.413, -16.180, -6.969, -3.604 ], "step_params": [ 0.036, 0.501, 3.011, 1.052, 6.540, 30.206 ], "heli_params": [ -0.248, 0.124, 3.049, 12.364, -1.988, 30.908 ], "bp2_params": [ 0.004, -0.114, 0.314, -1.451, -8.100, 3.110 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.011, "simple_Twist": 28.981, "simple_hRise": 3.048, "simple_hTwist": 29.713 }, { "index": 2, "nt1": "///T/2", "nt2": "///D/4", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.004, -0.114, 0.314, -1.451, -8.100, 3.110 ], "step_params": [ -0.167, 2.358, 3.500, -0.393, -1.849, 42.244 ], "heli_params": [ 3.468, 0.189, 3.400, -2.564, 0.545, 42.285 ], "bp2_params": [ -0.843, -0.098, -0.029, -5.637, -13.311, 3.375 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.500, "simple_Twist": 46.678, "simple_hRise": 3.410, "simple_hTwist": 46.714 }, { "index": 3, "nt1": "///T/3", "nt2": "///D/3", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.843, -0.098, -0.029, -5.637, -13.311, 3.375 ], "step_params": [ -0.338, 0.083, 2.981, -1.990, 1.419, 33.679 ], "heli_params": [ -0.067, 0.288, 2.996, 2.445, 3.429, 33.765 ], "bp2_params": [ -0.060, -0.101, 0.047, 7.414, -6.532, -4.622 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 2.981, "simple_Twist": 29.613, "simple_hRise": 2.997, "simple_hTwist": 29.711 }, { "index": 4, "nt1": "///T/4", "nt2": "///D/2", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.060, -0.101, 0.047, 7.414, -6.532, -4.622 ], "step_params": [ 1.113, -0.521, 3.210, 3.720, 0.583, 29.481 ], "heli_params": [ -1.138, -1.389, 3.311, 1.141, -7.272, 29.715 ], "bp2_params": [ 0.149, -0.003, -0.412, 15.179, 0.124, 0.378 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.210, "simple_Twist": 28.074, "simple_hRise": 3.315, "simple_hTwist": 28.320 }, { "index": 5, "nt1": "///T/5", "nt2": "///D/1", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W" } ] }, { "index": 2, "helix_index": 2, "strand1": "GCGCATCAGC", "strand2": "cGCGTAGTCG", "bp_type": "||||||||||", "helix_form": "B.BBBBBBB", "helical_rise": 3.239, "helical_rise_std": 0.250, "helical_radius": 9.815, "helical_radius_std": 0.663, "helical_axis": [ 0.285, 0.900, 0.330 ], "point1": [ 11.640, 10.683, 11.611 ], "point2": [ 19.961, 36.999, 21.261 ], "num_pairs": 10, "pairs": [ { "index": 1, "nt1": "///T/7", "nt2": "///P/10", "bp": "G-c", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.213, -0.145, -0.017, 3.779, -4.440, 0.903 ], "step_params": [ 0.291, -0.480, 3.352, 4.579, 4.715, 31.897 ], "heli_params": [ -1.696, 0.297, 3.258, 8.468, -8.223, 32.550 ], "bp2_params": [ 0.141, -0.179, -0.546, 6.194, 1.854, 1.716 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.352, "simple_Twist": 29.853, "simple_hRise": 3.247, "simple_hTwist": 30.552 }, { "index": 2, "nt1": "///T/8", "nt2": "///P/9", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.141, -0.179, -0.546, 6.194, 1.854, 1.716 ], "step_params": [ -1.174, 0.210, 3.474, -6.605, 6.766, 35.905 ], "heli_params": [ -0.667, 0.872, 3.606, 10.747, 10.492, 37.089 ], "bp2_params": [ -0.239, -0.203, -0.082, 3.647, -1.325, 0.400 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.474, "simple_Twist": 38.068, "simple_hRise": 3.604, "simple_hTwist": 39.182 }, { "index": 3, "nt1": "///T/9", "nt2": "///P/8", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.239, -0.203, -0.082, 3.647, -1.325, 0.400 ], "step_params": [ -0.374, -0.299, 3.216, -0.195, 2.086, 31.119 ], "heli_params": [ -0.946, 0.659, 3.192, 3.882, 0.362, 31.187 ], "bp2_params": [ 0.217, -0.223, -0.011, 8.780, -10.112, -1.512 ], "groove_widths": [ 13.759, null, 16.892, null ], "simple_Rise": 3.216, "simple_Twist": 28.678, "simple_hRise": 3.189, "simple_hTwist": 28.753 }, { "index": 4, "nt1": "///T/10", "nt2": "///P/7", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.217, -0.223, -0.011, 8.780, -10.112, -1.512 ], "step_params": [ 0.024, -0.357, 3.418, -1.711, 8.212, 39.640 ], "heli_params": [ -1.468, -0.232, 3.280, 11.948, 2.490, 40.482 ], "bp2_params": [ 0.234, -0.006, 0.193, -1.141, -11.060, 3.748 ], "groove_widths": [ 12.739, 12.370, 15.642, 14.996 ], "simple_Rise": 3.418, "simple_Twist": 39.179, "simple_hRise": 3.277, "simple_hTwist": 40.033 }, { "index": 5, "nt1": "///T/11", "nt2": "///P/6", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.234, -0.006, 0.193, -1.141, -11.060, 3.748 ], "step_params": [ 0.200, -0.734, 3.138, 1.323, -1.175, 28.388 ], "heli_params": [ -1.234, -0.113, 3.171, -2.392, -2.694, 28.442 ], "bp2_params": [ -0.184, -0.018, -0.048, 4.260, -7.741, 2.720 ], "groove_widths": [ 12.036, 11.801, 18.105, 17.308 ], "simple_Rise": 3.138, "simple_Twist": 31.033, "simple_hRise": 3.168, "simple_hTwist": 31.082 }, { "index": 6, "nt1": "///T/12", "nt2": "///P/5", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.184, -0.018, -0.048, 4.260, -7.741, 2.720 ], "step_params": [ 0.075, -0.093, 3.339, 3.125, 4.488, 37.380 ], "heli_params": [ -0.735, 0.296, 3.301, 6.957, -4.844, 37.764 ], "bp2_params": [ 0.146, -0.176, -0.127, -0.553, -11.270, -2.448 ], "groove_widths": [ 12.127, 12.013, 17.125, 16.005 ], "simple_Rise": 3.339, "simple_Twist": 35.216, "simple_hRise": 3.296, "simple_hTwist": 35.625 }, { "index": 7, "nt1": "///T/13", "nt2": "///P/4", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.146, -0.176, -0.127, -0.553, -11.270, -2.448 ], "step_params": [ -0.170, 0.034, 3.242, -2.658, 8.727, 35.678 ], "heli_params": [ -1.129, -0.091, 3.167, 13.963, 4.253, 36.789 ], "bp2_params": [ 0.292, -0.141, 0.354, -1.340, -12.334, 1.168 ], "groove_widths": [ 13.162, null, 16.730, null ], "simple_Rise": 3.242, "simple_Twist": 34.898, "simple_hRise": 3.163, "simple_hTwist": 36.035 }, { "index": 8, "nt1": "///T/14", "nt2": "///P/3", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.292, -0.141, 0.354, -1.340, -12.334, 1.168 ], "step_params": [ 0.160, -0.195, 3.215, -0.899, 6.621, 28.311 ], "heli_params": [ -1.807, -0.511, 3.084, 13.303, 1.806, 29.073 ], "bp2_params": [ -0.300, -0.309, 0.184, 4.135, -14.689, 1.677 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.215, "simple_Twist": 32.057, "simple_hRise": 3.108, "simple_hTwist": 32.728 }, { "index": 9, "nt1": "///T/15", "nt2": "///P/2", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.300, -0.309, 0.184, 4.135, -14.689, 1.677 ], "step_params": [ 0.436, -0.633, 3.015, -1.659, 5.541, 35.433 ], "heli_params": [ -1.744, -0.923, 2.864, 9.029, 2.703, 35.887 ], "bp2_params": [ 0.031, -0.096, 0.271, 10.585, -9.957, 1.612 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.015, "simple_Twist": 33.286, "simple_hRise": 2.851, "simple_hTwist": 33.770 }, { "index": 10, "nt1": "///T/16", "nt2": "///P/1", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W" } ] } ], "num_isoCanonPairs": 1, "isoCanonPairs": [ { "index": -1, "helix_index": 2, "nt1": "///T/6", "nt2": "///A/401", "bp": "T-a", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W" } ], "num_stacks": 3, "stacks": [ { "index": 1, "num_nts": 2, "nts_short": "CH", "nts_long": "///T/5,///A/34" }, { "index": 2, "num_nts": 2, "nts_short": "TG", "nts_long": "///T/6,///T/7" }, { "index": 3, "num_nts": 2, "nts_short": "ca", "nts_long": "///P/10,///A/401" } ], "num_splayUnits": 1, "splayUnits": [ { "index": 1, "num_nts": 2, "nts_short": "CT", "nts_long": "///T/5,///T/6" } ], "dbn": { "all_chains": { "num_nts": 32, "num_chars": 35, "bseq": "CCGACTGCGCATCAGC&GCTGATGCGc>CGG&a", "bseqUP": "CCGACTGCGCATCAGC&GCTGATGCGC>CGG&A", "sstr": "(((((.((((((((((&))))))))))&)))))&.", "form": "B.BB..B.BB.BBBB-&.BBB.B.BB-&BB.B-&-" }, "chain_T": { "num_nts": 16, "num_chars": 16, "bseq": "CCGACTGCGCATCAGC", "bseqUP": "CCGACTGCGCATCAGC", "sstr": "(((((.((((((((((", "form": "B.BB..B.BB.BBBB-" }, "chain_P": { "num_nts": 10, "num_chars": 10, "bseq": "GCTGATGCGc", "bseqUP": "GCTGATGCGC", "sstr": "))))))))))", "form": ".BBB.B.BB-" }, "chain_D": { "num_nts": 5, "num_chars": 5, "bseq": "GTCGG", "bseqUP": "GTCGG", "sstr": ")))))", "form": "BB.B-" } }, "chains": { "chain_T": { "num_nts": 16, "bseq": "CCGACTGCGCATCAGC", "sstr": "(((((.((((((((((", "form": "B.BB..B.BB.BBBB-", "helical_rise": 2.772, "helical_rise_std": 1.269, "helical_axis": [ 0.077, 0.792, 0.606 ], "point1": [ 17.757, 2.657, -3.218 ], "point2": [ 20.919, 35.070, 21.582 ], "num_chars": 46, "suite": "C!!C4bG!!A!!C!!T!!G!!C4bG!!C!!A!!T!!C!!A!!G!!C" }, "chain_P": { "num_nts": 10, "bseq": "GCTGATGCGc", "sstr": "))))))))))", "form": ".BBB.B.BB-", "helical_rise": 3.239, "helical_rise_std": 0.304, "helical_axis": [ -0.262, -0.915, -0.307 ], "point1": [ 19.551, 36.769, 20.639 ], "point2": [ 11.891, 9.981, 11.649 ], "num_chars": 28, "suite": "G1aC1bT!!G!!A!!T!!G!!C1bG__c" }, "chain_D": { "num_nts": 5, "bseq": "GTCGG", "sstr": ")))))", "form": "BB.B-", "helical_rise": 3.658, "helical_rise_std": 0.088, "helical_axis": [ 0.384, -0.183, -0.905 ], "point1": [ 24.769, 5.972, 2.827 ], "point2": [ 30.401, 3.282, -10.438 ], "num_chars": 13, "suite": "G!!T!!C4bG!!G" } }, "num_nts": 32, "nts": [ { "index": 1, "index_chain": 1, "chain_name": "T", "nt_resnum": 1, "nt_name": "DC", "nt_code": "C", "nt_id": "///T/1", "linked_nts": [ null, "///T/2" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix-end,stem-end", "alpha": null, "beta": null, "gamma": 153.555, "delta": 162.624, "epsilon": -158.629, "zeta": -88.776, "epsilon_zeta": -69.853, "bb_type": "BI", "chi": -125.034, "glyco_bond": "anti", "C5prime_xyz": [ -1.119, 8.357, -0.550 ], "P_xyz": [ null, null, null ], "form": "B", "ssZp": 1.603, "Dp": 1.623, "splay_angle": 17.883, "splay_distance": 3.020, "splay_ratio": 0.156, "d22": 4.444, "d64": 3.635, "eta": null, "theta": null, "eta_prime": null, "theta_prime": null, "eta_base": null, "theta_base": null, "v0": -6.372, "v1": 30.329, "v2": -41.296, "v3": 38.810, "v4": -20.469, "amplitude": 41.943, "phase_angle": 190.073, "puckering": "C3'-exo", "sugar_class": "~C2'-endo", "bin": "inc", "cluster": "__", "suiteness": 0.000, "filter_rmsd": 0.062, "frame": { "rmsd": 0.005, "origin": [ 28.963, 2.552, -9.209 ], "x_axis": [ -0.180, -0.973, 0.143 ], "y_axis": [ 0.919, -0.115, 0.377 ], "z_axis": [ -0.350, 0.200, 0.915 ], "quaternion": [ 0.636, 0.070, -0.194, -0.743 ] } }, { "index": 2, "index_chain": 2, "chain_name": "T", "nt_resnum": 2, "nt_name": "DC", "nt_code": "C", "nt_id": "///T/2", "linked_nts": [ "///T/1", "///T/3" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BII,canonical,non-pair-contact,helix,stem", "alpha": -83.020, "beta": 179.027, "gamma": 45.459, "delta": 142.848, "epsilon": -102.055, "zeta": 166.706, "epsilon_zeta": 91.239, "bb_type": "BII", "chi": -86.824, "glyco_bond": "anti", "C5prime_xyz": [ -3.030, 7.790, -2.513 ], "P_xyz": [ -0.930, 9.196, -3.162 ], "form": ".", "ssZp": 0.962, "Dp": 1.028, "splay_angle": 22.355, "splay_distance": 4.027, "splay_ratio": 0.216, "d22": null, "d64": null, "eta": 166.503, "theta": 174.335, "eta_prime": -159.705, "theta_prime": 174.039, "eta_base": -118.303, "theta_base": -127.520, "v0": -29.472, "v1": 42.249, "v2": -38.170, "v3": 22.298, "v4": 4.169, "amplitude": 41.955, "phase_angle": 155.478, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.061, "frame": { "rmsd": 0.005, "origin": [ 27.976, 2.690, -6.358 ], "x_axis": [ 0.364, -0.875, 0.319 ], "y_axis": [ 0.785, 0.473, 0.401 ], "z_axis": [ -0.502, 0.104, 0.859 ], "quaternion": [ 0.821, 0.091, -0.250, -0.505 ] } }, { "index": 3, "index_chain": 3, "chain_name": "T", "nt_resnum": 3, "nt_name": "DG", "nt_code": "G", "nt_id": "///T/3", "linked_nts": [ "///T/2", "///T/4" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,canonical,non-pair-contact,helix,stem", "alpha": -63.406, "beta": 139.521, "gamma": 39.080, "delta": 131.484, "epsilon": 127.333, "zeta": -69.076, "epsilon_zeta": -163.591, "bb_type": "--", "chi": -95.751, "glyco_bond": "anti", "C5prime_xyz": [ -2.024, 7.915, -2.413 ], "P_xyz": [ 0.599, 8.055, -2.419 ], "form": "B", "ssZp": 1.607, "Dp": 1.716, "splay_angle": 18.508, "splay_distance": 3.025, "splay_ratio": 0.162, "d22": null, "d64": null, "eta": 148.267, "theta": -113.050, "eta_prime": -165.609, "theta_prime": -152.907, "eta_base": -112.064, "theta_base": -118.626, "v0": -11.899, "v1": 22.693, "v2": -24.513, "v3": 18.280, "v4": -4.253, "amplitude": 24.824, "phase_angle": 170.918, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "4b", "suiteness": 0.302, "filter_rmsd": 0.013, "frame": { "rmsd": 0.013, "origin": [ 27.333, 4.845, -3.017 ], "x_axis": [ 0.744, -0.318, 0.588 ], "y_axis": [ 0.343, 0.937, 0.072 ], "z_axis": [ -0.574, 0.148, 0.805 ], "quaternion": [ 0.933, -0.021, -0.311, -0.177 ] } }, { "index": 4, "index_chain": 4, "chain_name": "T", "nt_resnum": 4, "nt_name": "DA", "nt_code": "A", "nt_id": "///T/4", "linked_nts": [ "///T/3", "///T/5" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -136.633, "beta": -111.459, "gamma": 74.536, "delta": 120.350, "epsilon": 166.074, "zeta": -97.299, "epsilon_zeta": -96.627, "bb_type": "BI", "chi": -90.621, "glyco_bond": "anti", "C5prime_xyz": [ -3.331, 7.631, -2.604 ], "P_xyz": [ -1.103, 9.041, -2.749 ], "form": "B", "ssZp": 2.324, "Dp": 2.554, "splay_angle": 18.793, "splay_distance": 3.254, "splay_ratio": 0.165, "d22": null, "d64": null, "eta": 157.169, "theta": -149.593, "eta_prime": 175.893, "theta_prime": -163.055, "eta_base": -141.152, "theta_base": -120.753, "v0": -35.944, "v1": 35.452, "v2": -21.900, "v3": 2.101, "v4": 21.109, "amplitude": 36.640, "phase_angle": 126.707, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.036, "frame": { "rmsd": 0.006, "origin": [ 25.903, 5.028, -0.358 ], "x_axis": [ 0.845, 0.181, 0.504 ], "y_axis": [ -0.145, 0.983, -0.109 ], "z_axis": [ -0.515, 0.019, 0.857 ], "quaternion": [ 0.960, -0.033, -0.266, 0.085 ] } }, { "index": 5, "index_chain": 5, "chain_name": "T", "nt_resnum": 5, "nt_name": "DC", "nt_code": "C", "nt_id": "///T/5", "linked_nts": [ "///T/4", "///T/6" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,canonical,non-pair-contact,helix-end,stem-end,splayed-apart", "alpha": -42.395, "beta": 172.079, "gamma": 47.544, "delta": 136.002, "epsilon": -171.128, "zeta": 66.912, "epsilon_zeta": 121.960, "bb_type": "--", "chi": -107.205, "glyco_bond": "anti", "C5prime_xyz": [ -2.786, 8.381, -1.888 ], "P_xyz": [ -0.636, 9.814, -2.300 ], "form": ".", "ssZp": 2.603, "Dp": 2.449, "splay_angle": 131.428, "splay_distance": 16.498, "splay_ratio": 0.912, "d22": 9.493, "d64": 11.924, "eta": 175.998, "theta": 57.126, "eta_prime": -161.803, "theta_prime": -21.689, "eta_base": -114.756, "theta_base": -129.582, "v0": -36.215, "v1": 44.433, "v2": -34.885, "v3": 15.021, "v4": 13.111, "amplitude": 43.261, "phase_angle": 143.745, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.064, "frame": { "rmsd": 0.008, "origin": [ 25.685, 5.386, 2.869 ], "x_axis": [ 0.677, 0.670, 0.305 ], "y_axis": [ -0.640, 0.740, -0.205 ], "z_axis": [ -0.363, -0.056, 0.930 ], "quaternion": [ 0.915, -0.041, -0.182, 0.358 ] } }, { "index": 6, "index_chain": 6, "chain_name": "T", "nt_resnum": 6, "nt_name": "DT", "nt_code": "T", "nt_id": "///T/6", "linked_nts": [ "///T/5", "///T/7" ], "nt_type": "DNA", "dbn": ".", "summary": "anti,~C2'-endo,BI,isolated-canonical,non-pair-contact,helix-end,phosphate,splayed-apart", "alpha": 72.322, "beta": 160.005, "gamma": 54.849, "delta": 145.634, "epsilon": -172.256, "zeta": -90.245, "epsilon_zeta": -82.011, "bb_type": "BI", "chi": -103.038, "glyco_bond": "anti", "C5prime_xyz": [ -1.924, 8.115, -1.951 ], "P_xyz": [ 0.624, 8.509, -1.875 ], "form": ".", "ssZp": 1.636, "Dp": 1.839, "splay_angle": 17.513, "splay_distance": 3.201, "splay_ratio": 0.158, "d22": null, "d64": null, "eta": -56.104, "theta": -112.351, "eta_prime": 35.809, "theta_prime": -144.882, "eta_base": 141.399, "theta_base": -118.001, "v0": -13.939, "v1": 29.876, "v2": -33.435, "v3": 26.531, "v4": -8.188, "amplitude": 33.566, "phase_angle": 174.948, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.106, "frame": { "rmsd": 0.011, "origin": [ 10.477, 8.593, 8.400 ], "x_axis": [ 0.672, -0.384, 0.633 ], "y_axis": [ 0.714, 0.111, -0.691 ], "z_axis": [ 0.195, 0.916, 0.349 ], "quaternion": [ 0.730, -0.550, -0.150, -0.376 ] } }, { "index": 7, "index_chain": 7, "chain_name": "T", "nt_resnum": 7, "nt_name": "DG", "nt_code": "G", "nt_id": "///T/7", "linked_nts": [ "///T/6", "///T/8" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem-end,phosphate", "alpha": -70.674, "beta": 172.550, "gamma": 49.662, "delta": 110.377, "epsilon": 174.942, "zeta": -97.379, "epsilon_zeta": -87.680, "bb_type": "BI", "chi": -112.316, "glyco_bond": "anti", "C5prime_xyz": [ -3.331, 8.202, -2.109 ], "P_xyz": [ -1.637, 10.043, -2.802 ], "form": "B", "ssZp": 2.439, "Dp": 2.529, "splay_angle": 18.364, "splay_distance": 3.163, "splay_ratio": 0.161, "d22": null, "d64": null, "eta": 158.995, "theta": -167.579, "eta_prime": -177.547, "theta_prime": -170.414, "eta_base": -142.542, "theta_base": -130.562, "v0": -43.343, "v1": 35.758, "v2": -16.009, "v3": -8.115, "v4": 32.087, "amplitude": 41.940, "phase_angle": 112.440, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.009, "frame": { "rmsd": 0.009, "origin": [ 10.927, 11.099, 10.339 ], "x_axis": [ 0.902, -0.357, 0.242 ], "y_axis": [ 0.377, 0.377, -0.846 ], "z_axis": [ 0.211, 0.855, 0.474 ], "quaternion": [ 0.830, -0.513, -0.009, -0.221 ] } }, { "index": 8, "index_chain": 8, "chain_name": "T", "nt_resnum": 8, "nt_name": "DC", "nt_code": "C", "nt_id": "///T/8", "linked_nts": [ "///T/7", "///T/9" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -50.957, "beta": -179.585, "gamma": 42.467, "delta": 144.489, "epsilon": -149.733, "zeta": -153.418, "epsilon_zeta": 3.685, "bb_type": "--", "chi": -100.786, "glyco_bond": "anti", "C5prime_xyz": [ -2.684, 8.175, -2.109 ], "P_xyz": [ -0.633, 9.788, -2.131 ], "form": ".", "ssZp": 1.846, "Dp": 1.937, "splay_angle": 24.156, "splay_distance": 3.950, "splay_ratio": 0.214, "d22": null, "d64": null, "eta": 178.121, "theta": -174.624, "eta_prime": -161.520, "theta_prime": -176.277, "eta_base": -121.507, "theta_base": -138.670, "v0": -31.112, "v1": 43.295, "v2": -38.436, "v3": 21.764, "v4": 5.425, "amplitude": 42.817, "phase_angle": 153.854, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.062, "frame": { "rmsd": 0.006, "origin": [ 12.234, 13.241, 12.265 ], "x_axis": [ 0.930, -0.201, -0.306 ], "y_axis": [ -0.118, 0.628, -0.769 ], "z_axis": [ 0.347, 0.752, 0.560 ], "quaternion": [ 0.883, -0.431, 0.185, -0.024 ] } }, { "index": 9, "index_chain": 9, "chain_name": "T", "nt_resnum": 9, "nt_name": "DG", "nt_code": "G", "nt_id": "///T/9", "linked_nts": [ "///T/8", "///T/10" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -56.022, "beta": 172.436, "gamma": 40.090, "delta": 144.762, "epsilon": -174.519, "zeta": -92.171, "epsilon_zeta": -82.349, "bb_type": "BI", "chi": -108.037, "glyco_bond": "anti", "C5prime_xyz": [ -1.501, 8.141, -1.667 ], "P_xyz": [ 0.931, 8.710, -0.958 ], "form": "B", "ssZp": 1.586, "Dp": 1.799, "splay_angle": 18.832, "splay_distance": 3.268, "splay_ratio": 0.164, "d22": null, "d64": null, "eta": 174.782, "theta": -123.175, "eta_prime": -169.341, "theta_prime": -143.604, "eta_base": -132.931, "theta_base": -110.649, "v0": -5.664, "v1": 22.124, "v2": -29.194, "v3": 26.902, "v4": -13.636, "amplitude": 29.486, "phase_angle": 188.077, "puckering": "C3'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "4b", "suiteness": 0.030, "filter_rmsd": 0.006, "frame": { "rmsd": 0.006, "origin": [ 12.377, 16.462, 14.547 ], "x_axis": [ 0.638, 0.072, -0.767 ], "y_axis": [ -0.664, 0.555, -0.501 ], "z_axis": [ 0.389, 0.829, 0.402 ], "quaternion": [ 0.805, -0.413, 0.359, 0.229 ] } }, { "index": 10, "index_chain": 10, "chain_name": "T", "nt_resnum": 10, "nt_name": "DC", "nt_code": "C", "nt_id": "///T/10", "linked_nts": [ "///T/9", "///T/11" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -70.136, "beta": 174.187, "gamma": 55.660, "delta": 131.986, "epsilon": -174.059, "zeta": -110.843, "epsilon_zeta": -63.216, "bb_type": "BI", "chi": -108.240, "glyco_bond": "anti", "C5prime_xyz": [ -2.770, 8.336, -2.017 ], "P_xyz": [ -0.649, 9.797, -2.273 ], "form": "B", "ssZp": 2.108, "Dp": 2.230, "splay_angle": 21.368, "splay_distance": 3.514, "splay_ratio": 0.185, "d22": null, "d64": null, "eta": 162.750, "theta": -155.143, "eta_prime": -166.103, "theta_prime": -165.065, "eta_base": -126.139, "theta_base": -115.690, "v0": -33.773, "v1": 40.832, "v2": -32.154, "v3": 13.904, "v4": 12.047, "amplitude": 39.907, "phase_angle": 143.679, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.064, "frame": { "rmsd": 0.008, "origin": [ 13.834, 19.058, 15.897 ], "x_axis": [ 0.230, 0.360, -0.904 ], "y_axis": [ -0.869, 0.495, -0.024 ], "z_axis": [ 0.439, 0.791, 0.427 ], "quaternion": [ 0.733, -0.278, 0.458, 0.419 ] } }, { "index": 11, "index_chain": 11, "chain_name": "T", "nt_resnum": 11, "nt_name": "DA", "nt_code": "A", "nt_id": "///T/11", "linked_nts": [ "///T/10", "///T/12" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -60.158, "beta": -173.611, "gamma": 41.992, "delta": 145.178, "epsilon": -172.193, "zeta": -100.191, "epsilon_zeta": -72.002, "bb_type": "BI", "chi": -105.638, "glyco_bond": "anti", "C5prime_xyz": [ -1.851, 8.219, -1.864 ], "P_xyz": [ 0.420, 9.392, -1.408 ], "form": ".", "ssZp": 1.825, "Dp": 1.916, "splay_angle": 17.276, "splay_distance": 3.105, "splay_ratio": 0.155, "d22": null, "d64": null, "eta": 169.386, "theta": -132.482, "eta_prime": -168.825, "theta_prime": -150.174, "eta_base": -115.913, "theta_base": -118.531, "v0": -16.016, "v1": 31.600, "v2": -34.685, "v3": 26.274, "v4": -6.705, "amplitude": 35.010, "phase_angle": 172.192, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.041, "frame": { "rmsd": 0.011, "origin": [ 15.261, 22.149, 16.769 ], "x_axis": [ -0.481, 0.461, -0.746 ], "y_axis": [ -0.793, 0.135, 0.594 ], "z_axis": [ 0.375, 0.877, 0.301 ], "quaternion": [ 0.489, -0.144, 0.573, 0.641 ] } }, { "index": 12, "index_chain": 12, "chain_name": "T", "nt_resnum": 12, "nt_name": "DT", "nt_code": "T", "nt_id": "///T/12", "linked_nts": [ "///T/11", "///T/13" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -59.859, "beta": 170.553, "gamma": 47.390, "delta": 113.807, "epsilon": -169.050, "zeta": -109.059, "epsilon_zeta": -59.992, "bb_type": "BI", "chi": -116.700, "glyco_bond": "anti", "C5prime_xyz": [ -2.969, 8.390, -1.887 ], "P_xyz": [ -1.068, 10.101, -2.240 ], "form": "B", "ssZp": 2.335, "Dp": 2.456, "splay_angle": 19.239, "splay_distance": 3.313, "splay_ratio": 0.167, "d22": 4.200, "d64": 3.711, "eta": 170.380, "theta": -162.982, "eta_prime": -171.485, "theta_prime": -166.079, "eta_base": -133.180, "theta_base": -123.004, "v0": -37.964, "v1": 33.717, "v2": -17.391, "v3": -3.743, "v4": 26.039, "amplitude": 37.273, "phase_angle": 117.813, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.103, "frame": { "rmsd": 0.007, "origin": [ 16.806, 24.840, 16.874 ], "x_axis": [ -0.787, 0.485, -0.382 ], "y_axis": [ -0.436, 0.001, 0.900 ], "z_axis": [ 0.437, 0.875, 0.210 ], "quaternion": [ 0.326, 0.020, 0.628, 0.706 ] } }, { "index": 13, "index_chain": 13, "chain_name": "T", "nt_resnum": 13, "nt_name": "DC", "nt_code": "C", "nt_id": "///T/13", "linked_nts": [ "///T/12", "///T/14" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -42.859, "beta": 162.087, "gamma": 41.226, "delta": 129.943, "epsilon": -163.677, "zeta": -123.246, "epsilon_zeta": -40.431, "bb_type": "BI", "chi": -114.636, "glyco_bond": "anti", "C5prime_xyz": [ -2.562, 8.492, -1.707 ], "P_xyz": [ -0.351, 9.822, -1.735 ], "form": "B", "ssZp": 2.410, "Dp": 2.379, "splay_angle": 20.908, "splay_distance": 3.472, "splay_ratio": 0.182, "d22": null, "d64": null, "eta": 171.520, "theta": -154.363, "eta_prime": -166.697, "theta_prime": -160.099, "eta_base": -119.999, "theta_base": -116.925, "v0": -34.072, "v1": 39.132, "v2": -29.122, "v3": 10.494, "v4": 14.446, "amplitude": 38.426, "phase_angle": 139.276, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.063, "frame": { "rmsd": 0.007, "origin": [ 17.704, 28.002, 17.284 ], "x_axis": [ -0.911, 0.368, 0.188 ], "y_axis": [ 0.120, -0.200, 0.973 ], "z_axis": [ 0.395, 0.908, 0.138 ], "quaternion": [ 0.083, 0.194, 0.627, 0.750 ] } }, { "index": 14, "index_chain": 14, "chain_name": "T", "nt_resnum": 14, "nt_name": "DA", "nt_code": "A", "nt_id": "///T/14", "linked_nts": [ "///T/13", "///T/15" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -36.673, "beta": 167.417, "gamma": 32.033, "delta": 145.609, "epsilon": -157.607, "zeta": -116.362, "epsilon_zeta": -41.245, "bb_type": "BI", "chi": -104.966, "glyco_bond": "anti", "C5prime_xyz": [ -2.063, 8.214, -1.884 ], "P_xyz": [ 0.262, 9.343, -1.499 ], "form": "B", "ssZp": 1.842, "Dp": 1.932, "splay_angle": 17.984, "splay_distance": 3.144, "splay_ratio": 0.158, "d22": null, "d64": null, "eta": 173.784, "theta": -131.164, "eta_prime": -163.224, "theta_prime": -145.261, "eta_base": -116.971, "theta_base": -112.749, "v0": -19.560, "v1": 35.110, "v2": -36.494, "v3": 26.139, "v4": -4.389, "amplitude": 37.327, "phase_angle": 167.869, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.037, "frame": { "rmsd": 0.004, "origin": [ 18.651, 31.243, 18.092 ], "x_axis": [ -0.691, 0.051, 0.721 ], "y_axis": [ 0.669, -0.333, 0.665 ], "z_axis": [ 0.274, 0.941, 0.196 ], "quaternion": [ -0.207, 0.334, 0.539, 0.745 ] } }, { "index": 15, "index_chain": 15, "chain_name": "T", "nt_resnum": 15, "nt_name": "DG", "nt_code": "G", "nt_id": "///T/15", "linked_nts": [ "///T/14", "///T/16" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -44.433, "beta": 156.797, "gamma": 33.326, "delta": 130.339, "epsilon": -166.427, "zeta": -115.973, "epsilon_zeta": -50.454, "bb_type": "BI", "chi": -103.388, "glyco_bond": "anti", "C5prime_xyz": [ -3.182, 8.170, -2.088 ], "P_xyz": [ -1.197, 9.807, -2.448 ], "form": "B", "ssZp": 2.406, "Dp": 2.377, "splay_angle": 18.242, "splay_distance": 3.190, "splay_ratio": 0.162, "d22": null, "d64": null, "eta": 160.148, "theta": -150.806, "eta_prime": -173.306, "theta_prime": -162.233, "eta_base": -134.021, "theta_base": -117.219, "v0": -37.423, "v1": 42.652, "v2": -31.479, "v3": 11.029, "v4": 16.188, "amplitude": 41.927, "phase_angle": 138.660, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.004, "frame": { "rmsd": 0.004, "origin": [ 18.973, 34.264, 18.900 ], "x_axis": [ -0.308, -0.185, 0.933 ], "y_axis": [ 0.940, -0.212, 0.268 ], "z_axis": [ 0.148, 0.960, 0.239 ], "quaternion": [ -0.424, 0.408, 0.463, 0.663 ] } }, { "index": 16, "index_chain": 16, "chain_name": "T", "nt_resnum": 16, "nt_name": "DC", "nt_code": "C", "nt_id": "///T/16", "linked_nts": [ "///T/15", null ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,canonical,non-pair-contact,helix-end,stem-end", "alpha": -53.765, "beta": 161.441, "gamma": 48.276, "delta": 121.908, "epsilon": null, "zeta": null, "epsilon_zeta": null, "bb_type": "--", "chi": -118.090, "glyco_bond": "anti", "C5prime_xyz": [ -2.848, 8.519, -1.689 ], "P_xyz": [ -0.707, 9.959, -2.015 ], "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": -39.728, "v1": 39.125, "v2": -23.758, "v3": 1.823, "v4": 23.554, "amplitude": 40.405, "phase_angle": 126.015, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.062, "frame": { "rmsd": 0.006, "origin": [ 18.844, 36.841, 20.776 ], "x_axis": [ 0.270, -0.402, 0.875 ], "y_axis": [ 0.962, 0.063, -0.267 ], "z_axis": [ 0.053, 0.913, 0.404 ], "quaternion": [ 0.659, -0.448, -0.312, -0.518 ] } }, { "index": 17, "index_chain": 1, "chain_name": "P", "nt_resnum": 1, "nt_name": "DG", "nt_code": "G", "nt_id": "///P/1", "linked_nts": [ null, "///P/2" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C3'-endo,BI,canonical,non-pair-contact,helix-end,stem-end", "alpha": null, "beta": null, "gamma": 59.199, "delta": 93.654, "epsilon": -154.868, "zeta": -74.875, "epsilon_zeta": -79.993, "bb_type": "BI", "chi": -163.106, "glyco_bond": "anti", "C5prime_xyz": [ -1.675, 8.778, 0.688 ], "P_xyz": [ null, null, null ], "form": ".", "ssZp": 3.910, "Dp": 4.067, "splay_angle": 18.383, "splay_distance": 3.049, "splay_ratio": 0.160, "d22": null, "d64": null, "eta": null, "theta": null, "eta_prime": null, "theta_prime": null, "eta_base": null, "theta_base": null, "v0": -3.478, "v1": -14.021, "v2": 25.015, "v3": -27.845, "v4": 19.838, "amplitude": 27.774, "phase_angle": 25.753, "puckering": "C3'-endo", "sugar_class": "~C3'-endo", "bin": "inc", "cluster": "__", "suiteness": 0.000, "filter_rmsd": 0.008, "frame": { "rmsd": 0.008, "origin": [ 18.884, 36.617, 20.599 ], "x_axis": [ 0.214, -0.554, 0.805 ], "y_axis": [ -0.938, 0.112, 0.327 ], "z_axis": [ -0.271, -0.825, -0.495 ], "quaternion": [ 0.456, 0.632, -0.590, 0.211 ] } }, { "index": 18, "index_chain": 2, "chain_name": "P", "nt_resnum": 2, "nt_name": "DC", "nt_code": "C", "nt_id": "///P/2", "linked_nts": [ "///P/1", "///P/3" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,BI,canonical,non-pair-contact,helix,stem", "alpha": -66.100, "beta": 172.245, "gamma": 57.184, "delta": 102.748, "epsilon": -168.367, "zeta": -82.334, "epsilon_zeta": -86.033, "bb_type": "BI", "chi": -142.497, "glyco_bond": "anti", "C5prime_xyz": [ -1.711, 8.912, -0.604 ], "P_xyz": [ 0.825, 9.601, -0.369 ], "form": "B", "ssZp": 3.252, "Dp": 3.420, "splay_angle": 19.652, "splay_distance": 3.321, "splay_ratio": 0.171, "d22": 4.410, "d64": 3.853, "eta": 169.431, "theta": -144.143, "eta_prime": -168.454, "theta_prime": -143.377, "eta_base": -127.534, "theta_base": -118.585, "v0": -20.365, "v1": 7.482, "v2": 6.985, "v3": -18.751, "v4": 24.807, "amplitude": 24.230, "phase_angle": 73.246, "puckering": "O4'-endo", "sugar_class": "--", "bin": "33p", "cluster": "1a", "suiteness": 0.078, "filter_rmsd": 0.064, "frame": { "rmsd": 0.004, "origin": [ 19.132, 33.927, 19.184 ], "x_axis": [ -0.371, -0.413, 0.832 ], "y_axis": [ -0.920, 0.287, -0.268 ], "z_axis": [ -0.128, -0.865, -0.486 ], "quaternion": [ -0.328, -0.455, 0.732, -0.387 ] } }, { "index": 19, "index_chain": 3, "chain_name": "P", "nt_resnum": 3, "nt_name": "DT", "nt_code": "T", "nt_id": "///P/3", "linked_nts": [ "///P/2", "///P/4" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -52.995, "beta": 177.013, "gamma": 48.078, "delta": 136.481, "epsilon": -162.238, "zeta": -112.109, "epsilon_zeta": -50.128, "bb_type": "BI", "chi": -111.236, "glyco_bond": "anti", "C5prime_xyz": [ -2.340, 8.365, -1.767 ], "P_xyz": [ -0.018, 9.529, -1.473 ], "form": "B", "ssZp": 2.169, "Dp": 2.227, "splay_angle": 17.667, "splay_distance": 3.030, "splay_ratio": 0.154, "d22": null, "d64": null, "eta": 172.294, "theta": -136.118, "eta_prime": -157.693, "theta_prime": -146.633, "eta_base": -126.046, "theta_base": -106.715, "v0": -27.445, "v1": 36.033, "v2": -30.716, "v3": 15.886, "v4": 7.019, "amplitude": 35.473, "phase_angle": 149.986, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "32p", "cluster": "1b", "suiteness": 0.154, "filter_rmsd": 0.106, "frame": { "rmsd": 0.004, "origin": [ 18.889, 30.877, 17.893 ], "x_axis": [ -0.745, -0.146, 0.651 ], "y_axis": [ -0.659, 0.312, -0.685 ], "z_axis": [ -0.103, -0.939, -0.328 ], "quaternion": [ -0.244, -0.260, 0.772, -0.526 ] } }, { "index": 20, "index_chain": 4, "chain_name": "P", "nt_resnum": 4, "nt_name": "DG", "nt_code": "G", "nt_id": "///P/4", "linked_nts": [ "///P/3", "///P/5" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,canonical,non-pair-contact,helix,stem", "alpha": -43.776, "beta": 163.541, "gamma": 33.904, "delta": 141.757, "epsilon": -171.545, "zeta": -154.282, "epsilon_zeta": -17.263, "bb_type": "--", "chi": -100.103, "glyco_bond": "anti", "C5prime_xyz": [ -2.793, 8.178, -2.116 ], "P_xyz": [ -0.660, 9.670, -2.261 ], "form": "B", "ssZp": 2.243, "Dp": 2.235, "splay_angle": 20.845, "splay_distance": 3.381, "splay_ratio": 0.181, "d22": null, "d64": null, "eta": 159.171, "theta": -159.328, "eta_prime": -169.629, "theta_prime": -170.141, "eta_base": -122.673, "theta_base": -120.284, "v0": -30.257, "v1": 42.510, "v2": -37.960, "v3": 21.540, "v4": 5.083, "amplitude": 42.139, "phase_angle": 154.267, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.008, "frame": { "rmsd": 0.008, "origin": [ 17.905, 28.046, 17.445 ], "x_axis": [ -0.964, 0.175, 0.199 ], "y_axis": [ -0.163, 0.202, -0.966 ], "z_axis": [ -0.209, -0.964, -0.166 ], "quaternion": [ -0.134, 0.004, 0.764, -0.632 ] } }, { "index": 21, "index_chain": 5, "chain_name": "P", "nt_resnum": 5, "nt_name": "DA", "nt_code": "A", "nt_id": "///P/5", "linked_nts": [ "///P/4", "///P/6" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": 8.086, "beta": 145.243, "gamma": 5.210, "delta": 143.723, "epsilon": 174.068, "zeta": -101.959, "epsilon_zeta": -83.973, "bb_type": "BI", "chi": -106.518, "glyco_bond": "anti", "C5prime_xyz": [ -1.871, 8.188, -1.803 ], "P_xyz": [ 0.377, 9.266, -1.013 ], "form": ".", "ssZp": 2.130, "Dp": 2.115, "splay_angle": 19.784, "splay_distance": 3.364, "splay_ratio": 0.174, "d22": null, "d64": null, "eta": 170.599, "theta": -140.607, "eta_prime": -169.698, "theta_prime": -154.708, "eta_base": -115.389, "theta_base": -125.444, "v0": -14.409, "v1": 29.515, "v2": -32.536, "v3": 25.030, "v4": -6.867, "amplitude": 32.770, "phase_angle": 173.151, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.038, "frame": { "rmsd": 0.008, "origin": [ 16.667, 24.962, 16.824 ], "x_axis": [ -0.814, 0.364, -0.453 ], "y_axis": [ 0.501, 0.046, -0.864 ], "z_axis": [ -0.294, -0.930, -0.219 ], "quaternion": [ 0.055, 0.300, 0.721, -0.622 ] } }, { "index": 22, "index_chain": 6, "chain_name": "P", "nt_resnum": 6, "nt_name": "DT", "nt_code": "T", "nt_id": "///P/6", "linked_nts": [ "///P/5", "///P/7" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -62.000, "beta": -179.590, "gamma": 57.946, "delta": 134.905, "epsilon": -173.497, "zeta": -106.522, "epsilon_zeta": -66.975, "bb_type": "BI", "chi": -114.426, "glyco_bond": "anti", "C5prime_xyz": [ -2.590, 8.426, -1.688 ], "P_xyz": [ -0.418, 9.810, -1.528 ], "form": "B", "ssZp": 2.165, "Dp": 2.246, "splay_angle": 19.770, "splay_distance": 3.371, "splay_ratio": 0.175, "d22": null, "d64": null, "eta": 173.540, "theta": -143.986, "eta_prime": -162.834, "theta_prime": -156.321, "eta_base": -127.024, "theta_base": -115.153, "v0": -33.546, "v1": 40.810, "v2": -32.331, "v3": 14.250, "v4": 11.743, "amplitude": 39.879, "phase_angle": 144.169, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.102, "frame": { "rmsd": 0.010, "origin": [ 15.306, 21.887, 16.914 ], "x_axis": [ -0.493, 0.275, -0.826 ], "y_axis": [ 0.818, -0.178, -0.547 ], "z_axis": [ -0.297, -0.945, -0.137 ], "quaternion": [ -0.219, -0.453, -0.603, 0.619 ] } }, { "index": 23, "index_chain": 7, "chain_name": "P", "nt_resnum": 7, "nt_name": "DG", "nt_code": "G", "nt_id": "///P/7", "linked_nts": [ "///P/6", "///P/8" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -61.543, "beta": -178.740, "gamma": 46.409, "delta": 133.619, "epsilon": -167.916, "zeta": -96.165, "epsilon_zeta": -71.751, "bb_type": "BI", "chi": -108.910, "glyco_bond": "anti", "C5prime_xyz": [ -2.352, 8.366, -1.929 ], "P_xyz": [ -0.246, 9.825, -1.648 ], "form": ".", "ssZp": 1.839, "Dp": 2.046, "splay_angle": 18.063, "splay_distance": 3.259, "splay_ratio": 0.162, "d22": null, "d64": null, "eta": 170.954, "theta": -134.114, "eta_prime": -168.536, "theta_prime": -149.244, "eta_base": -121.919, "theta_base": -108.255, "v0": -27.611, "v1": 36.003, "v2": -30.773, "v3": 15.633, "v4": 7.324, "amplitude": 35.635, "phase_angle": 149.717, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.009, "frame": { "rmsd": 0.009, "origin": [ 13.597, 19.099, 16.095 ], "x_axis": [ 0.138, 0.221, -0.965 ], "y_axis": [ 0.933, -0.356, 0.052 ], "z_axis": [ -0.333, -0.908, -0.255 ], "quaternion": [ 0.363, 0.661, 0.436, -0.491 ] } }, { "index": 24, "index_chain": 8, "chain_name": "P", "nt_resnum": 8, "nt_name": "DC", "nt_code": "C", "nt_id": "///P/8", "linked_nts": [ "///P/7", "///P/9" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -61.066, "beta": 169.826, "gamma": 41.686, "delta": 99.266, "epsilon": 172.745, "zeta": -85.198, "epsilon_zeta": -102.057, "bb_type": "BI", "chi": -122.789, "glyco_bond": "anti", "C5prime_xyz": [ -2.961, 8.454, -1.807 ], "P_xyz": [ -1.110, 10.173, -2.252 ], "form": "B", "ssZp": 2.715, "Dp": 2.861, "splay_angle": 19.985, "splay_distance": 3.397, "splay_ratio": 0.174, "d22": null, "d64": null, "eta": 161.757, "theta": -166.593, "eta_prime": 179.520, "theta_prime": -166.357, "eta_base": -131.424, "theta_base": -118.706, "v0": -41.577, "v1": 25.796, "v2": -2.095, "v3": -21.483, "v4": 39.867, "amplitude": 41.877, "phase_angle": 92.867, "puckering": "O4'-endo", "sugar_class": "--", "bin": "23p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.062, "frame": { "rmsd": 0.006, "origin": [ 12.423, 16.652, 14.290 ], "x_axis": [ 0.634, 0.049, -0.772 ], "y_axis": [ 0.684, -0.501, 0.530 ], "z_axis": [ -0.361, -0.864, -0.351 ], "quaternion": [ 0.442, 0.788, 0.232, -0.359 ] } }, { "index": 25, "index_chain": 9, "chain_name": "P", "nt_resnum": 9, "nt_name": "DG", "nt_code": "G", "nt_id": "///P/9", "linked_nts": [ "///P/8", "///P/10" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -48.714, "beta": 178.210, "gamma": 43.490, "delta": 130.280, "epsilon": -176.659, "zeta": -97.199, "epsilon_zeta": -79.460, "bb_type": "BI", "chi": -112.830, "glyco_bond": "anti", "C5prime_xyz": [ -2.189, 8.426, -1.778 ], "P_xyz": [ 0.131, 9.638, -1.670 ], "form": "B", "ssZp": 2.413, "Dp": 2.437, "splay_angle": 21.549, "splay_distance": 3.650, "splay_ratio": 0.187, "d22": null, "d64": null, "eta": 172.493, "theta": -150.380, "eta_prime": -163.663, "theta_prime": -164.624, "eta_base": -111.926, "theta_base": -128.761, "v0": -26.475, "v1": 31.451, "v2": -24.680, "v3": 10.167, "v4": 10.099, "amplitude": 31.025, "phase_angle": 142.703, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "32p", "cluster": "1b", "suiteness": 0.021, "filter_rmsd": 0.010, "frame": { "rmsd": 0.010, "origin": [ 12.258, 13.804, 12.447 ], "x_axis": [ 0.945, -0.193, -0.266 ], "y_axis": [ 0.125, -0.537, 0.834 ], "z_axis": [ -0.304, -0.821, -0.483 ], "quaternion": [ 0.481, 0.861, -0.020, -0.165 ] } }, { "index": 26, "index_chain": 10, "chain_name": "P", "nt_resnum": 10, "nt_name": "DOC", "nt_code": "c", "is_modified": true, "nt_id": "///P/10", "linked_nts": [ "///P/9", null ], "nt_type": "DNA", "dbn": ")", "summary": "modified,anti,~C2'-endo,canonical,non-pair-contact,helix,stem-end,phosphate", "alpha": -109.534, "beta": 145.744, "gamma": 121.458, "delta": null, "epsilon": null, "zeta": null, "epsilon_zeta": null, "bb_type": "--", "chi": -153.977, "glyco_bond": "anti", "C5prime_xyz": [ -1.933, 8.931, 0.237 ], "P_xyz": [ 0.306, 9.827, -0.710 ], "form": "-", "ssZp": null, "Dp": null, "splay_angle": null, "splay_distance": null, "splay_ratio": null, "d22": null, "d64": null, "eta": null, "theta": null, "eta_prime": null, "theta_prime": null, "eta_base": null, "theta_base": null, "v0": -28.690, "v1": 33.366, "v2": -25.356, "v3": 9.699, "v4": 11.682, "amplitude": 32.800, "phase_angle": 140.627, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "inc", "cluster": "__", "suiteness": 0.000, "filter_rmsd": 0.064, "frame": { "rmsd": 0.004, "origin": [ 11.175, 11.080, 10.272 ], "x_axis": [ 0.876, -0.429, 0.221 ], "y_axis": [ -0.374, -0.314, 0.873 ], "z_axis": [ -0.305, -0.847, -0.436 ], "quaternion": [ 0.531, 0.810, -0.248, -0.026 ] } }, { "index": 27, "index_chain": 1, "chain_name": "D", "nt_resnum": 1, "nt_name": "DG", "nt_code": "G", "nt_id": "///D/1", "linked_nts": [ null, "///D/2" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix-end,stem-end,phosphate", "alpha": null, "beta": -144.284, "gamma": 47.798, "delta": 140.193, "epsilon": 171.859, "zeta": -94.868, "epsilon_zeta": -93.272, "bb_type": "BI", "chi": -108.822, "glyco_bond": "anti", "C5prime_xyz": [ -1.641, 8.242, -1.751 ], "P_xyz": [ 0.350, 9.496, -0.646 ], "form": "B", "ssZp": 1.784, "Dp": 1.967, "splay_angle": 21.108, "splay_distance": 3.630, "splay_ratio": 0.185, "d22": null, "d64": null, "eta": null, "theta": -144.444, "eta_prime": null, "theta_prime": -156.890, "eta_base": null, "theta_base": -131.708, "v0": -12.772, "v1": 25.775, "v2": -28.350, "v3": 21.747, "v4": -5.948, "amplitude": 28.569, "phase_angle": 172.911, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "inc", "cluster": "__", "suiteness": 0.000, "filter_rmsd": 0.011, "frame": { "rmsd": 0.011, "origin": [ 25.399, 5.306, 3.191 ], "x_axis": [ 0.680, 0.665, 0.309 ], "y_axis": [ 0.518, -0.734, 0.439 ], "z_axis": [ 0.519, -0.139, -0.844 ], "quaternion": [ 0.160, 0.902, 0.328, 0.229 ] } }, { "index": 28, "index_chain": 2, "chain_name": "D", "nt_resnum": 2, "nt_name": "DT", "nt_code": "T", "nt_id": "///D/2", "linked_nts": [ "///D/1", "///D/3" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -53.637, "beta": -169.064, "gamma": 40.868, "delta": 133.515, "epsilon": -176.004, "zeta": -99.205, "epsilon_zeta": -76.799, "bb_type": "BI", "chi": -110.577, "glyco_bond": "anti", "C5prime_xyz": [ -2.093, 8.333, -1.917 ], "P_xyz": [ -0.146, 9.958, -1.486 ], "form": "B", "ssZp": 1.777, "Dp": 2.005, "splay_angle": 17.926, "splay_distance": 3.037, "splay_ratio": 0.156, "d22": 4.336, "d64": 3.710, "eta": 177.824, "theta": -146.513, "eta_prime": -164.784, "theta_prime": -152.195, "eta_base": -134.847, "theta_base": -102.203, "v0": -26.121, "v1": 34.838, "v2": -30.382, "v3": 16.220, "v4": 5.933, "amplitude": 34.557, "phase_angle": 151.547, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.103, "frame": { "rmsd": 0.008, "origin": [ 25.962, 5.134, -0.390 ], "x_axis": [ 0.887, 0.248, 0.390 ], "y_axis": [ 0.153, -0.954, 0.258 ], "z_axis": [ 0.436, -0.169, -0.884 ], "quaternion": [ 0.111, 0.965, 0.104, 0.214 ] } }, { "index": 29, "index_chain": 3, "chain_name": "D", "nt_resnum": 3, "nt_name": "DC", "nt_code": "C", "nt_id": "///D/3", "linked_nts": [ "///D/2", "///D/4" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BII,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -51.039, "beta": -179.831, "gamma": 35.801, "delta": 142.416, "epsilon": -127.672, "zeta": -166.479, "epsilon_zeta": 38.807, "bb_type": "BII", "chi": -91.359, "glyco_bond": "anti", "C5prime_xyz": [ -2.718, 7.905, -2.439 ], "P_xyz": [ -0.623, 9.429, -2.739 ], "form": ".", "ssZp": 1.405, "Dp": 1.591, "splay_angle": 24.792, "splay_distance": 4.451, "splay_ratio": 0.243, "d22": null, "d64": null, "eta": -178.484, "theta": -174.190, "eta_prime": -157.093, "theta_prime": -171.652, "eta_base": -106.341, "theta_base": -117.299, "v0": -27.176, "v1": 39.538, "v2": -36.260, "v3": 21.697, "v4": 3.072, "amplitude": 39.484, "phase_angle": 156.688, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.060, "frame": { "rmsd": 0.006, "origin": [ 28.022, 4.636, -2.567 ], "x_axis": [ 0.840, -0.387, 0.381 ], "y_axis": [ -0.340, -0.922, -0.185 ], "z_axis": [ 0.423, 0.026, -0.906 ], "quaternion": [ -0.055, 0.958, -0.190, 0.210 ] } }, { "index": 30, "index_chain": 4, "chain_name": "D", "nt_resnum": 4, "nt_name": "DG", "nt_code": "G", "nt_id": "///D/4", "linked_nts": [ "///D/3", "///D/5" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -57.864, "beta": 145.289, "gamma": 50.553, "delta": 140.458, "epsilon": -168.082, "zeta": -100.194, "epsilon_zeta": -67.888, "bb_type": "BI", "chi": -92.188, "glyco_bond": "anti", "C5prime_xyz": [ -2.018, 7.734, -2.470 ], "P_xyz": [ 0.564, 7.643, -2.642 ], "form": "B", "ssZp": 1.484, "Dp": 1.968, "splay_angle": 17.904, "splay_distance": 3.100, "splay_ratio": 0.156, "d22": null, "d64": null, "eta": 169.889, "theta": -119.038, "eta_prime": -162.186, "theta_prime": -147.851, "eta_base": -113.400, "theta_base": -115.968, "v0": -11.875, "v1": 25.358, "v2": -28.505, "v3": 22.547, "v4": -6.978, "amplitude": 28.615, "phase_angle": 174.979, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "4b", "suiteness": 0.301, "filter_rmsd": 0.005, "frame": { "rmsd": 0.005, "origin": [ 28.217, 2.734, -6.586 ], "x_axis": [ 0.390, -0.905, 0.172 ], "y_axis": [ -0.793, -0.425, -0.437 ], "z_axis": [ 0.468, 0.034, -0.883 ], "quaternion": [ -0.143, 0.821, -0.517, 0.195 ] } }, { "index": 31, "index_chain": 5, "chain_name": "D", "nt_resnum": 5, "nt_name": "DG", "nt_code": "G", "nt_id": "///D/5", "linked_nts": [ "///D/4", null ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,canonical,non-pair-contact,helix-end,stem-end", "alpha": -62.610, "beta": 168.837, "gamma": 46.360, "delta": 129.596, "epsilon": null, "zeta": null, "epsilon_zeta": null, "bb_type": "--", "chi": -93.452, "glyco_bond": "anti", "C5prime_xyz": [ -3.155, 7.836, -2.424 ], "P_xyz": [ -1.083, 9.126, -3.297 ], "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": -34.918, "v1": 39.415, "v2": -28.730, "v3": 9.712, "v4": 15.466, "amplitude": 38.762, "phase_angle": 137.832, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.007, "frame": { "rmsd": 0.007, "origin": [ 29.284, 2.182, -9.443 ], "x_axis": [ -0.068, -0.995, 0.070 ], "y_axis": [ -0.790, 0.011, -0.613 ], "z_axis": [ 0.609, -0.097, -0.787 ], "quaternion": [ 0.197, -0.654, 0.683, -0.260 ] } }, { "index": 32, "index_chain": 1, "chain_name": "A", "nt_resnum": 401, "nt_name": "FCJ", "nt_code": "a", "is_modified": true, "nt_id": "///A/401", "linked_nts": [ null, null ], "nt_type": "DNA", "dbn": ".", "summary": "modified,anti,~C3'-endo,isolated-canonical,non-pair-contact,helix-end", "alpha": null, "beta": null, "gamma": 62.418, "delta": 84.720, "epsilon": null, "zeta": null, "epsilon_zeta": null, "bb_type": "--", "chi": -152.778, "glyco_bond": "anti", "C5prime_xyz": [ -1.210, 8.891, -0.044 ], "P_xyz": [ null, null, null ], "form": "-", "ssZp": null, "Dp": null, "splay_angle": null, "splay_distance": null, "splay_ratio": null, "d22": null, "d64": null, "eta": null, "theta": null, "eta_prime": null, "theta_prime": null, "eta_base": null, "theta_base": null, "v0": -2.393, "v1": -19.993, "v2": 33.826, "v3": -35.975, "v4": 23.957, "amplitude": 36.516, "phase_angle": 22.128, "puckering": "C3'-endo", "sugar_class": "~C3'-endo", "bin": "inc", "cluster": "__", "suiteness": 0.000, "filter_rmsd": 0.056, "frame": { "rmsd": 0.032, "origin": [ 10.667, 8.612, 8.365 ], "x_axis": [ 0.688, -0.131, 0.714 ], "y_axis": [ -0.720, -0.255, 0.646 ], "z_axis": [ 0.097, -0.958, -0.269 ], "quaternion": [ 0.539, 0.744, -0.286, 0.273 ] } } ], "num_hbonds": 406, "hbonds": [ { "index": 1, "atom1_serNum": 11, "atom2_serNum": 629, "donAcc_type": "standard", "distance": 2.815, "atom1_id": "///T/1/O2", "atom2_id": "///D/5/N2", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 2, "atom1_serNum": 12, "atom2_serNum": 627, "donAcc_type": "standard", "distance": 2.806, "atom1_id": "///T/1/N3", "atom2_id": "///D/5/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 3, "atom1_serNum": 14, "atom2_serNum": 604, "donAcc_type": "standard", "distance": 2.858, "atom1_id": "///T/1/N4", "atom2_id": "///D/4/O6", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 4, "atom1_serNum": 14, "atom2_serNum": 626, "donAcc_type": "standard", "distance": 2.728, "atom1_id": "///T/1/N4", "atom2_id": "///D/5/O6", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 5, "atom1_serNum": 30, "atom2_serNum": 607, "donAcc_type": "standard", "distance": 2.585, "atom1_id": "///T/2/O2", "atom2_id": "///D/4/N2", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 6, "atom1_serNum": 31, "atom2_serNum": 605, "donAcc_type": "standard", "distance": 2.860, "atom1_id": "///T/2/N3", "atom2_id": "///D/4/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 7, "atom1_serNum": 33, "atom2_serNum": 604, "donAcc_type": "standard", "distance": 3.016, "atom1_id": "///T/2/N4", "atom2_id": "///D/4/O6", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 8, "atom1_serNum": 52, "atom2_serNum": 585, "donAcc_type": "standard", "distance": 3.175, "atom1_id": "///T/3/O6", "atom2_id": "///D/3/N4", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 9, "atom1_serNum": 53, "atom2_serNum": 583, "donAcc_type": "standard", "distance": 3.041, "atom1_id": "///T/3/N1", "atom2_id": "///D/3/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 10, "atom1_serNum": 55, "atom2_serNum": 582, "donAcc_type": "standard", "distance": 2.825, "atom1_id": "///T/3/N2", "atom2_id": "///D/3/O2", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 11, "atom1_serNum": 74, "atom2_serNum": 565, "donAcc_type": "standard", "distance": 2.873, "atom1_id": "///T/4/N6", "atom2_id": "///D/2/O4", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 12, "atom1_serNum": 75, "atom2_serNum": 563, "donAcc_type": "standard", "distance": 2.914, "atom1_id": "///T/4/N1", "atom2_id": "///D/2/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 13, "atom1_serNum": 92, "atom2_serNum": 546, "donAcc_type": "standard", "distance": 2.832, "atom1_id": "///T/5/O2", "atom2_id": "///D/1/N2", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 14, "atom1_serNum": 93, "atom2_serNum": 544, "donAcc_type": "standard", "distance": 2.986, "atom1_id": "///T/5/N3", "atom2_id": "///D/1/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 15, "atom1_serNum": 95, "atom2_serNum": 543, "donAcc_type": "standard", "distance": 3.019, "atom1_id": "///T/5/N4", "atom2_id": "///D/1/O6", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 16, "atom1_serNum": 100, "atom2_serNum": 2795, "donAcc_type": "standard", "distance": 2.827, "atom1_id": "///T/6/OP2", "atom2_id": "///A/280/NZ", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 17, "atom1_serNum": 111, "atom2_serNum": 2821, "donAcc_type": "standard", "distance": 2.983, "atom1_id": "///T/6/O2", "atom2_id": "///A/283/NH1", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 18, "atom1_serNum": 112, "atom2_serNum": 3270, "donAcc_type": "standard", "distance": 2.738, "atom1_id": "///T/6/N3", "atom2_id": "///A/401/N1", "atom_pair": "N:N", "residue_pair": "nt:ligand" }, { "index": 19, "atom1_serNum": 114, "atom2_serNum": 3272, "donAcc_type": "standard", "distance": 2.924, "atom1_id": "///T/6/O4", "atom2_id": "///A/401/N6", "atom_pair": "O:N", "residue_pair": "nt:ligand" }, { "index": 20, "atom1_serNum": 119, "atom2_serNum": 2889, "donAcc_type": "acceptable", "distance": 2.722, "atom1_id": "///T/7/OP1", "atom2_id": "///A/292/OG1", "atom_pair": "O:O", "residue_pair": "nt:aa" }, { "index": 21, "atom1_serNum": 124, "atom2_serNum": 2821, "donAcc_type": "standard", "distance": 3.127, "atom1_id": "///T/7/O4'", "atom2_id": "///A/283/NH1", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 22, "atom1_serNum": 134, "atom2_serNum": 514, "donAcc_type": "standard", "distance": 2.920, "atom1_id": "///T/7/O6", "atom2_id": "///P/10/N4", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 23, "atom1_serNum": 135, "atom2_serNum": 509, "donAcc_type": "standard", "distance": 2.871, "atom1_id": "///T/7/N1", "atom2_id": "///P/10/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 24, "atom1_serNum": 137, "atom2_serNum": 513, "donAcc_type": "standard", "distance": 2.719, "atom1_id": "///T/7/N2", "atom2_id": "///P/10/O2", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 25, "atom1_serNum": 141, "atom2_serNum": 2906, "donAcc_type": "standard", "distance": 2.856, "atom1_id": "///T/8/OP1", "atom2_id": "///A/294/ND2", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 26, "atom1_serNum": 153, "atom2_serNum": 504, "donAcc_type": "standard", "distance": 2.646, "atom1_id": "///T/8/O2", "atom2_id": "///P/9/N2", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 27, "atom1_serNum": 154, "atom2_serNum": 502, "donAcc_type": "standard", "distance": 2.847, "atom1_id": "///T/8/N3", "atom2_id": "///P/9/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 28, "atom1_serNum": 156, "atom2_serNum": 501, "donAcc_type": "standard", "distance": 2.962, "atom1_id": "///T/8/N4", "atom2_id": "///P/9/O6", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 29, "atom1_serNum": 160, "atom2_serNum": 2927, "donAcc_type": "acceptable", "distance": 2.524, "atom1_id": "///T/9/OP1", "atom2_id": "///A/296/OH", "atom_pair": "O:O", "residue_pair": "nt:aa" }, { "index": 30, "atom1_serNum": 167, "atom2_serNum": 2399, "donAcc_type": "acceptable", "distance": 3.507, "atom1_id": "///T/9/O3'", "atom2_id": "///A/233/OG1", "atom_pair": "O:O", "residue_pair": "nt:aa" }, { "index": 31, "atom1_serNum": 175, "atom2_serNum": 482, "donAcc_type": "standard", "distance": 2.849, "atom1_id": "///T/9/O6", "atom2_id": "///P/8/N4", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 32, "atom1_serNum": 176, "atom2_serNum": 480, "donAcc_type": "standard", "distance": 2.829, "atom1_id": "///T/9/N1", "atom2_id": "///P/8/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 33, "atom1_serNum": 178, "atom2_serNum": 479, "donAcc_type": "standard", "distance": 2.698, "atom1_id": "///T/9/N2", "atom2_id": "///P/8/O2", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 34, "atom1_serNum": 182, "atom2_serNum": 2394, "donAcc_type": "standard", "distance": 2.963, "atom1_id": "///T/10/OP1", "atom2_id": "///A/233/N", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 35, "atom1_serNum": 182, "atom2_serNum": 2401, "donAcc_type": "standard", "distance": 2.889, "atom1_id": "///T/10/OP1", "atom2_id": "///A/234/N", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 36, "atom1_serNum": 194, "atom2_serNum": 463, "donAcc_type": "standard", "distance": 2.794, "atom1_id": "///T/10/O2", "atom2_id": "///P/7/N2", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 37, "atom1_serNum": 195, "atom2_serNum": 461, "donAcc_type": "standard", "distance": 2.809, "atom1_id": "///T/10/N3", "atom2_id": "///P/7/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 38, "atom1_serNum": 197, "atom2_serNum": 460, "donAcc_type": "standard", "distance": 2.773, "atom1_id": "///T/10/N4", "atom2_id": "///P/7/O6", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 39, "atom1_serNum": 201, "atom2_serNum": 2372, "donAcc_type": "standard", "distance": 2.976, "atom1_id": "///T/11/OP1", "atom2_id": "///A/230/N", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 40, "atom1_serNum": 216, "atom2_serNum": 440, "donAcc_type": "standard", "distance": 3.230, "atom1_id": "///T/11/N6", "atom2_id": "///P/6/O4", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 41, "atom1_serNum": 217, "atom2_serNum": 438, "donAcc_type": "standard", "distance": 2.903, "atom1_id": "///T/11/N1", "atom2_id": "///P/6/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 42, "atom1_serNum": 235, "atom2_serNum": 420, "donAcc_type": "standard", "distance": 2.894, "atom1_id": "///T/12/N3", "atom2_id": "///P/5/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 43, "atom1_serNum": 237, "atom2_serNum": 419, "donAcc_type": "standard", "distance": 3.106, "atom1_id": "///T/12/O4", "atom2_id": "///P/5/N6", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 44, "atom1_serNum": 254, "atom2_serNum": 400, "donAcc_type": "standard", "distance": 2.927, "atom1_id": "///T/13/O2", "atom2_id": "///P/4/N2", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 45, "atom1_serNum": 255, "atom2_serNum": 398, "donAcc_type": "standard", "distance": 2.882, "atom1_id": "///T/13/N3", "atom2_id": "///P/4/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 46, "atom1_serNum": 257, "atom2_serNum": 397, "donAcc_type": "standard", "distance": 2.777, "atom1_id": "///T/13/N4", "atom2_id": "///P/4/O6", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 47, "atom1_serNum": 276, "atom2_serNum": 377, "donAcc_type": "standard", "distance": 3.073, "atom1_id": "///T/14/N6", "atom2_id": "///P/3/O4", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 48, "atom1_serNum": 277, "atom2_serNum": 375, "donAcc_type": "standard", "distance": 2.802, "atom1_id": "///T/14/N1", "atom2_id": "///P/3/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 49, "atom1_serNum": 297, "atom2_serNum": 358, "donAcc_type": "standard", "distance": 2.863, "atom1_id": "///T/15/O6", "atom2_id": "///P/2/N4", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 50, "atom1_serNum": 298, "atom2_serNum": 356, "donAcc_type": "standard", "distance": 2.718, "atom1_id": "///T/15/N1", "atom2_id": "///P/2/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 51, "atom1_serNum": 300, "atom2_serNum": 355, "donAcc_type": "standard", "distance": 2.606, "atom1_id": "///T/15/N2", "atom2_id": "///P/2/O2", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 52, "atom1_serNum": 316, "atom2_serNum": 339, "donAcc_type": "standard", "distance": 2.728, "atom1_id": "///T/16/O2", "atom2_id": "///P/1/N2", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 53, "atom1_serNum": 317, "atom2_serNum": 337, "donAcc_type": "standard", "distance": 2.893, "atom1_id": "///T/16/N3", "atom2_id": "///P/1/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 54, "atom1_serNum": 319, "atom2_serNum": 336, "donAcc_type": "standard", "distance": 3.026, "atom1_id": "///T/16/N4", "atom2_id": "///P/1/O6", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 55, "atom1_serNum": 467, "atom2_serNum": 1382, "donAcc_type": "standard", "distance": 3.054, "atom1_id": "///P/8/OP1", "atom2_id": "///A/107/N", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 56, "atom1_serNum": 467, "atom2_serNum": 1399, "donAcc_type": "standard", "distance": 2.894, "atom1_id": "///P/8/OP1", "atom2_id": "///A/110/N", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 57, "atom1_serNum": 468, "atom2_serNum": 1393, "donAcc_type": "standard", "distance": 2.983, "atom1_id": "///P/8/OP2", "atom2_id": "///A/109/N", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 58, "atom1_serNum": 486, "atom2_serNum": 1370, "donAcc_type": "standard", "distance": 2.719, "atom1_id": "///P/9/OP1", "atom2_id": "///A/105/N", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 59, "atom1_serNum": 513, "atom2_serNum": 2723, "donAcc_type": "acceptable", "distance": 3.208, "atom1_id": "///P/10/O2", "atom2_id": "///A/271/OH", "atom_pair": "O:O", "residue_pair": "nt:aa" }, { "index": 60, "atom1_serNum": 523, "atom2_serNum": 2575, "donAcc_type": "standard", "distance": 3.039, "atom1_id": "///P/10/OP1", "atom2_id": "///A/254/NE", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 61, "atom1_serNum": 523, "atom2_serNum": 2578, "donAcc_type": "standard", "distance": 2.307, "atom1_id": "///P/10/OP1", "atom2_id": "///A/254/NH2", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 62, "atom1_serNum": 526, "atom2_serNum": 830, "donAcc_type": "acceptable", "distance": 2.468, "atom1_id": "///D/1/OP3", "atom2_id": "///A/35/NZ", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 63, "atom1_serNum": 528, "atom2_serNum": 1080, "donAcc_type": "standard", "distance": 2.726, "atom1_id": "///D/1/OP1", "atom2_id": "///A/68/NZ", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 64, "atom1_serNum": 550, "atom2_serNum": 1061, "donAcc_type": "standard", "distance": 2.840, "atom1_id": "///D/2/OP1", "atom2_id": "///A/66/N", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 65, "atom1_serNum": 550, "atom2_serNum": 1081, "donAcc_type": "standard", "distance": 2.997, "atom1_id": "///D/2/OP1", "atom2_id": "///A/69/N", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 66, "atom1_serNum": 551, "atom2_serNum": 1072, "donAcc_type": "standard", "distance": 3.136, "atom1_id": "///D/2/OP2", "atom2_id": "///A/68/N", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 67, "atom1_serNum": 570, "atom2_serNum": 1050, "donAcc_type": "standard", "distance": 2.702, "atom1_id": "///D/3/OP1", "atom2_id": "///A/64/N", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 68, "atom1_serNum": 636, "atom2_serNum": 656, "donAcc_type": "standard", "distance": 3.532, "atom1_id": "///A/10/O", "atom2_id": "///A/13/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 69, "atom1_serNum": 643, "atom2_serNum": 970, "donAcc_type": "standard", "distance": 2.347, "atom1_id": "///A/11/O", "atom2_id": "///A/52/NZ", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 70, "atom1_serNum": 651, "atom2_serNum": 672, "donAcc_type": "standard", "distance": 2.954, "atom1_id": "///A/12/O", "atom2_id": "///A/16/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 71, "atom1_serNum": 654, "atom2_serNum": 971, "donAcc_type": "standard", "distance": 2.446, "atom1_id": "///A/12/OD1", "atom2_id": "///A/53/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 72, "atom1_serNum": 655, "atom2_serNum": 955, "donAcc_type": "standard", "distance": 3.039, "atom1_id": "///A/12/ND2", "atom2_id": "///A/51/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 73, "atom1_serNum": 659, "atom2_serNum": 677, "donAcc_type": "acceptable", "distance": 3.248, "atom1_id": "///A/13/O", "atom2_id": "///A/16/OG1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 74, "atom1_serNum": 659, "atom2_serNum": 679, "donAcc_type": "standard", "distance": 2.923, "atom1_id": "///A/13/O", "atom2_id": "///A/17/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 75, "atom1_serNum": 663, "atom2_serNum": 687, "donAcc_type": "standard", "distance": 3.107, "atom1_id": "///A/14/O", "atom2_id": "///A/18/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 76, "atom1_serNum": 667, "atom2_serNum": 695, "donAcc_type": "standard", "distance": 3.021, "atom1_id": "///A/15/O", "atom2_id": "///A/19/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 77, "atom1_serNum": 675, "atom2_serNum": 703, "donAcc_type": "standard", "distance": 2.888, "atom1_id": "///A/16/O", "atom2_id": "///A/20/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 78, "atom1_serNum": 675, "atom2_serNum": 708, "donAcc_type": "acceptable", "distance": 2.845, "atom1_id": "///A/16/O", "atom2_id": "///A/20/OG1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 79, "atom1_serNum": 682, "atom2_serNum": 710, "donAcc_type": "standard", "distance": 2.881, "atom1_id": "///A/17/O", "atom2_id": "///A/21/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 80, "atom1_serNum": 690, "atom2_serNum": 719, "donAcc_type": "standard", "distance": 2.970, "atom1_id": "///A/18/O", "atom2_id": "///A/22/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 81, "atom1_serNum": 698, "atom2_serNum": 727, "donAcc_type": "standard", "distance": 2.863, "atom1_id": "///A/19/O", "atom2_id": "///A/23/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 82, "atom1_serNum": 706, "atom2_serNum": 732, "donAcc_type": "standard", "distance": 2.891, "atom1_id": "///A/20/O", "atom2_id": "///A/24/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 83, "atom1_serNum": 713, "atom2_serNum": 740, "donAcc_type": "standard", "distance": 3.041, "atom1_id": "///A/21/O", "atom2_id": "///A/25/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 84, "atom1_serNum": 717, "atom2_serNum": 1253, "donAcc_type": "standard", "distance": 2.875, "atom1_id": "///A/21/OE1", "atom2_id": "///A/89/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 85, "atom1_serNum": 718, "atom2_serNum": 1250, "donAcc_type": "standard", "distance": 3.110, "atom1_id": "///A/21/OE2", "atom2_id": "///A/89/NE", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 86, "atom1_serNum": 722, "atom2_serNum": 751, "donAcc_type": "standard", "distance": 2.978, "atom1_id": "///A/22/O", "atom2_id": "///A/26/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 87, "atom1_serNum": 730, "atom2_serNum": 760, "donAcc_type": "standard", "distance": 2.919, "atom1_id": "///A/23/O", "atom2_id": "///A/27/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 88, "atom1_serNum": 735, "atom2_serNum": 769, "donAcc_type": "standard", "distance": 2.804, "atom1_id": "///A/24/O", "atom2_id": "///A/28/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 89, "atom1_serNum": 743, "atom2_serNum": 777, "donAcc_type": "standard", "distance": 2.900, "atom1_id": "///A/25/O", "atom2_id": "///A/29/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 90, "atom1_serNum": 743, "atom2_serNum": 784, "donAcc_type": "standard", "distance": 3.301, "atom1_id": "///A/25/O", "atom2_id": "///A/30/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 91, "atom1_serNum": 754, "atom2_serNum": 790, "donAcc_type": "standard", "distance": 2.737, "atom1_id": "///A/26/O", "atom2_id": "///A/31/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 92, "atom1_serNum": 754, "atom2_serNum": 799, "donAcc_type": "standard", "distance": 2.827, "atom1_id": "///A/26/O", "atom2_id": "///A/32/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 93, "atom1_serNum": 758, "atom2_serNum": 789, "donAcc_type": "acceptable", "distance": 2.987, "atom1_id": "///A/26/OE1", "atom2_id": "///A/30/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 94, "atom1_serNum": 776, "atom2_serNum": 1318, "donAcc_type": "standard", "distance": 2.790, "atom1_id": "///A/28/ND2", "atom2_id": "///A/98/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 95, "atom1_serNum": 780, "atom2_serNum": 1419, "donAcc_type": "standard", "distance": 2.792, "atom1_id": "///A/29/O", "atom2_id": "///A/112/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 96, "atom1_serNum": 797, "atom2_serNum": 1416, "donAcc_type": "standard", "distance": 3.966, "atom1_id": "///A/31/OE1", "atom2_id": "///A/112/NE", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 97, "atom1_serNum": 802, "atom2_serNum": 831, "donAcc_type": "standard", "distance": 3.050, "atom1_id": "///A/32/O", "atom2_id": "///A/36/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 98, "atom1_serNum": 807, "atom2_serNum": 843, "donAcc_type": "standard", "distance": 2.959, "atom1_id": "///A/33/O", "atom2_id": "///A/37/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 99, "atom1_serNum": 807, "atom2_serNum": 849, "donAcc_type": "questionable", "distance": 2.804, "atom1_id": "///A/33/O", "atom2_id": "///A/37/OD1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 100, "atom1_serNum": 815, "atom2_serNum": 851, "donAcc_type": "standard", "distance": 2.733, "atom1_id": "///A/34/O", "atom2_id": "///A/38/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 101, "atom1_serNum": 825, "atom2_serNum": 856, "donAcc_type": "standard", "distance": 2.885, "atom1_id": "///A/35/O", "atom2_id": "///A/39/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 102, "atom1_serNum": 834, "atom2_serNum": 868, "donAcc_type": "standard", "distance": 3.111, "atom1_id": "///A/36/O", "atom2_id": "///A/40/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 103, "atom1_serNum": 842, "atom2_serNum": 877, "donAcc_type": "acceptable", "distance": 3.279, "atom1_id": "///A/36/OH", "atom2_id": "///A/40/NH1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 104, "atom1_serNum": 843, "atom2_serNum": 849, "donAcc_type": "standard", "distance": 2.743, "atom1_id": "///A/37/N", "atom2_id": "///A/37/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 105, "atom1_serNum": 846, "atom2_serNum": 879, "donAcc_type": "standard", "distance": 2.919, "atom1_id": "///A/37/O", "atom2_id": "///A/41/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 106, "atom1_serNum": 854, "atom2_serNum": 888, "donAcc_type": "standard", "distance": 3.057, "atom1_id": "///A/38/O", "atom2_id": "///A/42/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 107, "atom1_serNum": 859, "atom2_serNum": 893, "donAcc_type": "standard", "distance": 2.871, "atom1_id": "///A/39/O", "atom2_id": "///A/43/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 108, "atom1_serNum": 871, "atom2_serNum": 898, "donAcc_type": "standard", "distance": 2.959, "atom1_id": "///A/40/O", "atom2_id": "///A/44/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 109, "atom1_serNum": 877, "atom2_serNum": 2759, "donAcc_type": "standard", "distance": 2.773, "atom1_id": "///A/40/NH1", "atom2_id": "///A/276/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 110, "atom1_serNum": 878, "atom2_serNum": 2758, "donAcc_type": "standard", "distance": 3.315, "atom1_id": "///A/40/NH2", "atom2_id": "///A/276/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 111, "atom1_serNum": 878, "atom2_serNum": 2759, "donAcc_type": "standard", "distance": 2.991, "atom1_id": "///A/40/NH2", "atom2_id": "///A/276/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 112, "atom1_serNum": 882, "atom2_serNum": 904, "donAcc_type": "standard", "distance": 3.009, "atom1_id": "///A/41/O", "atom2_id": "///A/45/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 113, "atom1_serNum": 891, "atom2_serNum": 911, "donAcc_type": "standard", "distance": 3.055, "atom1_id": "///A/42/O", "atom2_id": "///A/46/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 114, "atom1_serNum": 896, "atom2_serNum": 919, "donAcc_type": "standard", "distance": 2.877, "atom1_id": "///A/43/O", "atom2_id": "///A/47/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 115, "atom1_serNum": 901, "atom2_serNum": 924, "donAcc_type": "standard", "distance": 3.270, "atom1_id": "///A/44/O", "atom2_id": "///A/48/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 116, "atom1_serNum": 903, "atom2_serNum": 3240, "donAcc_type": "acceptable", "distance": 2.335, "atom1_id": "///A/44/OG", "atom2_id": "///A/335/O", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 117, "atom1_serNum": 907, "atom2_serNum": 933, "donAcc_type": "standard", "distance": 3.290, "atom1_id": "///A/45/O", "atom2_id": "///A/49/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 118, "atom1_serNum": 927, "atom2_serNum": 945, "donAcc_type": "standard", "distance": 3.261, "atom1_id": "///A/48/O", "atom2_id": "///A/50/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 119, "atom1_serNum": 936, "atom2_serNum": 952, "donAcc_type": "standard", "distance": 2.988, "atom1_id": "///A/49/O", "atom2_id": "///A/51/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 120, "atom1_serNum": 944, "atom2_serNum": 1011, "donAcc_type": "acceptable", "distance": 2.689, "atom1_id": "///A/49/OH", "atom2_id": "///A/58/OE2", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 121, "atom1_serNum": 955, "atom2_serNum": 971, "donAcc_type": "standard", "distance": 3.149, "atom1_id": "///A/51/O", "atom2_id": "///A/53/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 122, "atom1_serNum": 979, "atom2_serNum": 1010, "donAcc_type": "standard", "distance": 2.971, "atom1_id": "///A/54/N", "atom2_id": "///A/58/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 123, "atom1_serNum": 991, "atom2_serNum": 1012, "donAcc_type": "standard", "distance": 3.240, "atom1_id": "///A/55/O", "atom2_id": "///A/59/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 124, "atom1_serNum": 993, "atom2_serNum": 1003, "donAcc_type": "acceptable", "distance": 3.088, "atom1_id": "///A/55/OG", "atom2_id": "///A/58/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 125, "atom1_serNum": 994, "atom2_serNum": 1126, "donAcc_type": "standard", "distance": 2.817, "atom1_id": "///A/56/N", "atom2_id": "///A/74/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 126, "atom1_serNum": 997, "atom2_serNum": 1017, "donAcc_type": "standard", "distance": 2.797, "atom1_id": "///A/56/O", "atom2_id": "///A/60/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 127, "atom1_serNum": 1001, "atom2_serNum": 1026, "donAcc_type": "standard", "distance": 3.613, "atom1_id": "///A/57/O", "atom2_id": "///A/61/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 128, "atom1_serNum": 1015, "atom2_serNum": 1035, "donAcc_type": "standard", "distance": 2.885, "atom1_id": "///A/59/O", "atom2_id": "///A/62/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 129, "atom1_serNum": 1020, "atom2_serNum": 1057, "donAcc_type": "questionable", "distance": 3.294, "atom1_id": "///A/60/O", "atom2_id": "///A/65/O", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 130, "atom1_serNum": 1025, "atom2_serNum": 1070, "donAcc_type": "acceptable", "distance": 3.500, "atom1_id": "///A/60/NZ", "atom2_id": "///A/67/OG1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 131, "atom1_serNum": 1038, "atom2_serNum": 1054, "donAcc_type": "standard", "distance": 3.233, "atom1_id": "///A/62/O", "atom2_id": "///A/65/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 132, "atom1_serNum": 1064, "atom2_serNum": 1089, "donAcc_type": "standard", "distance": 3.164, "atom1_id": "///A/66/O", "atom2_id": "///A/70/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 133, "atom1_serNum": 1068, "atom2_serNum": 1094, "donAcc_type": "standard", "distance": 2.919, "atom1_id": "///A/67/O", "atom2_id": "///A/71/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 134, "atom1_serNum": 1075, "atom2_serNum": 1103, "donAcc_type": "standard", "distance": 3.067, "atom1_id": "///A/68/O", "atom2_id": "///A/72/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 135, "atom1_serNum": 1084, "atom2_serNum": 1112, "donAcc_type": "standard", "distance": 2.914, "atom1_id": "///A/69/O", "atom2_id": "///A/73/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 136, "atom1_serNum": 1092, "atom2_serNum": 1120, "donAcc_type": "standard", "distance": 3.072, "atom1_id": "///A/70/O", "atom2_id": "///A/74/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 137, "atom1_serNum": 1097, "atom2_serNum": 1128, "donAcc_type": "standard", "distance": 3.094, "atom1_id": "///A/71/O", "atom2_id": "///A/75/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 138, "atom1_serNum": 1106, "atom2_serNum": 1137, "donAcc_type": "standard", "distance": 2.927, "atom1_id": "///A/72/O", "atom2_id": "///A/76/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 139, "atom1_serNum": 1115, "atom2_serNum": 1148, "donAcc_type": "standard", "distance": 2.891, "atom1_id": "///A/73/O", "atom2_id": "///A/77/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 140, "atom1_serNum": 1123, "atom2_serNum": 1156, "donAcc_type": "standard", "distance": 3.002, "atom1_id": "///A/74/O", "atom2_id": "///A/78/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 141, "atom1_serNum": 1131, "atom2_serNum": 1161, "donAcc_type": "standard", "distance": 2.874, "atom1_id": "///A/75/O", "atom2_id": "///A/79/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 142, "atom1_serNum": 1131, "atom2_serNum": 1166, "donAcc_type": "acceptable", "distance": 3.078, "atom1_id": "///A/75/O", "atom2_id": "///A/79/OG1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 143, "atom1_serNum": 1135, "atom2_serNum": 1199, "donAcc_type": "standard", "distance": 3.198, "atom1_id": "///A/75/OE1", "atom2_id": "///A/83/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 144, "atom1_serNum": 1136, "atom2_serNum": 1189, "donAcc_type": "standard", "distance": 2.867, "atom1_id": "///A/75/OE2", "atom2_id": "///A/83/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 145, "atom1_serNum": 1136, "atom2_serNum": 1196, "donAcc_type": "standard", "distance": 3.020, "atom1_id": "///A/75/OE2", "atom2_id": "///A/83/NE", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 146, "atom1_serNum": 1140, "atom2_serNum": 1168, "donAcc_type": "standard", "distance": 2.783, "atom1_id": "///A/76/O", "atom2_id": "///A/80/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 147, "atom1_serNum": 1166, "atom2_serNum": 1175, "donAcc_type": "acceptable", "distance": 3.046, "atom1_id": "///A/79/OG1", "atom2_id": "///A/81/O", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 148, "atom1_serNum": 1184, "atom2_serNum": 1217, "donAcc_type": "standard", "distance": 2.950, "atom1_id": "///A/82/O", "atom2_id": "///A/86/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 149, "atom1_serNum": 1192, "atom2_serNum": 1226, "donAcc_type": "standard", "distance": 2.939, "atom1_id": "///A/83/O", "atom2_id": "///A/87/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 150, "atom1_serNum": 1203, "atom2_serNum": 1235, "donAcc_type": "standard", "distance": 3.113, "atom1_id": "///A/84/O", "atom2_id": "///A/88/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 151, "atom1_serNum": 1212, "atom2_serNum": 1243, "donAcc_type": "standard", "distance": 2.856, "atom1_id": "///A/85/O", "atom2_id": "///A/89/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 152, "atom1_serNum": 1220, "atom2_serNum": 1254, "donAcc_type": "standard", "distance": 3.280, "atom1_id": "///A/86/O", "atom2_id": "///A/90/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 153, "atom1_serNum": 1229, "atom2_serNum": 1254, "donAcc_type": "standard", "distance": 2.915, "atom1_id": "///A/87/O", "atom2_id": "///A/90/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 154, "atom1_serNum": 1229, "atom2_serNum": 1263, "donAcc_type": "standard", "distance": 2.969, "atom1_id": "///A/87/O", "atom2_id": "///A/91/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 155, "atom1_serNum": 1238, "atom2_serNum": 1297, "donAcc_type": "acceptable", "distance": 3.469, "atom1_id": "///A/88/O", "atom2_id": "///A/95/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 156, "atom1_serNum": 1257, "atom2_serNum": 1271, "donAcc_type": "standard", "distance": 3.285, "atom1_id": "///A/90/O", "atom2_id": "///A/92/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 157, "atom1_serNum": 1266, "atom2_serNum": 1292, "donAcc_type": "standard", "distance": 2.995, "atom1_id": "///A/91/O", "atom2_id": "///A/95/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 158, "atom1_serNum": 1266, "atom2_serNum": 1297, "donAcc_type": "acceptable", "distance": 3.114, "atom1_id": "///A/91/O", "atom2_id": "///A/95/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 159, "atom1_serNum": 1270, "atom2_serNum": 1286, "donAcc_type": "standard", "distance": 3.136, "atom1_id": "///A/91/OD2", "atom2_id": "///A/94/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 160, "atom1_serNum": 1270, "atom2_serNum": 1291, "donAcc_type": "acceptable", "distance": 2.708, "atom1_id": "///A/91/OD2", "atom2_id": "///A/94/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 161, "atom1_serNum": 1274, "atom2_serNum": 1298, "donAcc_type": "standard", "distance": 2.898, "atom1_id": "///A/92/O", "atom2_id": "///A/96/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 162, "atom1_serNum": 1274, "atom2_serNum": 1303, "donAcc_type": "acceptable", "distance": 2.939, "atom1_id": "///A/92/O", "atom2_id": "///A/96/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 163, "atom1_serNum": 1282, "atom2_serNum": 1304, "donAcc_type": "standard", "distance": 2.968, "atom1_id": "///A/93/O", "atom2_id": "///A/97/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 164, "atom1_serNum": 1289, "atom2_serNum": 1312, "donAcc_type": "standard", "distance": 2.923, "atom1_id": "///A/94/O", "atom2_id": "///A/98/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 165, "atom1_serNum": 1295, "atom2_serNum": 1320, "donAcc_type": "standard", "distance": 3.034, "atom1_id": "///A/95/O", "atom2_id": "///A/99/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 166, "atom1_serNum": 1301, "atom2_serNum": 1331, "donAcc_type": "standard", "distance": 3.005, "atom1_id": "///A/96/O", "atom2_id": "///A/100/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 167, "atom1_serNum": 1307, "atom2_serNum": 1339, "donAcc_type": "standard", "distance": 3.146, "atom1_id": "///A/97/O", "atom2_id": "///A/101/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 168, "atom1_serNum": 1315, "atom2_serNum": 1344, "donAcc_type": "acceptable", "distance": 2.750, "atom1_id": "///A/98/O", "atom2_id": "///A/101/OG1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 169, "atom1_serNum": 1323, "atom2_serNum": 1346, "donAcc_type": "standard", "distance": 2.863, "atom1_id": "///A/99/O", "atom2_id": "///A/102/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 170, "atom1_serNum": 1334, "atom2_serNum": 1357, "donAcc_type": "standard", "distance": 2.999, "atom1_id": "///A/100/O", "atom2_id": "///A/103/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 171, "atom1_serNum": 1356, "atom2_serNum": 1717, "donAcc_type": "standard", "distance": 2.600, "atom1_id": "///A/102/NH2", "atom2_id": "///A/147/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 172, "atom1_serNum": 1360, "atom2_serNum": 1374, "donAcc_type": "standard", "distance": 2.972, "atom1_id": "///A/103/O", "atom2_id": "///A/106/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 173, "atom1_serNum": 1369, "atom2_serNum": 1614, "donAcc_type": "acceptable", "distance": 2.823, "atom1_id": "///A/104/OG", "atom2_id": "///A/135/NE2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 174, "atom1_serNum": 1373, "atom2_serNum": 1623, "donAcc_type": "standard", "distance": 3.000, "atom1_id": "///A/105/O", "atom2_id": "///A/136/NE2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 175, "atom1_serNum": 1385, "atom2_serNum": 1404, "donAcc_type": "standard", "distance": 2.885, "atom1_id": "///A/107/O", "atom2_id": "///A/111/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 176, "atom1_serNum": 1389, "atom2_serNum": 1409, "donAcc_type": "standard", "distance": 3.182, "atom1_id": "///A/108/O", "atom2_id": "///A/112/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 177, "atom1_serNum": 1396, "atom2_serNum": 1420, "donAcc_type": "standard", "distance": 2.857, "atom1_id": "///A/109/O", "atom2_id": "///A/113/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 178, "atom1_serNum": 1402, "atom2_serNum": 1429, "donAcc_type": "standard", "distance": 2.871, "atom1_id": "///A/110/O", "atom2_id": "///A/114/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 179, "atom1_serNum": 1407, "atom2_serNum": 1440, "donAcc_type": "standard", "distance": 3.010, "atom1_id": "///A/111/O", "atom2_id": "///A/115/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 180, "atom1_serNum": 1412, "atom2_serNum": 1447, "donAcc_type": "standard", "distance": 2.955, "atom1_id": "///A/112/O", "atom2_id": "///A/116/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 181, "atom1_serNum": 1423, "atom2_serNum": 1455, "donAcc_type": "standard", "distance": 3.256, "atom1_id": "///A/113/O", "atom2_id": "///A/117/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 182, "atom1_serNum": 1432, "atom2_serNum": 1455, "donAcc_type": "standard", "distance": 3.019, "atom1_id": "///A/114/O", "atom2_id": "///A/117/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 183, "atom1_serNum": 1432, "atom2_serNum": 1464, "donAcc_type": "standard", "distance": 3.273, "atom1_id": "///A/114/O", "atom2_id": "///A/118/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 184, "atom1_serNum": 1432, "atom2_serNum": 1468, "donAcc_type": "standard", "distance": 2.841, "atom1_id": "///A/114/O", "atom2_id": "///A/119/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 185, "atom1_serNum": 1443, "atom2_serNum": 1464, "donAcc_type": "standard", "distance": 2.800, "atom1_id": "///A/115/O", "atom2_id": "///A/118/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 186, "atom1_serNum": 1443, "atom2_serNum": 1484, "donAcc_type": "standard", "distance": 2.702, "atom1_id": "///A/115/O", "atom2_id": "///A/120/NZ", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 187, "atom1_serNum": 1476, "atom2_serNum": 1516, "donAcc_type": "standard", "distance": 2.798, "atom1_id": "///A/120/N", "atom2_id": "///A/124/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 188, "atom1_serNum": 1485, "atom2_serNum": 1516, "donAcc_type": "standard", "distance": 3.011, "atom1_id": "///A/121/N", "atom2_id": "///A/124/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 189, "atom1_serNum": 1488, "atom2_serNum": 1517, "donAcc_type": "standard", "distance": 3.121, "atom1_id": "///A/121/O", "atom2_id": "///A/125/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 190, "atom1_serNum": 1490, "atom2_serNum": 1509, "donAcc_type": "acceptable", "distance": 2.998, "atom1_id": "///A/121/OG1", "atom2_id": "///A/124/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 191, "atom1_serNum": 1495, "atom2_serNum": 1525, "donAcc_type": "standard", "distance": 3.158, "atom1_id": "///A/122/O", "atom2_id": "///A/126/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 192, "atom1_serNum": 1503, "atom2_serNum": 1536, "donAcc_type": "standard", "distance": 2.895, "atom1_id": "///A/123/O", "atom2_id": "///A/127/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 193, "atom1_serNum": 1512, "atom2_serNum": 1545, "donAcc_type": "standard", "distance": 2.992, "atom1_id": "///A/124/O", "atom2_id": "///A/128/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 194, "atom1_serNum": 1512, "atom2_serNum": 1552, "donAcc_type": "standard", "distance": 3.287, "atom1_id": "///A/124/O", "atom2_id": "///A/128/ND2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 195, "atom1_serNum": 1515, "atom2_serNum": 1544, "donAcc_type": "standard", "distance": 3.310, "atom1_id": "///A/124/OD1", "atom2_id": "///A/127/NZ", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 196, "atom1_serNum": 1520, "atom2_serNum": 1545, "donAcc_type": "standard", "distance": 3.001, "atom1_id": "///A/125/O", "atom2_id": "///A/128/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 197, "atom1_serNum": 1520, "atom2_serNum": 1553, "donAcc_type": "standard", "distance": 3.195, "atom1_id": "///A/125/O", "atom2_id": "///A/129/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 198, "atom1_serNum": 1548, "atom2_serNum": 1570, "donAcc_type": "standard", "distance": 2.874, "atom1_id": "///A/128/O", "atom2_id": "///A/131/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 199, "atom1_serNum": 1556, "atom2_serNum": 1579, "donAcc_type": "standard", "distance": 3.235, "atom1_id": "///A/129/O", "atom2_id": "///A/132/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 200, "atom1_serNum": 1562, "atom2_serNum": 1568, "donAcc_type": "standard", "distance": 2.618, "atom1_id": "///A/130/N", "atom2_id": "///A/130/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 201, "atom1_serNum": 1587, "atom2_serNum": 1622, "donAcc_type": "standard", "distance": 3.086, "atom1_id": "///A/133/N", "atom2_id": "///A/136/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 202, "atom1_serNum": 1590, "atom2_serNum": 1624, "donAcc_type": "standard", "distance": 2.902, "atom1_id": "///A/133/O", "atom2_id": "///A/137/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 203, "atom1_serNum": 1593, "atom2_serNum": 1615, "donAcc_type": "standard", "distance": 2.914, "atom1_id": "///A/133/OD1", "atom2_id": "///A/136/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 204, "atom1_serNum": 1598, "atom2_serNum": 1635, "donAcc_type": "standard", "distance": 3.009, "atom1_id": "///A/134/O", "atom2_id": "///A/138/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 205, "atom1_serNum": 1604, "atom2_serNum": 2354, "donAcc_type": "standard", "distance": 2.710, "atom1_id": "///A/134/NE2", "atom2_id": "///A/227/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 206, "atom1_serNum": 1608, "atom2_serNum": 1643, "donAcc_type": "standard", "distance": 2.848, "atom1_id": "///A/135/O", "atom2_id": "///A/139/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 207, "atom1_serNum": 1618, "atom2_serNum": 1647, "donAcc_type": "standard", "distance": 2.893, "atom1_id": "///A/136/O", "atom2_id": "///A/140/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 208, "atom1_serNum": 1627, "atom2_serNum": 1655, "donAcc_type": "standard", "distance": 2.929, "atom1_id": "///A/137/O", "atom2_id": "///A/141/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 209, "atom1_serNum": 1638, "atom2_serNum": 1664, "donAcc_type": "standard", "distance": 3.025, "atom1_id": "///A/138/O", "atom2_id": "///A/142/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 210, "atom1_serNum": 1650, "atom2_serNum": 1676, "donAcc_type": "standard", "distance": 3.146, "atom1_id": "///A/140/O", "atom2_id": "///A/143/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 211, "atom1_serNum": 1663, "atom2_serNum": 2350, "donAcc_type": "standard", "distance": 3.275, "atom1_id": "///A/141/NZ", "atom2_id": "///A/226/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 212, "atom1_serNum": 1667, "atom2_serNum": 1699, "donAcc_type": "standard", "distance": 2.957, "atom1_id": "///A/142/O", "atom2_id": "///A/146/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 213, "atom1_serNum": 1675, "atom2_serNum": 2349, "donAcc_type": "acceptable", "distance": 2.699, "atom1_id": "///A/142/OH", "atom2_id": "///A/226/OD1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 214, "atom1_serNum": 1690, "atom2_serNum": 1710, "donAcc_type": "standard", "distance": 2.991, "atom1_id": "///A/144/O", "atom2_id": "///A/147/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 215, "atom1_serNum": 1694, "atom2_serNum": 1719, "donAcc_type": "standard", "distance": 2.911, "atom1_id": "///A/145/O", "atom2_id": "///A/148/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 216, "atom1_serNum": 1698, "atom2_serNum": 2547, "donAcc_type": "standard", "distance": 2.819, "atom1_id": "///A/145/OD2", "atom2_id": "///A/252/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 217, "atom1_serNum": 1735, "atom2_serNum": 2039, "donAcc_type": "acceptable", "distance": 2.795, "atom1_id": "///A/149/NE", "atom2_id": "///A/187/OG", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 218, "atom1_serNum": 1737, "atom2_serNum": 3260, "donAcc_type": "acceptable", "distance": 3.607, "atom1_id": "///A/149/NH1", "atom2_id": "///A/401/O2G", "atom_pair": "N:O", "residue_pair": "aa:ligand" }, { "index": 219, "atom1_serNum": 1738, "atom2_serNum": 2037, "donAcc_type": "standard", "distance": 3.011, "atom1_id": "///A/149/NH2", "atom2_id": "///A/187/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 220, "atom1_serNum": 1738, "atom2_serNum": 3261, "donAcc_type": "acceptable", "distance": 2.838, "atom1_id": "///A/149/NH2", "atom2_id": "///A/401/O3G", "atom_pair": "N:O", "residue_pair": "aa:ligand" }, { "index": 221, "atom1_serNum": 1739, "atom2_serNum": 2043, "donAcc_type": "standard", "distance": 2.695, "atom1_id": "///A/150/N", "atom2_id": "///A/188/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 222, "atom1_serNum": 1742, "atom2_serNum": 2040, "donAcc_type": "standard", "distance": 2.874, "atom1_id": "///A/150/O", "atom2_id": "///A/188/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 223, "atom1_serNum": 1750, "atom2_serNum": 1774, "donAcc_type": "standard", "distance": 2.820, "atom1_id": "///A/151/O", "atom2_id": "///A/154/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 224, "atom1_serNum": 1750, "atom2_serNum": 1783, "donAcc_type": "standard", "distance": 3.015, "atom1_id": "///A/151/O", "atom2_id": "///A/155/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 225, "atom1_serNum": 1754, "atom2_serNum": 2028, "donAcc_type": "standard", "distance": 3.079, "atom1_id": "///A/152/N", "atom2_id": "///A/186/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 226, "atom1_serNum": 1757, "atom2_serNum": 1791, "donAcc_type": "standard", "distance": 2.924, "atom1_id": "///A/152/O", "atom2_id": "///A/156/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 227, "atom1_serNum": 1763, "atom2_serNum": 1986, "donAcc_type": "standard", "distance": 3.004, "atom1_id": "///A/152/NH1", "atom2_id": "///A/181/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 228, "atom1_serNum": 1763, "atom2_serNum": 2023, "donAcc_type": "standard", "distance": 2.980, "atom1_id": "///A/152/NH1", "atom2_id": "///A/185/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 229, "atom1_serNum": 1768, "atom2_serNum": 1799, "donAcc_type": "standard", "distance": 3.378, "atom1_id": "///A/153/O", "atom2_id": "///A/157/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 230, "atom1_serNum": 1768, "atom2_serNum": 1807, "donAcc_type": "standard", "distance": 3.220, "atom1_id": "///A/153/O", "atom2_id": "///A/157/NE2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 231, "atom1_serNum": 1777, "atom2_serNum": 1808, "donAcc_type": "standard", "distance": 2.880, "atom1_id": "///A/154/O", "atom2_id": "///A/158/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 232, "atom1_serNum": 1781, "atom2_serNum": 2567, "donAcc_type": "standard", "distance": 2.788, "atom1_id": "///A/154/OE1", "atom2_id": "///A/253/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 233, "atom1_serNum": 1786, "atom2_serNum": 1816, "donAcc_type": "standard", "distance": 2.853, "atom1_id": "///A/155/O", "atom2_id": "///A/159/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 234, "atom1_serNum": 1794, "atom2_serNum": 1825, "donAcc_type": "standard", "distance": 3.126, "atom1_id": "///A/156/O", "atom2_id": "///A/160/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 235, "atom1_serNum": 1802, "atom2_serNum": 1833, "donAcc_type": "standard", "distance": 3.160, "atom1_id": "///A/157/O", "atom2_id": "///A/161/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 236, "atom1_serNum": 1811, "atom2_serNum": 1841, "donAcc_type": "standard", "distance": 2.954, "atom1_id": "///A/158/O", "atom2_id": "///A/162/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 237, "atom1_serNum": 1819, "atom2_serNum": 1848, "donAcc_type": "standard", "distance": 2.852, "atom1_id": "///A/159/O", "atom2_id": "///A/163/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 238, "atom1_serNum": 1828, "atom2_serNum": 1856, "donAcc_type": "standard", "distance": 3.078, "atom1_id": "///A/160/O", "atom2_id": "///A/164/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 239, "atom1_serNum": 1828, "atom2_serNum": 1863, "donAcc_type": "standard", "distance": 2.769, "atom1_id": "///A/160/O", "atom2_id": "///A/164/ND2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 240, "atom1_serNum": 1831, "atom2_serNum": 1863, "donAcc_type": "standard", "distance": 3.047, "atom1_id": "///A/160/OD1", "atom2_id": "///A/164/ND2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 241, "atom1_serNum": 1836, "atom2_serNum": 1864, "donAcc_type": "standard", "distance": 2.912, "atom1_id": "///A/161/O", "atom2_id": "///A/165/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 242, "atom1_serNum": 1844, "atom2_serNum": 1873, "donAcc_type": "standard", "distance": 2.963, "atom1_id": "///A/162/O", "atom2_id": "///A/166/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 243, "atom1_serNum": 1851, "atom2_serNum": 1880, "donAcc_type": "standard", "distance": 3.023, "atom1_id": "///A/163/O", "atom2_id": "///A/167/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 244, "atom1_serNum": 1859, "atom2_serNum": 1889, "donAcc_type": "standard", "distance": 3.228, "atom1_id": "///A/164/O", "atom2_id": "///A/168/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 245, "atom1_serNum": 1867, "atom2_serNum": 1898, "donAcc_type": "standard", "distance": 3.304, "atom1_id": "///A/165/O", "atom2_id": "///A/169/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 246, "atom1_serNum": 1871, "atom2_serNum": 1897, "donAcc_type": "standard", "distance": 3.288, "atom1_id": "///A/165/OE1", "atom2_id": "///A/168/NZ", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 247, "atom1_serNum": 1871, "atom2_serNum": 2273, "donAcc_type": "standard", "distance": 2.805, "atom1_id": "///A/165/OE1", "atom2_id": "///A/217/NE2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 248, "atom1_serNum": 1876, "atom2_serNum": 1898, "donAcc_type": "standard", "distance": 3.103, "atom1_id": "///A/166/O", "atom2_id": "///A/169/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 249, "atom1_serNum": 1876, "atom2_serNum": 1905, "donAcc_type": "standard", "distance": 3.225, "atom1_id": "///A/166/O", "atom2_id": "///A/170/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 250, "atom1_serNum": 1908, "atom2_serNum": 1928, "donAcc_type": "standard", "distance": 3.181, "atom1_id": "///A/170/O", "atom2_id": "///A/173/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 251, "atom1_serNum": 1911, "atom2_serNum": 1913, "donAcc_type": "standard", "distance": 2.932, "atom1_id": "///A/170/OD1", "atom2_id": "///A/171/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 252, "atom1_serNum": 1911, "atom2_serNum": 1919, "donAcc_type": "standard", "distance": 2.895, "atom1_id": "///A/170/OD1", "atom2_id": "///A/172/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 253, "atom1_serNum": 1939, "atom2_serNum": 2210, "donAcc_type": "acceptable", "distance": 2.474, "atom1_id": "///A/173/OH", "atom2_id": "///A/210/O", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 254, "atom1_serNum": 1940, "atom2_serNum": 2100, "donAcc_type": "standard", "distance": 2.894, "atom1_id": "///A/174/N", "atom2_id": "///A/196/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 255, "atom1_serNum": 1943, "atom2_serNum": 2097, "donAcc_type": "standard", "distance": 2.999, "atom1_id": "///A/174/O", "atom2_id": "///A/196/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 256, "atom1_serNum": 1953, "atom2_serNum": 2084, "donAcc_type": "standard", "distance": 2.880, "atom1_id": "///A/176/N", "atom2_id": "///A/194/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 257, "atom1_serNum": 1956, "atom2_serNum": 2081, "donAcc_type": "standard", "distance": 2.739, "atom1_id": "///A/176/O", "atom2_id": "///A/194/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 258, "atom1_serNum": 1958, "atom2_serNum": 2674, "donAcc_type": "acceptable", "distance": 3.912, "atom1_id": "///A/176/OG1", "atom2_id": "///A/265/OH", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 259, "atom1_serNum": 1967, "atom2_serNum": 2069, "donAcc_type": "standard", "distance": 2.710, "atom1_id": "///A/178/N", "atom2_id": "///A/192/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 260, "atom1_serNum": 1970, "atom2_serNum": 1983, "donAcc_type": "standard", "distance": 3.416, "atom1_id": "///A/178/O", "atom2_id": "///A/181/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 261, "atom1_serNum": 1973, "atom2_serNum": 2727, "donAcc_type": "standard", "distance": 2.896, "atom1_id": "///A/179/N", "atom2_id": "///A/272/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 262, "atom1_serNum": 1976, "atom2_serNum": 2005, "donAcc_type": "standard", "distance": 3.376, "atom1_id": "///A/179/O", "atom2_id": "///A/183/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 263, "atom1_serNum": 1977, "atom2_serNum": 3256, "donAcc_type": "standard", "distance": 3.518, "atom1_id": "///A/180/N", "atom2_id": "///A/401/O1B", "atom_pair": "N:O", "residue_pair": "aa:ligand" }, { "index": 264, "atom1_serNum": 1980, "atom2_serNum": 2020, "donAcc_type": "standard", "distance": 3.012, "atom1_id": "///A/180/O", "atom2_id": "///A/185/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 265, "atom1_serNum": 1982, "atom2_serNum": 2045, "donAcc_type": "acceptable", "distance": 2.905, "atom1_id": "///A/180/OG", "atom2_id": "///A/188/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 266, "atom1_serNum": 1982, "atom2_serNum": 3261, "donAcc_type": "acceptable", "distance": 2.530, "atom1_id": "///A/180/OG", "atom2_id": "///A/401/O3G", "atom_pair": "O:O", "residue_pair": "aa:ligand" }, { "index": 267, "atom1_serNum": 1986, "atom2_serNum": 2016, "donAcc_type": "standard", "distance": 2.962, "atom1_id": "///A/181/O", "atom2_id": "///A/184/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 268, "atom1_serNum": 2003, "atom2_serNum": 2740, "donAcc_type": "acceptable", "distance": 2.856, "atom1_id": "///A/182/NH1", "atom2_id": "///A/273/OG1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 269, "atom1_serNum": 2003, "atom2_serNum": 3066, "donAcc_type": "standard", "distance": 3.353, "atom1_id": "///A/182/NH1", "atom2_id": "///A/316/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 270, "atom1_serNum": 2004, "atom2_serNum": 3067, "donAcc_type": "standard", "distance": 2.940, "atom1_id": "///A/182/NH2", "atom2_id": "///A/316/OE2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 271, "atom1_serNum": 2012, "atom2_serNum": 3236, "donAcc_type": "acceptable", "distance": 2.885, "atom1_id": "///A/183/NE", "atom2_id": "///A/334/OG", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 272, "atom1_serNum": 2014, "atom2_serNum": 2738, "donAcc_type": "standard", "distance": 2.919, "atom1_id": "///A/183/NH1", "atom2_id": "///A/273/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 273, "atom1_serNum": 2014, "atom2_serNum": 3255, "donAcc_type": "acceptable", "distance": 2.742, "atom1_id": "///A/183/NH1", "atom2_id": "///A/401/O2B", "atom_pair": "N:O", "residue_pair": "aa:ligand" }, { "index": 274, "atom1_serNum": 2046, "atom2_serNum": 3261, "donAcc_type": "acceptable", "distance": 2.768, "atom1_id": "///A/189/N", "atom2_id": "///A/401/O3G", "atom_pair": "N:O", "residue_pair": "aa:ligand" }, { "index": 275, "atom1_serNum": 2056, "atom2_serNum": 2073, "donAcc_type": "questionable", "distance": 2.937, "atom1_id": "///A/190/OD1", "atom2_id": "///A/192/OD2", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 276, "atom1_serNum": 2058, "atom2_serNum": 2571, "donAcc_type": "standard", "distance": 3.143, "atom1_id": "///A/191/N", "atom2_id": "///A/254/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 277, "atom1_serNum": 2061, "atom2_serNum": 2587, "donAcc_type": "standard", "distance": 2.981, "atom1_id": "///A/191/O", "atom2_id": "///A/256/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 278, "atom1_serNum": 2074, "atom2_serNum": 2590, "donAcc_type": "standard", "distance": 2.909, "atom1_id": "///A/193/N", "atom2_id": "///A/256/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 279, "atom1_serNum": 2077, "atom2_serNum": 2603, "donAcc_type": "standard", "distance": 2.884, "atom1_id": "///A/193/O", "atom2_id": "///A/258/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 280, "atom1_serNum": 2089, "atom2_serNum": 2606, "donAcc_type": "standard", "distance": 2.670, "atom1_id": "///A/195/N", "atom2_id": "///A/258/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 281, "atom1_serNum": 2092, "atom2_serNum": 2622, "donAcc_type": "standard", "distance": 2.961, "atom1_id": "///A/195/O", "atom2_id": "///A/260/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 282, "atom1_serNum": 2107, "atom2_serNum": 2127, "donAcc_type": "standard", "distance": 3.019, "atom1_id": "///A/197/O", "atom2_id": "///A/200/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 283, "atom1_serNum": 2110, "atom2_serNum": 2121, "donAcc_type": "acceptable", "distance": 2.950, "atom1_id": "///A/197/ND1", "atom2_id": "///A/199/N", "atom_pair": "N:N", "residue_pair": "aa:aa" }, { "index": 284, "atom1_serNum": 2124, "atom2_serNum": 2163, "donAcc_type": "questionable", "distance": 3.305, "atom1_id": "///A/199/O", "atom2_id": "///A/204/O", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 285, "atom1_serNum": 2124, "atom2_serNum": 2173, "donAcc_type": "standard", "distance": 3.040, "atom1_id": "///A/199/O", "atom2_id": "///A/206/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 286, "atom1_serNum": 2130, "atom2_serNum": 2637, "donAcc_type": "standard", "distance": 2.951, "atom1_id": "///A/200/O", "atom2_id": "///A/262/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 287, "atom1_serNum": 2138, "atom2_serNum": 2163, "donAcc_type": "standard", "distance": 2.888, "atom1_id": "///A/201/N", "atom2_id": "///A/204/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 288, "atom1_serNum": 2143, "atom2_serNum": 2151, "donAcc_type": "acceptable", "distance": 3.094, "atom1_id": "///A/201/OG1", "atom2_id": "///A/203/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 289, "atom1_serNum": 2143, "atom2_serNum": 2160, "donAcc_type": "acceptable", "distance": 3.257, "atom1_id": "///A/201/OG1", "atom2_id": "///A/204/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 290, "atom1_serNum": 2145, "atom2_serNum": 2652, "donAcc_type": "standard", "distance": 2.815, "atom1_id": "///A/202/N", "atom2_id": "///A/263/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 291, "atom1_serNum": 2150, "atom2_serNum": 2653, "donAcc_type": "acceptable", "distance": 2.422, "atom1_id": "///A/202/OG", "atom2_id": "///A/263/OD2", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 292, "atom1_serNum": 2194, "atom2_serNum": 2241, "donAcc_type": "standard", "distance": 3.600, "atom1_id": "///A/208/O", "atom2_id": "///A/213/NE2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 293, "atom1_serNum": 2201, "atom2_serNum": 2233, "donAcc_type": "standard", "distance": 2.960, "atom1_id": "///A/209/O", "atom2_id": "///A/213/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 294, "atom1_serNum": 2218, "atom2_serNum": 2242, "donAcc_type": "standard", "distance": 3.019, "atom1_id": "///A/211/O", "atom2_id": "///A/214/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 295, "atom1_serNum": 2218, "atom2_serNum": 2249, "donAcc_type": "standard", "distance": 3.023, "atom1_id": "///A/211/O", "atom2_id": "///A/215/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 296, "atom1_serNum": 2226, "atom2_serNum": 2256, "donAcc_type": "standard", "distance": 2.740, "atom1_id": "///A/212/O", "atom2_id": "///A/216/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 297, "atom1_serNum": 2229, "atom2_serNum": 2380, "donAcc_type": "acceptable", "distance": 2.911, "atom1_id": "///A/212/ND1", "atom2_id": "///A/230/NZ", "atom_pair": "N:N", "residue_pair": "aa:aa" }, { "index": 298, "atom1_serNum": 2236, "atom2_serNum": 2265, "donAcc_type": "standard", "distance": 3.008, "atom1_id": "///A/213/O", "atom2_id": "///A/217/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 299, "atom1_serNum": 2245, "atom2_serNum": 2274, "donAcc_type": "standard", "distance": 3.058, "atom1_id": "///A/214/O", "atom2_id": "///A/218/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 300, "atom1_serNum": 2252, "atom2_serNum": 2282, "donAcc_type": "standard", "distance": 2.863, "atom1_id": "///A/215/O", "atom2_id": "///A/219/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 301, "atom1_serNum": 2259, "atom2_serNum": 2291, "donAcc_type": "standard", "distance": 2.759, "atom1_id": "///A/216/O", "atom2_id": "///A/220/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 302, "atom1_serNum": 2268, "atom2_serNum": 2300, "donAcc_type": "standard", "distance": 3.144, "atom1_id": "///A/217/O", "atom2_id": "///A/221/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 303, "atom1_serNum": 2277, "atom2_serNum": 2317, "donAcc_type": "standard", "distance": 2.893, "atom1_id": "///A/218/O", "atom2_id": "///A/223/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 304, "atom1_serNum": 2277, "atom2_serNum": 2328, "donAcc_type": "standard", "distance": 2.919, "atom1_id": "///A/218/O", "atom2_id": "///A/224/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 305, "atom1_serNum": 2285, "atom2_serNum": 2307, "donAcc_type": "standard", "distance": 2.721, "atom1_id": "///A/219/O", "atom2_id": "///A/222/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 306, "atom1_serNum": 2290, "atom2_serNum": 2356, "donAcc_type": "acceptable", "distance": 3.743, "atom1_id": "///A/219/NE2", "atom2_id": "///A/227/OG1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 307, "atom1_serNum": 2320, "atom2_serNum": 2446, "donAcc_type": "standard", "distance": 3.009, "atom1_id": "///A/223/O", "atom2_id": "///A/240/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 308, "atom1_serNum": 2336, "atom2_serNum": 2436, "donAcc_type": "standard", "distance": 2.833, "atom1_id": "///A/225/N", "atom2_id": "///A/238/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 309, "atom1_serNum": 2341, "atom2_serNum": 2349, "donAcc_type": "acceptable", "distance": 2.606, "atom1_id": "///A/225/OG1", "atom2_id": "///A/226/OD1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 310, "atom1_serNum": 2343, "atom2_serNum": 2436, "donAcc_type": "standard", "distance": 3.516, "atom1_id": "///A/226/N", "atom2_id": "///A/238/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 311, "atom1_serNum": 2346, "atom2_serNum": 2433, "donAcc_type": "standard", "distance": 2.959, "atom1_id": "///A/226/O", "atom2_id": "///A/238/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 312, "atom1_serNum": 2358, "atom2_serNum": 2424, "donAcc_type": "standard", "distance": 2.755, "atom1_id": "///A/228/N", "atom2_id": "///A/236/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 313, "atom1_serNum": 2366, "atom2_serNum": 2424, "donAcc_type": "standard", "distance": 3.041, "atom1_id": "///A/229/N", "atom2_id": "///A/236/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 314, "atom1_serNum": 2369, "atom2_serNum": 2421, "donAcc_type": "standard", "distance": 2.935, "atom1_id": "///A/229/O", "atom2_id": "///A/236/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 315, "atom1_serNum": 2381, "atom2_serNum": 2404, "donAcc_type": "standard", "distance": 3.114, "atom1_id": "///A/231/N", "atom2_id": "///A/234/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 316, "atom1_serNum": 2397, "atom2_serNum": 2614, "donAcc_type": "standard", "distance": 2.784, "atom1_id": "///A/233/O", "atom2_id": "///A/259/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 317, "atom1_serNum": 2410, "atom2_serNum": 2598, "donAcc_type": "standard", "distance": 2.897, "atom1_id": "///A/235/N", "atom2_id": "///A/257/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 318, "atom1_serNum": 2413, "atom2_serNum": 2595, "donAcc_type": "standard", "distance": 2.863, "atom1_id": "///A/235/O", "atom2_id": "///A/257/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 319, "atom1_serNum": 2429, "atom2_serNum": 2582, "donAcc_type": "standard", "distance": 2.827, "atom1_id": "///A/237/N", "atom2_id": "///A/255/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 320, "atom1_serNum": 2432, "atom2_serNum": 2577, "donAcc_type": "standard", "distance": 3.073, "atom1_id": "///A/237/O", "atom2_id": "///A/254/NH1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 321, "atom1_serNum": 2432, "atom2_serNum": 2579, "donAcc_type": "standard", "distance": 2.739, "atom1_id": "///A/237/O", "atom2_id": "///A/255/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 322, "atom1_serNum": 2440, "atom2_serNum": 2560, "donAcc_type": "standard", "distance": 2.765, "atom1_id": "///A/239/N", "atom2_id": "///A/253/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 323, "atom1_serNum": 2443, "atom2_serNum": 2557, "donAcc_type": "standard", "distance": 2.673, "atom1_id": "///A/239/O", "atom2_id": "///A/253/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 324, "atom1_serNum": 2454, "atom2_serNum": 2526, "donAcc_type": "standard", "distance": 2.960, "atom1_id": "///A/240/NE2", "atom2_id": "///A/249/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 325, "atom1_serNum": 2454, "atom2_serNum": 2531, "donAcc_type": "standard", "distance": 2.992, "atom1_id": "///A/240/NE2", "atom2_id": "///A/250/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 326, "atom1_serNum": 2476, "atom2_serNum": 2508, "donAcc_type": "standard", "distance": 3.375, "atom1_id": "///A/244/N", "atom2_id": "///A/247/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 327, "atom1_serNum": 2479, "atom2_serNum": 2501, "donAcc_type": "standard", "distance": 2.687, "atom1_id": "///A/244/O", "atom2_id": "///A/247/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 328, "atom1_serNum": 2547, "atom2_serNum": 2553, "donAcc_type": "acceptable", "distance": 3.155, "atom1_id": "///A/252/N", "atom2_id": "///A/252/ND1", "atom_pair": "N:N", "residue_pair": "aa:aa" }, { "index": 329, "atom1_serNum": 2577, "atom2_serNum": 2593, "donAcc_type": "standard", "distance": 3.061, "atom1_id": "///A/254/NH1", "atom2_id": "///A/256/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 330, "atom1_serNum": 2578, "atom2_serNum": 2593, "donAcc_type": "standard", "distance": 2.905, "atom1_id": "///A/254/NH2", "atom2_id": "///A/256/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 331, "atom1_serNum": 2578, "atom2_serNum": 2594, "donAcc_type": "standard", "distance": 3.372, "atom1_id": "///A/254/NH2", "atom2_id": "///A/256/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 332, "atom1_serNum": 2612, "atom2_serNum": 2915, "donAcc_type": "standard", "distance": 3.382, "atom1_id": "///A/258/NH1", "atom2_id": "///A/295/OE2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 333, "atom1_serNum": 2613, "atom2_serNum": 2915, "donAcc_type": "standard", "distance": 2.510, "atom1_id": "///A/258/NH2", "atom2_id": "///A/295/OE2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 334, "atom1_serNum": 2633, "atom2_serNum": 2654, "donAcc_type": "standard", "distance": 2.831, "atom1_id": "///A/261/O", "atom2_id": "///A/264/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 335, "atom1_serNum": 2657, "atom2_serNum": 2693, "donAcc_type": "standard", "distance": 3.046, "atom1_id": "///A/264/O", "atom2_id": "///A/268/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 336, "atom1_serNum": 2666, "atom2_serNum": 2697, "donAcc_type": "standard", "distance": 2.677, "atom1_id": "///A/265/O", "atom2_id": "///A/269/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 337, "atom1_serNum": 2678, "atom2_serNum": 2704, "donAcc_type": "standard", "distance": 3.105, "atom1_id": "///A/266/O", "atom2_id": "///A/270/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 338, "atom1_serNum": 2690, "atom2_serNum": 2712, "donAcc_type": "standard", "distance": 3.004, "atom1_id": "///A/267/O", "atom2_id": "///A/271/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 339, "atom1_serNum": 2696, "atom2_serNum": 2724, "donAcc_type": "standard", "distance": 2.948, "atom1_id": "///A/268/O", "atom2_id": "///A/272/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 340, "atom1_serNum": 2700, "atom2_serNum": 2735, "donAcc_type": "standard", "distance": 3.016, "atom1_id": "///A/269/O", "atom2_id": "///A/273/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 341, "atom1_serNum": 2700, "atom2_serNum": 2740, "donAcc_type": "acceptable", "distance": 2.472, "atom1_id": "///A/269/O", "atom2_id": "///A/273/OG1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 342, "atom1_serNum": 2707, "atom2_serNum": 2742, "donAcc_type": "standard", "distance": 3.386, "atom1_id": "///A/270/O", "atom2_id": "///A/274/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 343, "atom1_serNum": 2715, "atom2_serNum": 2786, "donAcc_type": "standard", "distance": 2.703, "atom1_id": "///A/271/O", "atom2_id": "///A/279/ND2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 344, "atom1_serNum": 2746, "atom2_serNum": 3223, "donAcc_type": "standard", "distance": 3.067, "atom1_id": "///A/275/N", "atom2_id": "///A/333/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 345, "atom1_serNum": 2749, "atom2_serNum": 2779, "donAcc_type": "standard", "distance": 2.807, "atom1_id": "///A/275/O", "atom2_id": "///A/279/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 346, "atom1_serNum": 2751, "atom2_serNum": 2768, "donAcc_type": "acceptable", "distance": 3.191, "atom1_id": "///A/275/OG", "atom2_id": "///A/278/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 347, "atom1_serNum": 2751, "atom2_serNum": 3246, "donAcc_type": "acceptable", "distance": 2.855, "atom1_id": "///A/275/OG", "atom2_id": "///A/335/OXT", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 348, "atom1_serNum": 2752, "atom2_serNum": 2758, "donAcc_type": "standard", "distance": 2.738, "atom1_id": "///A/276/N", "atom2_id": "///A/276/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 349, "atom1_serNum": 2755, "atom2_serNum": 2787, "donAcc_type": "standard", "distance": 2.996, "atom1_id": "///A/276/O", "atom2_id": "///A/280/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 350, "atom1_serNum": 2758, "atom2_serNum": 2760, "donAcc_type": "standard", "distance": 2.598, "atom1_id": "///A/276/OD1", "atom2_id": "///A/277/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 351, "atom1_serNum": 2763, "atom2_serNum": 2796, "donAcc_type": "standard", "distance": 2.747, "atom1_id": "///A/277/O", "atom2_id": "///A/281/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 352, "atom1_serNum": 2771, "atom2_serNum": 2804, "donAcc_type": "standard", "distance": 2.709, "atom1_id": "///A/278/O", "atom2_id": "///A/282/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 353, "atom1_serNum": 2782, "atom2_serNum": 2812, "donAcc_type": "standard", "distance": 2.779, "atom1_id": "///A/279/O", "atom2_id": "///A/283/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 354, "atom1_serNum": 2786, "atom2_serNum": 3268, "donAcc_type": "standard", "distance": 3.034, "atom1_id": "///A/279/ND2", "atom2_id": "///A/401/N3", "atom_pair": "N:N", "residue_pair": "aa:ligand" }, { "index": 355, "atom1_serNum": 2790, "atom2_serNum": 2823, "donAcc_type": "standard", "distance": 2.850, "atom1_id": "///A/280/O", "atom2_id": "///A/284/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 356, "atom1_serNum": 2799, "atom2_serNum": 2828, "donAcc_type": "standard", "distance": 3.022, "atom1_id": "///A/281/O", "atom2_id": "///A/285/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 357, "atom1_serNum": 2803, "atom2_serNum": 3244, "donAcc_type": "standard", "distance": 2.788, "atom1_id": "///A/281/ND2", "atom2_id": "///A/335/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 358, "atom1_serNum": 2807, "atom2_serNum": 2838, "donAcc_type": "standard", "distance": 2.900, "atom1_id": "///A/282/O", "atom2_id": "///A/286/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 359, "atom1_serNum": 2815, "atom2_serNum": 2843, "donAcc_type": "standard", "distance": 3.004, "atom1_id": "///A/283/O", "atom2_id": "///A/287/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 360, "atom1_serNum": 2826, "atom2_serNum": 2851, "donAcc_type": "standard", "distance": 3.103, "atom1_id": "///A/284/O", "atom2_id": "///A/288/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 361, "atom1_serNum": 2831, "atom2_serNum": 2860, "donAcc_type": "standard", "distance": 2.944, "atom1_id": "///A/285/O", "atom2_id": "///A/289/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 362, "atom1_serNum": 2837, "atom2_serNum": 3127, "donAcc_type": "standard", "distance": 2.947, "atom1_id": "///A/285/NE2", "atom2_id": "///A/323/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 363, "atom1_serNum": 2841, "atom2_serNum": 2860, "donAcc_type": "standard", "distance": 2.971, "atom1_id": "///A/286/O", "atom2_id": "///A/289/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 364, "atom1_serNum": 2841, "atom2_serNum": 2869, "donAcc_type": "standard", "distance": 2.887, "atom1_id": "///A/286/O", "atom2_id": "///A/290/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 365, "atom1_serNum": 2841, "atom2_serNum": 2873, "donAcc_type": "standard", "distance": 2.674, "atom1_id": "///A/286/O", "atom2_id": "///A/291/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 366, "atom1_serNum": 2846, "atom2_serNum": 2869, "donAcc_type": "standard", "distance": 2.897, "atom1_id": "///A/287/O", "atom2_id": "///A/290/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 367, "atom1_serNum": 2868, "atom2_serNum": 3139, "donAcc_type": "standard", "distance": 2.584, "atom1_id": "///A/289/NZ", "atom2_id": "///A/324/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 368, "atom1_serNum": 2872, "atom2_serNum": 2961, "donAcc_type": "standard", "distance": 2.971, "atom1_id": "///A/290/O", "atom2_id": "///A/301/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 369, "atom1_serNum": 2884, "atom2_serNum": 2946, "donAcc_type": "standard", "distance": 2.837, "atom1_id": "///A/292/N", "atom2_id": "///A/299/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 370, "atom1_serNum": 2887, "atom2_serNum": 2943, "donAcc_type": "standard", "distance": 2.962, "atom1_id": "///A/292/O", "atom2_id": "///A/299/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 371, "atom1_serNum": 2899, "atom2_serNum": 2931, "donAcc_type": "standard", "distance": 3.014, "atom1_id": "///A/294/N", "atom2_id": "///A/297/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 372, "atom1_serNum": 2905, "atom2_serNum": 2916, "donAcc_type": "standard", "distance": 2.862, "atom1_id": "///A/294/OD1", "atom2_id": "///A/296/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 373, "atom1_serNum": 2905, "atom2_serNum": 2928, "donAcc_type": "standard", "distance": 2.836, "atom1_id": "///A/294/OD1", "atom2_id": "///A/297/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 374, "atom1_serNum": 2907, "atom2_serNum": 2914, "donAcc_type": "standard", "distance": 2.703, "atom1_id": "///A/295/N", "atom2_id": "///A/295/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 375, "atom1_serNum": 2938, "atom2_serNum": 3023, "donAcc_type": "standard", "distance": 2.990, "atom1_id": "///A/298/O", "atom2_id": "///A/311/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 376, "atom1_serNum": 2957, "atom2_serNum": 3003, "donAcc_type": "standard", "distance": 2.765, "atom1_id": "///A/300/O", "atom2_id": "///A/308/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 377, "atom1_serNum": 2969, "atom2_serNum": 2994, "donAcc_type": "standard", "distance": 2.983, "atom1_id": "///A/302/N", "atom2_id": "///A/306/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 378, "atom1_serNum": 2972, "atom2_serNum": 2987, "donAcc_type": "standard", "distance": 2.565, "atom1_id": "///A/302/O", "atom2_id": "///A/305/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 379, "atom1_serNum": 3034, "atom2_serNum": 3123, "donAcc_type": "acceptable", "distance": 2.682, "atom1_id": "///A/312/O", "atom2_id": "///A/322/OH", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 380, "atom1_serNum": 3045, "atom2_serNum": 3084, "donAcc_type": "standard", "distance": 2.927, "atom1_id": "///A/314/N", "atom2_id": "///A/318/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 381, "atom1_serNum": 3056, "atom2_serNum": 3085, "donAcc_type": "standard", "distance": 3.824, "atom1_id": "///A/315/O", "atom2_id": "///A/319/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 382, "atom1_serNum": 3058, "atom2_serNum": 3077, "donAcc_type": "acceptable", "distance": 3.096, "atom1_id": "///A/315/OG", "atom2_id": "///A/318/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 383, "atom1_serNum": 3062, "atom2_serNum": 3085, "donAcc_type": "standard", "distance": 2.856, "atom1_id": "///A/316/O", "atom2_id": "///A/319/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 384, "atom1_serNum": 3062, "atom2_serNum": 3093, "donAcc_type": "standard", "distance": 3.402, "atom1_id": "///A/316/O", "atom2_id": "///A/320/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 385, "atom1_serNum": 3066, "atom2_serNum": 3229, "donAcc_type": "standard", "distance": 2.789, "atom1_id": "///A/316/OE1", "atom2_id": "///A/333/NH1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 386, "atom1_serNum": 3066, "atom2_serNum": 3230, "donAcc_type": "standard", "distance": 2.889, "atom1_id": "///A/316/OE1", "atom2_id": "///A/333/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 387, "atom1_serNum": 3071, "atom2_serNum": 3104, "donAcc_type": "standard", "distance": 2.758, "atom1_id": "///A/317/O", "atom2_id": "///A/321/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 388, "atom1_serNum": 3076, "atom2_serNum": 3111, "donAcc_type": "standard", "distance": 2.668, "atom1_id": "///A/317/NZ", "atom2_id": "///A/321/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 389, "atom1_serNum": 3080, "atom2_serNum": 3112, "donAcc_type": "standard", "distance": 3.013, "atom1_id": "///A/318/O", "atom2_id": "///A/322/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 390, "atom1_serNum": 3088, "atom2_serNum": 3124, "donAcc_type": "standard", "distance": 3.609, "atom1_id": "///A/319/O", "atom2_id": "///A/323/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 391, "atom1_serNum": 3096, "atom2_serNum": 3132, "donAcc_type": "standard", "distance": 3.041, "atom1_id": "///A/320/O", "atom2_id": "///A/324/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 392, "atom1_serNum": 3096, "atom2_serNum": 3141, "donAcc_type": "standard", "distance": 3.027, "atom1_id": "///A/320/O", "atom2_id": "///A/325/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 393, "atom1_serNum": 3107, "atom2_serNum": 3132, "donAcc_type": "standard", "distance": 3.070, "atom1_id": "///A/321/O", "atom2_id": "///A/324/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 394, "atom1_serNum": 3175, "atom2_serNum": 3195, "donAcc_type": "acceptable", "distance": 3.615, "atom1_id": "///A/327/OH", "atom2_id": "///A/329/OE2", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 395, "atom1_serNum": 3175, "atom2_serNum": 3230, "donAcc_type": "acceptable", "distance": 3.147, "atom1_id": "///A/327/OH", "atom2_id": "///A/333/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 396, "atom1_serNum": 3179, "atom2_serNum": 3227, "donAcc_type": "standard", "distance": 2.797, "atom1_id": "///A/328/O", "atom2_id": "///A/333/NE", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 397, "atom1_serNum": 3179, "atom2_serNum": 3230, "donAcc_type": "standard", "distance": 2.931, "atom1_id": "///A/328/O", "atom2_id": "///A/333/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 398, "atom1_serNum": 3183, "atom2_serNum": 3215, "donAcc_type": "standard", "distance": 3.304, "atom1_id": "///A/328/NE", "atom2_id": "///A/332/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 399, "atom1_serNum": 3185, "atom2_serNum": 3245, "donAcc_type": "standard", "distance": 3.269, "atom1_id": "///A/328/NH1", "atom2_id": "///A/335/OE2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 400, "atom1_serNum": 3186, "atom2_serNum": 3215, "donAcc_type": "standard", "distance": 2.909, "atom1_id": "///A/328/NH2", "atom2_id": "///A/332/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 401, "atom1_serNum": 3186, "atom2_serNum": 3245, "donAcc_type": "standard", "distance": 2.281, "atom1_id": "///A/328/NH2", "atom2_id": "///A/335/OE2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 402, "atom1_serNum": 3190, "atom2_serNum": 3212, "donAcc_type": "standard", "distance": 2.733, "atom1_id": "///A/329/O", "atom2_id": "///A/332/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 403, "atom1_serNum": 3199, "atom2_serNum": 3220, "donAcc_type": "standard", "distance": 2.941, "atom1_id": "///A/330/O", "atom2_id": "///A/333/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 404, "atom1_serNum": 3211, "atom2_serNum": 3219, "donAcc_type": "standard", "distance": 2.868, "atom1_id": "///A/331/NZ", "atom2_id": "///A/332/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 405, "atom1_serNum": 3223, "atom2_serNum": 3237, "donAcc_type": "standard", "distance": 2.919, "atom1_id": "///A/333/O", "atom2_id": "///A/335/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 406, "atom1_serNum": 3255, "atom2_serNum": 3277, "donAcc_type": "acceptable", "distance": 2.834, "atom1_id": "///A/401/O2B", "atom2_id": "///A/401/O3'", "atom_pair": "O:O", "residue_pair": "ligand:ligand" } ], "refCoords": { "purine": [ " 12 ATOMS, 12 BONDS", " 1 N -2.2500 5.0000 0.4000", " 2 N -2.2500 -0.5000 0.4000", " 3 N -2.2500 -0.5000 -0.4000", " 4 N -2.2500 5.0000 -0.4000", " 5 C 1.2500 5.0000 0.4000", " 6 C 1.2500 -0.5000 0.4000", " 7 C 1.2500 -0.5000 -0.4000", " 8 C 1.2500 5.0000 -0.4000", " 9 C -2.2500 5.0000 0.4000", " 10 C -2.2500 -0.5000 0.4000", " 11 C -2.2500 -0.5000 -0.4000", " 12 C -2.2500 5.0000 -0.4000", " 1 1 2", " 2 2 3", " 3 3 4", " 4 4 1", " 5 5 6", " 6 6 7", " 7 7 8", " 8 5 8", " 9 9 5", " 10 10 6", " 11 11 7", " 12 12 8" ], "pyrimidine": [ " 12 ATOMS, 12 BONDS", " 1 N -2.2500 5.0000 0.4000", " 2 N -2.2500 1.0000 0.4000", " 3 N -2.2500 1.0000 -0.4000", " 4 N -2.2500 5.0000 -0.4000", " 5 C 1.2500 5.0000 0.4000", " 6 C 1.2500 1.0000 0.4000", " 7 C 1.2500 1.0000 -0.4000", " 8 C 1.2500 5.0000 -0.4000", " 9 C -2.2500 5.0000 0.4000", " 10 C -2.2500 1.0000 0.4000", " 11 C -2.2500 1.0000 -0.4000", " 12 C -2.2500 5.0000 -0.4000", " 1 1 2", " 2 2 3", " 3 3 4", " 4 4 1", " 5 5 6", " 6 6 7", " 7 7 8", " 8 5 8", " 9 9 5", " 10 10 6", " 11 11 7", " 12 12 8" ], "wc_pair": [ " 12 ATOMS, 12 BONDS", " 1 N -2.2500 5.0000 0.4000", " 2 N -2.2500 -5.0000 0.4000", " 3 N -2.2500 -5.0000 -0.4000", " 4 N -2.2500 5.0000 -0.4000", " 5 C 2.2500 5.0000 0.4000", " 6 C 2.2500 -5.0000 0.4000", " 7 C 2.2500 -5.0000 -0.4000", " 8 C 2.2500 5.0000 -0.4000", " 9 C -2.2500 5.0000 0.4000", " 10 C -2.2500 -5.0000 0.4000", " 11 C -2.2500 -5.0000 -0.4000", " 12 C -2.2500 5.0000 -0.4000", " 1 1 2", " 2 2 3", " 3 3 4", " 4 4 1", " 5 5 6", " 6 6 7", " 7 7 8", " 8 5 8", " 9 9 5", " 10 10 6", " 11 11 7", " 12 12 8" ] }, "metadata": { "license": "http://innovation.columbia.edu/technologies/CU20391", "url": "http://x3dna.org/", "url_alt": "http://home.x3dna.org/", "forum": "http://forum.x3dna.org/", "citation": "Lu et al. (2015). 'DSSR: an integrated software tool for dissecting the spatial structure of RNA.' Nucleic Acids Res., 43(21):e142 [doi:10.1093/nar/gkv716].", "str_id": "6cr5", "num_aaChains": 1, "aaChains": "A=327", "num_naChains": 3, "naChains": "D=5,P=10,T=16", "num_atoms": 3508, "num_waters": 231, "num_metals": 4, "metals_desc": "Na=3,Mg=1", "num_notes": 52, "notes": [ { "Aminors": "A-minor interactions (including types I and II)" }, { "Cstem_index": "stem index of the 'Canonical' helix in k-turn" }, { "Cstem_pair": "Cstem bp delineating the k-turn internal loop" }, { "Dp": "perpendicular distance of the 3' P atom to the glycosidic bond" }, { "GA_pair": "sheared G-A pair in k-turn" }, { "HtypePknot": "H-type pseudoknot" }, { "Kturn": "kink-turn (k-turn)" }, { "LW": "Leontis-Westhof" }, { "NCstem_index": "stem index of the 'Non-Canonical' helix in k-turn" }, { "NCstem_pair": "NCstem bp delineating the k-turn internal loop" }, { "Uturn": "U-turn of the UNR- or GNRA-type" }, { "aa": "amino acid" }, { "atom_pair": "symbols of the two atoms involved in an H-bond" }, { "auxfiles": "auxiliary files" }, { "glyco_bond": "conformation of base related to sugar (syn or anti)" }, { "bb_type": "backbone conformation, BI or BII" }, { "bending_angle": "angle between two helical axes" }, { "bp": "base pair" }, { "bseq": "base sequence in one-letter code" }, { "bulge": "bulge loop" }, { "coaxStacks": "coaxial stacking of stems within a helix" }, { "dbn": "dot bracket notation" }, { "desc": "description" }, { "donAcc_type": "donor/acceptor type of the atom pair in an H-bond" }, { "epsilon_zeta": "difference between epsilon and zeta torsion angles" }, { "hairpin": "hairpin loop" }, { "hbond": "hydrogen bond (H-bond)" }, { "helix": "defined by base-stacking interactions, regardless of bp type and backbone connectivity" }, { "id": "identifier" }, { "iloop": "internal loop" }, { "index": "serial number" }, { "isoCanonPairs": "isolated canonical pairs" }, { "junction": "(multi-branched) junction loop" }, { "kissingLoop": "kissing loop" }, { "multiplet": "3+ bases in a coplanar geometry" }, { "na": "nucleic acid" }, { "nonPair": "two nts not forming a pair, but with H-bonding/stacking interactions" }, { "nonStack": "nucleotide not involved in stacking interactions" }, { "nt": "nucleotide" }, { "num": "number" }, { "oArea": "overlap areas between two bases, including exocyclic atoms" }, { "oArea_ring": "overlap areas between two bases, including only ring atoms" }, { "phosContacts": "H-bonding and atom-capping interactions involving a phosphate" }, { "residue_pair": "types of the two residues involved in an H-bond" }, { "rmsd": "root-mean-squares deviation" }, { "serNum": "serial number" }, { "ssSegments": "single-stranded segments not involved in loops" }, { "ssZp": "Z-coordinate of the 3' phosphorus atom with reference to the 5' base plane" }, { "sstr": "secondary structure in dbn" }, { "stem": "helix consisting of only canonical pairs, with a continuous backbone" }, { "str_id": "structure identifier, derived from inpfile with extension removed" }, { "vert_dist": "vertical distance from an atom to a base plane" } ], "num_auxfiles": 13, "auxfiles": [ { "index": 1, "name": "dssr-pairs.pdb", "desc": "an ensemble of base pairs" }, { "index": 2, "name": "dssr-stems.pdb", "desc": "an ensemble of stems" }, { "index": 3, "name": "dssr-helices.pdb", "desc": "an ensemble of helices (coaxial stacking)" }, { "index": 4, "name": "dssr-2ndstrs.bpseq", "desc": "secondary structure in bpseq format" }, { "index": 5, "name": "dssr-2ndstrs.ct", "desc": "secondary structure in connectivity table format" }, { "index": 6, "name": "dssr-2ndstrs.dbn", "desc": "secondary structure in dot-bracket notation" }, { "index": 7, "name": "dssr-torsions.txt", "desc": "backbone torsion angles and suite names" }, { "index": 8, "name": "dssr-splays.pdb", "desc": "an ensemble of splayed-apart units" }, { "index": 9, "name": "dssr-stacks.pdb", "desc": "an ensemble of base stacks" }, { "index": 10, "name": "dssr-rotmat.txt", "desc": "position vector and rotation matrix" }, { "index": 11, "name": "dssr-viewV.pdb", "desc": "vertical view of the principal moment of inertia" }, { "index": 12, "name": "dssr-viewH.pdb", "desc": "horizontal view of the principal moment of inertia" }, { "index": 13, "name": "dssr-viewT.pdb", "desc": "top view of the principal moment of inertia" } ], "time_used": "999" } }