{ "num_pairs": 13, "pairs": [ { "index": 1, "nt1": "///B/3", "nt2": "///C/15", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -108.886, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 59.668, "chi2": -139.583, "conf2": "anti", "pucker2": "~C3'-endo", "lambda2": 54.430, "C1C1_dist": 10.763, "N1N9_dist": 9.159, "C6C8_dist": 10.244, "CNNC_torsion": -13.818, "hbonds_num": 4, "hbonds_desc": "O6(carbonyl)-N4(amino)[3.44],N1(imino)-N3[3.13],N2(amino)-O2(carbonyl)[2.79],N2(amino)-N3[3.20]", "interBase_angle": 15.728, "planarity": 0.196, "simple_Shear": 0.395, "simple_Stretch": 0.237, "simple_Buckle": -1.584, "simple_Propeller": -15.648, "bp_simpleParams": [ 0.395, 0.237, 0.132, -1.584, -15.648, 6.922 ], "bp_params": [ 0.406, 0.218, 0.132, -2.296, -15.560, 6.984 ], "frame": { "rmsd": null, "origin": [ -10.685, -8.089, 22.814 ], "x_axis": [ -0.029, -0.493, -0.870 ], "y_axis": [ 0.333, 0.815, -0.473 ], "z_axis": [ 0.942, -0.304, 0.141 ], "quaternion": [ 0.694, -0.061, 0.653, -0.298 ] } }, { "index": 2, "nt1": "///B/4", "nt2": "///C/14", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -123.875, "conf1": "anti", "pucker1": "----", "lambda1": 55.606, "chi2": -101.211, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 55.608, "C1C1_dist": 10.439, "N1N9_dist": 8.773, "C6C8_dist": 9.800, "CNNC_torsion": -8.883, "hbonds_num": 2, "hbonds_desc": "N3(imino)-N1[2.78],O4(carbonyl)-N6(amino)[3.06]", "interBase_angle": 8.522, "planarity": 0.130, "simple_Shear": 0.010, "simple_Stretch": -0.161, "simple_Buckle": 2.232, "simple_Propeller": -8.224, "bp_simpleParams": [ 0.010, -0.161, 0.254, 2.232, -8.224, 2.816 ], "bp_params": [ 0.011, -0.161, 0.254, 2.265, -8.215, 2.823 ], "frame": { "rmsd": null, "origin": [ -7.711, -9.250, 22.810 ], "x_axis": [ 0.219, 0.042, -0.975 ], "y_axis": [ 0.265, 0.959, 0.101 ], "z_axis": [ 0.939, -0.280, 0.199 ], "quaternion": [ 0.771, 0.124, 0.621, -0.072 ] } }, { "index": 3, "nt1": "///B/5", "nt2": "///C/13", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -109.283, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 54.448, "chi2": -110.518, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 52.354, "C1C1_dist": 10.681, "N1N9_dist": 8.917, "C6C8_dist": 9.825, "CNNC_torsion": -12.241, "hbonds_num": 2, "hbonds_desc": "N6(amino)-O4(carbonyl)[2.91],N1-N3(imino)[2.84]", "interBase_angle": 14.936, "planarity": 0.180, "simple_Shear": 0.296, "simple_Stretch": -0.094, "simple_Buckle": 10.149, "simple_Propeller": -10.958, "bp_simpleParams": [ 0.296, -0.094, 0.144, 10.149, -10.958, -1.882 ], "bp_params": [ 0.293, -0.102, 0.144, 9.818, -11.255, -1.884 ], "frame": { "rmsd": null, "origin": [ -4.965, -10.204, 24.128 ], "x_axis": [ 0.302, 0.602, -0.739 ], "y_axis": [ 0.102, 0.751, 0.653 ], "z_axis": [ 0.948, -0.273, 0.165 ], "quaternion": [ 0.745, 0.311, 0.566, 0.168 ] } }, { "index": 4, "nt1": "///B/6", "nt2": "///C/12", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -112.072, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 53.586, "chi2": -115.147, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 53.745, "C1C1_dist": 10.664, "N1N9_dist": 8.924, "C6C8_dist": 9.862, "CNNC_torsion": -13.281, "hbonds_num": 3, "hbonds_desc": "O6(carbonyl)-N4(amino)[2.91],N1(imino)-N3[2.86],N2(amino)-O2(carbonyl)[2.83]", "interBase_angle": 16.716, "planarity": 0.208, "simple_Shear": -0.148, "simple_Stretch": -0.163, "simple_Buckle": -2.812, "simple_Propeller": -16.478, "bp_simpleParams": [ -0.148, -0.163, -0.131, -2.812, -16.478, 0.759 ], "bp_params": [ -0.147, -0.164, -0.131, -2.655, -16.504, 0.767 ], "frame": { "rmsd": null, "origin": [ -1.517, -11.305, 24.168 ], "x_axis": [ 0.204, 0.941, -0.270 ], "y_axis": [ -0.060, 0.287, 0.956 ], "z_axis": [ 0.977, -0.179, 0.115 ], "quaternion": [ 0.634, 0.448, 0.492, 0.395 ] } }, { "index": 5, "nt1": "///B/7", "nt2": "///C/11", "bp": "A-c", "name": "--", "Saenger": "--", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -107.925, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 55.140, "chi2": -130.059, "conf2": "anti", "pucker2": "----", "lambda2": 54.414, "C1C1_dist": 10.653, "N1N9_dist": 8.960, "C6C8_dist": 9.915, "CNNC_torsion": -13.503, "hbonds_num": 2, "hbonds_desc": "N6(amino)-O4[3.03],N1*N3[2.82]", "unusual_base2base_hbonds": 1, "interBase_angle": 17.810, "planarity": 0.270, "simple_Shear": -0.159, "simple_Stretch": -0.052, "simple_Buckle": -8.540, "simple_Propeller": -15.629, "bp_simpleParams": [ -0.159, -0.052, -0.063, -8.540, -15.629, 1.021 ], "bp_params": [ -0.159, -0.053, -0.063, -8.413, -15.697, 1.028 ], "frame": { "rmsd": null, "origin": [ 1.621, -12.163, 24.499 ], "x_axis": [ 0.037, 0.929, 0.367 ], "y_axis": [ -0.208, -0.352, 0.913 ], "z_axis": [ 0.977, -0.110, 0.180 ], "quaternion": [ 0.465, 0.550, 0.328, 0.611 ] } }, { "index": 6, "nt1": "///B/8", "nt2": "///C/10", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -128.675, "conf1": "anti", "pucker1": "----", "lambda1": 53.951, "chi2": -94.749, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 57.311, "C1C1_dist": 10.666, "N1N9_dist": 9.004, "C6C8_dist": 9.982, "CNNC_torsion": -8.415, "hbonds_num": 3, "hbonds_desc": "O2(carbonyl)-N2(amino)[2.81],N3-N1(imino)[2.96],N4(amino)-O6(carbonyl)[3.02]", "interBase_angle": 13.557, "planarity": 0.188, "simple_Shear": 0.080, "simple_Stretch": -0.010, "simple_Buckle": -11.886, "simple_Propeller": -6.520, "bp_simpleParams": [ 0.080, -0.010, 0.186, -11.886, -6.520, 1.504 ], "bp_params": [ 0.080, -0.011, 0.186, -11.935, -6.431, 1.498 ], "frame": { "rmsd": null, "origin": [ 4.953, -11.902, 25.216 ], "x_axis": [ -0.102, 0.571, 0.815 ], "y_axis": [ -0.216, -0.812, 0.542 ], "z_axis": [ 0.971, -0.121, 0.207 ], "quaternion": [ 0.270, 0.613, 0.145, 0.728 ] } }, { "index": 7, "nt1": "///B/9", "nt2": "///C/9", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -114.180, "conf1": "anti", "pucker1": "~C3'-endo", "lambda1": 57.111, "chi2": -85.693, "conf2": "--", "pucker2": "~C2'-endo", "lambda2": 57.525, "C1C1_dist": 10.399, "N1N9_dist": 8.813, "C6C8_dist": 9.875, "CNNC_torsion": -1.765, "hbonds_num": 2, "hbonds_desc": "N3(imino)-N1[2.84],O4(carbonyl)-N6(amino)[3.12]", "interBase_angle": 4.116, "planarity": 0.052, "simple_Shear": 0.027, "simple_Stretch": -0.083, "simple_Buckle": 4.043, "simple_Propeller": -0.773, "bp_simpleParams": [ 0.027, -0.083, -0.150, 4.043, -0.773, 3.733 ], "bp_params": [ 0.027, -0.083, -0.150, 4.044, -0.766, 3.731 ], "frame": { "rmsd": null, "origin": [ 7.781, -12.641, 25.979 ], "x_axis": [ -0.328, 0.201, 0.923 ], "y_axis": [ -0.051, -0.979, 0.195 ], "z_axis": [ 0.943, 0.017, 0.331 ], "quaternion": [ 0.078, 0.575, 0.065, 0.812 ] } }, { "index": 8, "nt1": "///B/10", "nt2": "///C/8", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -129.221, "conf1": "anti", "pucker1": "~C3'-endo", "lambda1": 55.484, "chi2": -65.762, "conf2": "--", "pucker2": "~C2'-endo", "lambda2": 53.160, "C1C1_dist": 10.479, "N1N9_dist": 8.763, "C6C8_dist": 9.579, "CNNC_torsion": 0.034, "hbonds_num": 3, "hbonds_desc": "O2(carbonyl)-N2(amino)[2.94],N3-N1(imino)[2.97],N4(amino)-O6(carbonyl)[2.92]", "interBase_angle": 36.732, "planarity": 0.417, "simple_Shear": 0.440, "simple_Stretch": 0.018, "simple_Buckle": -35.441, "simple_Propeller": 9.650, "bp_simpleParams": [ 0.440, 0.018, 0.652, -35.441, 9.650, -2.119 ], "bp_params": [ 0.440, 0.006, 0.652, -35.250, 10.327, -2.029 ], "frame": { "rmsd": null, "origin": [ 11.344, -14.511, 30.476 ], "x_axis": [ -0.801, -0.313, 0.510 ], "y_axis": [ 0.236, -0.949, -0.211 ], "z_axis": [ 0.550, -0.049, 0.834 ], "quaternion": [ -0.145, 0.280, -0.069, 0.947 ] } }, { "index": 9, "nt1": "///B/11", "nt2": "///C/7", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -82.898, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 53.634, "chi2": -116.672, "conf2": "anti", "pucker2": "----", "lambda2": 53.621, "C1C1_dist": 10.683, "N1N9_dist": 8.937, "C6C8_dist": 9.854, "CNNC_torsion": 3.099, "hbonds_num": 3, "hbonds_desc": "O6(carbonyl)-N4(amino)[2.91],N1(imino)-N3[2.89],N2(amino)-O2(carbonyl)[2.80]", "interBase_angle": 13.920, "planarity": 0.149, "simple_Shear": -0.270, "simple_Stretch": -0.136, "simple_Buckle": 10.859, "simple_Propeller": 8.709, "bp_simpleParams": [ -0.270, -0.136, 0.324, 10.859, 8.709, -0.050 ], "bp_params": [ -0.267, -0.141, 0.324, 10.701, 8.903, -0.050 ], "frame": { "rmsd": null, "origin": [ 13.010, -16.087, 32.143 ], "x_axis": [ -0.797, -0.521, 0.305 ], "y_axis": [ 0.436, -0.846, -0.305 ], "z_axis": [ 0.417, -0.111, 0.902 ], "quaternion": [ -0.254, 0.192, -0.110, 0.942 ] } }, { "index": 10, "nt1": "///B/12", "nt2": "///C/6", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -96.564, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 52.216, "chi2": -117.103, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 55.817, "C1C1_dist": 10.753, "N1N9_dist": 9.020, "C6C8_dist": 9.963, "CNNC_torsion": -12.007, "hbonds_num": 3, "hbonds_desc": "O6(carbonyl)-N4(amino)[3.08],N1(imino)-N3[3.01],N2(amino)-O2(carbonyl)[2.88]", "interBase_angle": 16.808, "planarity": 0.232, "simple_Shear": -0.370, "simple_Stretch": 0.005, "simple_Buckle": 13.423, "simple_Propeller": -10.115, "bp_simpleParams": [ -0.370, 0.005, 0.270, 13.423, -10.115, 1.019 ], "bp_params": [ -0.370, -0.009, 0.270, 13.798, -9.597, 1.015 ], "frame": { "rmsd": null, "origin": [ 15.417, -16.313, 34.810 ], "x_axis": [ -0.450, -0.892, -0.049 ], "y_axis": [ 0.824, -0.393, -0.409 ], "z_axis": [ 0.345, -0.224, 0.911 ], "quaternion": [ 0.517, -0.089, 0.191, -0.830 ] } }, { "index": 11, "nt1": "///B/13", "nt2": "///C/5", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -104.067, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 54.811, "chi2": -117.115, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 51.053, "C1C1_dist": 10.783, "N1N9_dist": 9.010, "C6C8_dist": 9.939, "CNNC_torsion": -14.927, "hbonds_num": 2, "hbonds_desc": "N6(amino)-O4(carbonyl)[3.09],N1-N3(imino)[2.94]", "interBase_angle": 18.036, "planarity": 0.221, "simple_Shear": 0.407, "simple_Stretch": 0.016, "simple_Buckle": 9.007, "simple_Propeller": -15.626, "bp_simpleParams": [ 0.407, 0.016, 0.120, 9.007, -15.626, -1.013 ], "bp_params": [ 0.407, -0.000, 0.120, 8.343, -15.991, -1.021 ], "frame": { "rmsd": null, "origin": [ 16.501, -16.977, 38.017 ], "x_axis": [ 0.175, -0.939, -0.296 ], "y_axis": [ 0.919, 0.264, -0.293 ], "z_axis": [ 0.353, -0.220, 0.909 ], "quaternion": [ 0.766, -0.024, 0.212, -0.606 ] } }, { "index": 12, "nt1": "///B/14", "nt2": "///C/4", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -116.188, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 55.862, "chi2": -131.879, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 50.049, "C1C1_dist": 10.883, "N1N9_dist": 9.114, "C6C8_dist": 10.029, "CNNC_torsion": -5.529, "hbonds_num": 3, "hbonds_desc": "O2(carbonyl)-N2(amino)[3.07],N3-N1(imino)[3.13],N4(amino)-O6(carbonyl)[3.14]", "interBase_angle": 10.334, "planarity": 0.129, "simple_Shear": 0.682, "simple_Stretch": 0.021, "simple_Buckle": 3.038, "simple_Propeller": -9.877, "bp_simpleParams": [ 0.682, 0.021, -0.211, 3.038, -9.877, -0.119 ], "bp_params": [ 0.682, -0.021, -0.211, 2.411, -10.049, -0.119 ], "frame": { "rmsd": null, "origin": [ 17.187, -18.435, 41.119 ], "x_axis": [ 0.667, -0.629, -0.400 ], "y_axis": [ 0.676, 0.736, -0.030 ], "z_axis": [ 0.313, -0.250, 0.916 ], "quaternion": [ 0.911, 0.060, 0.196, -0.358 ] } }, { "index": 13, "nt1": "///B/15", "nt2": "///C/3", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -122.372, "conf1": "anti", "pucker1": "~C3'-endo", "lambda1": 65.938, "chi2": -103.488, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 52.613, "C1C1_dist": 10.551, "N1N9_dist": 9.049, "C6C8_dist": 10.221, "CNNC_torsion": -7.929, "hbonds_num": 3, "hbonds_desc": "N1(imino)-N3[3.17],N2(amino)-O2(carbonyl)[2.68],N2(amino)-N3[2.69]", "interBase_angle": 7.790, "planarity": 0.105, "simple_Shear": 1.015, "simple_Stretch": 0.290, "simple_Buckle": 3.584, "simple_Propeller": -6.916, "bp_simpleParams": [ 1.015, 0.290, 0.244, 3.584, -6.916, 10.849 ], "bp_params": [ 1.040, 0.180, 0.244, 2.825, -7.259, 10.867 ], "frame": { "rmsd": null, "origin": [ 19.110, -18.808, 43.993 ], "x_axis": [ 0.924, 0.053, -0.379 ], "y_axis": [ 0.065, 0.954, 0.292 ], "z_axis": [ 0.377, -0.294, 0.878 ], "quaternion": [ 0.969, 0.151, 0.195, -0.003 ] } } ], "num_helices": 1, "helices": [ { "index": 1, "num_stems": 2, "strand1": "GTAGACTCGGACG", "strand2": "CATCcGAGCCTGC", "bp_type": "||||.||||||||", "helix_form": "BBBBBB..BBBB", "helical_rise": 3.018, "helical_rise_std": 1.235, "helical_radius": 9.535, "helical_radius_std": 1.410, "helical_axis": [ 0.818, -0.272, 0.507 ], "point1": [ -8.750, -8.669, 21.001 ], "point2": [ 20.421, -18.372, 39.102 ], "num_pairs": 13, "pairs": [ { "index": 1, "nt1": "///B/3", "nt2": "///C/15", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.406, 0.218, 0.132, -2.296, -15.560, 6.984 ], "step_params": [ 0.579, -0.117, 3.138, -0.538, -3.550, 34.692 ], "heli_params": [ 0.322, -1.045, 3.125, -5.934, 0.899, 34.872 ], "bp2_params": [ 0.011, -0.161, 0.254, 2.265, -8.215, 2.823 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.138, "simple_Twist": 37.132, "simple_hRise": 3.127, "simple_hTwist": 37.299 }, { "index": 2, "nt1": "///B/4", "nt2": "///C/14", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.011, -0.161, 0.254, 2.265, -8.215, 2.823 ], "step_params": [ -0.760, 0.176, 3.095, 0.281, 2.028, 35.621 ], "heli_params": [ 0.010, 1.279, 3.094, 3.311, -0.458, 35.678 ], "bp2_params": [ 0.293, -0.102, 0.144, 9.818, -11.255, -1.884 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.095, "simple_Twist": 34.048, "simple_hRise": 3.093, "simple_hTwist": 34.107 }, { "index": 3, "nt1": "///B/5", "nt2": "///C/13", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.293, -0.102, 0.144, 9.818, -11.255, -1.884 ], "step_params": [ 0.009, -0.546, 3.578, -0.546, 6.287, 33.573 ], "heli_params": [ -2.005, -0.109, 3.422, 10.766, 0.935, 34.144 ], "bp2_params": [ -0.147, -0.164, -0.131, -2.655, -16.504, 0.767 ], "groove_widths": [ 11.114, null, 17.314, null ], "simple_Rise": 3.578, "simple_Twist": 35.800, "simple_hRise": 3.436, "simple_hTwist": 36.334 }, { "index": 4, "nt1": "///B/6", "nt2": "///C/12", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.147, -0.164, -0.131, -2.655, -16.504, 0.767 ], "step_params": [ -0.398, -0.129, 3.244, -3.559, 4.095, 38.274 ], "heli_params": [ -0.697, 0.165, 3.236, 6.207, 5.395, 38.642 ], "bp2_params": [ -0.159, -0.053, -0.063, -8.413, -15.697, 1.028 ], "groove_widths": [ 11.375, 11.114, 17.138, 17.090 ], "simple_Rise": 3.244, "simple_Twist": 38.032, "simple_hRise": 3.236, "simple_hTwist": 38.403 }, { "index": 5, "nt1": "///B/7", "nt2": "///C/11", "bp": "A-c", "name": "--", "Saenger": "--", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.159, -0.053, -0.063, -8.413, -15.697, 1.028 ], "step_params": [ 0.549, -0.358, 3.355, -1.591, 0.474, 34.328 ], "heli_params": [ -0.681, -1.184, 3.322, 0.803, 2.694, 34.367 ], "bp2_params": [ 0.080, -0.011, 0.186, -11.935, -6.431, 1.498 ], "groove_widths": [ 14.488, 13.890, 16.891, 16.162 ], "simple_Rise": 3.355, "simple_Twist": 32.907, "simple_hRise": 3.320, "simple_hTwist": 32.947 }, { "index": 6, "nt1": "///B/8", "nt2": "///C/10", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.080, -0.011, 0.186, -11.935, -6.431, 1.498 ], "step_params": [ -0.261, 0.526, 2.963, 4.347, 9.868, 23.886 ], "heli_params": [ -1.335, 1.675, 2.860, 22.436, -9.883, 26.175 ], "bp2_params": [ 0.027, -0.083, -0.150, 4.044, -0.766, 3.731 ], "groove_widths": [ 18.871, 17.711, 16.183, 15.161 ], "simple_Rise": 2.963, "simple_Twist": 24.631, "simple_hRise": 2.870, "simple_hTwist": 26.854 }, { "index": 7, "nt1": "///B/9", "nt2": "///C/9", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.027, -0.083, -0.150, 4.044, -0.766, 3.731 ], "step_params": [ 1.462, 1.687, 5.606, -1.466, 37.403, 30.458 ], "heli_params": [ -3.890, -2.034, 4.869, 52.173, 2.044, 47.911 ], "bp2_params": [ 0.440, 0.006, 0.652, -35.250, 10.327, -2.029 ], "groove_widths": [ 21.834, 20.344, 17.932, 16.401 ], "simple_Rise": 5.606, "simple_Twist": 28.898, "simple_hRise": 4.780, "simple_hTwist": 46.970 }, { "index": 8, "nt1": "///B/10", "nt2": "///C/8", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.440, 0.006, 0.652, -35.250, 10.327, -2.029 ], "step_params": [ 0.003, 1.532, 2.386, 0.383, 9.271, 14.049 ], "heli_params": [ -0.092, 0.210, 2.835, 33.539, -1.384, 16.823 ], "bp2_params": [ -0.267, -0.141, 0.324, 10.701, 8.903, -0.050 ], "groove_widths": [ 20.528, 19.310, 17.492, 16.629 ], "simple_Rise": 2.386, "simple_Twist": 17.129, "simple_hRise": 2.826, "simple_hTwist": 19.464 }, { "index": 9, "nt1": "///B/11", "nt2": "///C/7", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.267, -0.141, 0.324, 10.701, 8.903, -0.050 ], "step_params": [ -1.041, 0.667, 3.381, -1.321, 7.617, 35.262 ], "heli_params": [ -0.069, 1.482, 3.481, 12.391, 2.149, 36.073 ], "bp2_params": [ -0.370, -0.009, 0.270, 13.798, -9.597, 1.015 ], "groove_widths": [ 16.787, 16.150, 17.673, 17.611 ], "simple_Rise": 3.381, "simple_Twist": 36.190, "simple_hRise": 3.480, "simple_hTwist": 36.979 }, { "index": 10, "nt1": "///B/12", "nt2": "///C/6", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.370, -0.009, 0.270, 13.798, -9.597, 1.015 ], "step_params": [ -0.094, -0.144, 3.445, -0.468, -0.265, 39.379 ], "heli_params": [ -0.180, 0.081, 3.447, -0.393, 0.694, 39.383 ], "bp2_params": [ 0.407, -0.000, 0.120, 8.343, -15.991, -1.021 ], "groove_widths": [ 13.536, null, 16.415, null ], "simple_Rise": 3.445, "simple_Twist": 35.177, "simple_hRise": 3.447, "simple_hTwist": 35.181 }, { "index": 11, "nt1": "///B/13", "nt2": "///C/5", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.407, -0.000, 0.120, 8.343, -15.991, -1.021 ], "step_params": [ 0.344, -0.717, 3.404, 2.866, 0.235, 34.351 ], "heli_params": [ -1.248, -0.115, 3.416, 0.398, -4.842, 34.467 ], "bp2_params": [ 0.682, -0.021, -0.211, 2.411, -10.049, -0.119 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.404, "simple_Twist": 32.676, "simple_hRise": 3.416, "simple_hTwist": 32.799 }, { "index": 12, "nt1": "///B/14", "nt2": "///C/4", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.682, -0.021, -0.211, 2.411, -10.049, -0.119 ], "step_params": [ 0.543, 0.774, 3.347, 1.134, 4.829, 42.525 ], "heli_params": [ 0.560, -0.626, 3.423, 6.630, -1.557, 42.800 ], "bp2_params": [ 1.040, 0.180, 0.244, 2.825, -7.259, 10.867 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.347, "simple_Twist": 40.566, "simple_hRise": 3.426, "simple_hTwist": 40.856 }, { "index": 13, "nt1": "///B/15", "nt2": "///C/3", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W" } ] } ], "num_stems": 2, "stems": [ { "index": 1, "helix_index": 1, "strand1": "GTAG", "strand2": "CATC", "bp_type": "||||", "helix_form": "BBB", "helical_rise": 3.398, "helical_rise_std": 0.159, "helical_radius": 9.354, "helical_radius_std": 0.519, "helical_axis": [ 0.927, -0.352, 0.133 ], "point1": [ -10.789, -7.666, 23.191 ], "point2": [ -1.229, -11.294, 24.567 ], "num_pairs": 4, "pairs": [ { "index": 1, "nt1": "///B/3", "nt2": "///C/15", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.406, 0.218, 0.132, -2.296, -15.560, 6.984 ], "step_params": [ 0.579, -0.117, 3.138, -0.538, -3.550, 34.692 ], "heli_params": [ 0.322, -1.045, 3.125, -5.934, 0.899, 34.872 ], "bp2_params": [ 0.011, -0.161, 0.254, 2.265, -8.215, 2.823 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.138, "simple_Twist": 37.132, "simple_hRise": 3.127, "simple_hTwist": 37.299 }, { "index": 2, "nt1": "///B/4", "nt2": "///C/14", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.011, -0.161, 0.254, 2.265, -8.215, 2.823 ], "step_params": [ -0.760, 0.176, 3.095, 0.281, 2.028, 35.621 ], "heli_params": [ 0.010, 1.279, 3.094, 3.311, -0.458, 35.678 ], "bp2_params": [ 0.293, -0.102, 0.144, 9.818, -11.255, -1.884 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.095, "simple_Twist": 34.048, "simple_hRise": 3.093, "simple_hTwist": 34.107 }, { "index": 3, "nt1": "///B/5", "nt2": "///C/13", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.293, -0.102, 0.144, 9.818, -11.255, -1.884 ], "step_params": [ 0.009, -0.546, 3.578, -0.546, 6.287, 33.573 ], "heli_params": [ -2.005, -0.109, 3.422, 10.766, 0.935, 34.144 ], "bp2_params": [ -0.147, -0.164, -0.131, -2.655, -16.504, 0.767 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.578, "simple_Twist": 35.800, "simple_hRise": 3.436, "simple_hTwist": 36.334 }, { "index": 4, "nt1": "///B/6", "nt2": "///C/12", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W" } ] }, { "index": 2, "helix_index": 1, "strand1": "CTCGGACG", "strand2": "GAGCCTGC", "bp_type": "||||||||", "helix_form": "B..BBBB", "helical_rise": 3.632, "helical_rise_std": 1.079, "helical_radius": 9.244, "helical_radius_std": 0.850, "helical_axis": [ 0.528, -0.253, 0.811 ], "point1": [ 5.863, -12.594, 22.497 ], "point2": [ 19.392, -19.085, 43.260 ], "num_pairs": 8, "pairs": [ { "index": 1, "nt1": "///B/8", "nt2": "///C/10", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.080, -0.011, 0.186, -11.935, -6.431, 1.498 ], "step_params": [ -0.261, 0.526, 2.963, 4.347, 9.868, 23.886 ], "heli_params": [ -1.335, 1.675, 2.860, 22.436, -9.883, 26.175 ], "bp2_params": [ 0.027, -0.083, -0.150, 4.044, -0.766, 3.731 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 2.963, "simple_Twist": 24.631, "simple_hRise": 2.870, "simple_hTwist": 26.854 }, { "index": 2, "nt1": "///B/9", "nt2": "///C/9", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.027, -0.083, -0.150, 4.044, -0.766, 3.731 ], "step_params": [ 1.462, 1.687, 5.606, -1.466, 37.403, 30.458 ], "heli_params": [ -3.890, -2.034, 4.869, 52.173, 2.044, 47.911 ], "bp2_params": [ 0.440, 0.006, 0.652, -35.250, 10.327, -2.029 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 5.606, "simple_Twist": 28.898, "simple_hRise": 4.780, "simple_hTwist": 46.970 }, { "index": 3, "nt1": "///B/10", "nt2": "///C/8", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.440, 0.006, 0.652, -35.250, 10.327, -2.029 ], "step_params": [ 0.003, 1.532, 2.386, 0.383, 9.271, 14.049 ], "heli_params": [ -0.092, 0.210, 2.835, 33.539, -1.384, 16.823 ], "bp2_params": [ -0.267, -0.141, 0.324, 10.701, 8.903, -0.050 ], "groove_widths": [ 20.528, null, 17.492, null ], "simple_Rise": 2.386, "simple_Twist": 17.129, "simple_hRise": 2.826, "simple_hTwist": 19.464 }, { "index": 4, "nt1": "///B/11", "nt2": "///C/7", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.267, -0.141, 0.324, 10.701, 8.903, -0.050 ], "step_params": [ -1.041, 0.667, 3.381, -1.321, 7.617, 35.262 ], "heli_params": [ -0.069, 1.482, 3.481, 12.391, 2.149, 36.073 ], "bp2_params": [ -0.370, -0.009, 0.270, 13.798, -9.597, 1.015 ], "groove_widths": [ 16.787, 16.150, 17.673, 17.611 ], "simple_Rise": 3.381, "simple_Twist": 36.190, "simple_hRise": 3.480, "simple_hTwist": 36.979 }, { "index": 5, "nt1": "///B/12", "nt2": "///C/6", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.370, -0.009, 0.270, 13.798, -9.597, 1.015 ], "step_params": [ -0.094, -0.144, 3.445, -0.468, -0.265, 39.379 ], "heli_params": [ -0.180, 0.081, 3.447, -0.393, 0.694, 39.383 ], "bp2_params": [ 0.407, -0.000, 0.120, 8.343, -15.991, -1.021 ], "groove_widths": [ 13.536, null, 16.415, null ], "simple_Rise": 3.445, "simple_Twist": 35.177, "simple_hRise": 3.447, "simple_hTwist": 35.181 }, { "index": 6, "nt1": "///B/13", "nt2": "///C/5", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.407, -0.000, 0.120, 8.343, -15.991, -1.021 ], "step_params": [ 0.344, -0.717, 3.404, 2.866, 0.235, 34.351 ], "heli_params": [ -1.248, -0.115, 3.416, 0.398, -4.842, 34.467 ], "bp2_params": [ 0.682, -0.021, -0.211, 2.411, -10.049, -0.119 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.404, "simple_Twist": 32.676, "simple_hRise": 3.416, "simple_hTwist": 32.799 }, { "index": 7, "nt1": "///B/14", "nt2": "///C/4", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.682, -0.021, -0.211, 2.411, -10.049, -0.119 ], "step_params": [ 0.543, 0.774, 3.347, 1.134, 4.829, 42.525 ], "heli_params": [ 0.560, -0.626, 3.423, 6.630, -1.557, 42.800 ], "bp2_params": [ 1.040, 0.180, 0.244, 2.825, -7.259, 10.867 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.347, "simple_Twist": 40.566, "simple_hRise": 3.426, "simple_hTwist": 40.856 }, { "index": 8, "nt1": "///B/15", "nt2": "///C/3", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W" } ] } ], "num_coaxStacks": 1, "coaxStacks": [ { "index": 1, "helix_index": 1, "num_stems": 2, "stem_indices": [ 1, 2 ] } ], "num_stacks": 3, "stacks": [ { "index": 1, "num_nts": 3, "nts_short": "AGG", "nts_long": "///B/1,///B/2,///B/3" }, { "index": 2, "num_nts": 3, "nts_short": "GAC", "nts_long": "///B/6,///B/7,///B/8" }, { "index": 3, "num_nts": 3, "nts_short": "GcC", "nts_long": "///C/10,///C/11,///C/12" } ], "num_iloops": 1, "iloops": [ { "index": 1, "type": "symmetric internal loop", "bridging_nts": [ 1, 1 ], "stem_indices": [ 1, 2 ], "summary": "[2] 1 1 [B.6 C.12 B.8 C.10] 4 8", "num_nts": 6, "nts_short": "GACGcC", "nts_long": "///B/6,///B/7,///B/8,///C/10,///C/11,///C/12", "num_stems": 2, "bridges": [ { "index": 1, "num_nts": 1, "nts_short": "A", "nts_long": "///B/7" }, { "index": 2, "num_nts": 1, "nts_short": "c", "nts_long": "///C/11" } ] } ], "num_ssSegments": 1, "ssSegments": [ { "index": 1, "num_nts": 2, "nts_short": "AG", "nts_long": "///B/1,///B/2" } ], "dbn": { "all_chains": { "num_nts": 28, "num_chars": 29, "bseq": "AGGTAGACTCGGACG&CGTCCGAGcCTAC", "bseqUP": "AGGTAGACTCGGACG&CGTCCGAGCCTAC", "sstr": "..((((.((((((((&)))))))).))))", "form": "..BBBB.B...BB.-&B.BB..BBBBBB-" }, "chain_B": { "num_nts": 15, "num_chars": 15, "bseq": "AGGTAGACTCGGACG", "bseqUP": "AGGTAGACTCGGACG", "sstr": "..((((.((((((((", "form": "..BBBB.B...BB.-" }, "chain_C": { "num_nts": 13, "num_chars": 13, "bseq": "CGTCCGAGcCTAC", "bseqUP": "CGTCCGAGCCTAC", "sstr": ")))))))).))))", "form": "B.BB..BBBBBB-" } }, "chains": { "chain_B": { "num_nts": 15, "bseq": "AGGTAGACTCGGACG", "sstr": "..((((.((((((((", "form": "..BBBB.B...BB.-", "helical_rise": 3.114, "helical_rise_std": 1.179, "helical_axis": [ 0.564, -0.420, 0.711 ], "point1": [ -7.976, -2.018, 11.779 ], "point2": [ 16.790, -20.442, 43.000 ], "num_chars": 43, "suite": "A!!G4bG!!T1bA!!G!!A!!C1aT1aC1bG4bG!!A!!C!!G" }, "chain_C": { "num_nts": 13, "bseq": "CGTCCGAGcCTAC", "sstr": ")))))))).))))", "form": "B.BB..BBBBBB-", "helical_rise": 2.886, "helical_rise_std": 0.810, "helical_axis": [ -0.884, 0.347, -0.312 ], "point1": [ 20.449, -21.164, 33.517 ], "point2": [ -9.707, -9.339, 22.864 ], "num_chars": 37, "suite": "C!!G!!T!!C!!C1bG4bA!!G!!c!!C!!T!!A!!C" } }, "num_nts": 28, "nts": [ { "index": 1, "index_chain": 1, "chain_name": "B", "nt_resnum": 1, "nt_name": "DA", "nt_code": "A", "nt_id": "///B/1", "linked_nts": [ null, "///B/2" ], "nt_type": "DNA", "dbn": ".", "summary": "anti,~C2'-endo,BI,non-pair-contact,ss-non-loop", "alpha": null, "beta": 90.181, "gamma": 62.633, "delta": 132.153, "epsilon": -163.961, "zeta": -81.313, "epsilon_zeta": -82.649, "bb_type": "BI", "chi": -105.266, "glyco_bond": "anti", "C5prime_xyz": [ -2.199, 8.191, -2.058 ], "P_xyz": [ 0.134, 7.028, -2.317 ], "form": ".", "ssZp": 2.107, "Dp": 2.333, "splay_angle": 28.055, "splay_distance": 4.852, "splay_ratio": 0.242, "d22": null, "d64": null, "eta": null, "theta": -80.747, "eta_prime": null, "theta_prime": -123.053, "eta_base": null, "theta_base": -83.025, "v0": -21.819, "v1": 29.681, "v2": -26.016, "v3": 14.029, "v4": 4.770, "amplitude": 29.414, "phase_angle": 152.186, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "inc", "cluster": "__", "suiteness": 0.000, "filter_rmsd": 0.037, "frame": { "rmsd": 0.003, "origin": [ -17.568, -3.874, 23.307 ], "x_axis": [ -0.056, -0.891, 0.450 ], "y_axis": [ 0.135, -0.453, -0.881 ], "z_axis": [ 0.989, 0.012, 0.146 ], "quaternion": [ -0.399, 0.559, -0.338, 0.643 ] } }, { "index": 2, "index_chain": 2, "chain_name": "B", "nt_resnum": 2, "nt_name": "DG", "nt_code": "G", "nt_id": "///B/2", "linked_nts": [ "///B/1", "///B/3" ], "nt_type": "DNA", "dbn": ".", "summary": "anti,~C2'-endo,BII,non-pair-contact,ss-non-loop", "alpha": -50.750, "beta": 169.204, "gamma": 39.744, "delta": 146.350, "epsilon": -100.214, "zeta": 167.099, "epsilon_zeta": 92.687, "bb_type": "BII", "chi": -89.829, "glyco_bond": "anti", "C5prime_xyz": [ -3.293, 7.892, -2.307 ], "P_xyz": [ -1.355, 9.542, -2.939 ], "form": ".", "ssZp": 1.259, "Dp": 1.252, "splay_angle": 23.096, "splay_distance": 3.859, "splay_ratio": 0.208, "d22": null, "d64": null, "eta": -175.957, "theta": 176.739, "eta_prime": -137.362, "theta_prime": 174.327, "eta_base": -93.457, "theta_base": -117.335, "v0": -33.958, "v1": 47.888, "v2": -42.806, "v3": 24.647, "v4": 5.591, "amplitude": 47.419, "phase_angle": 154.517, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.004, "frame": { "rmsd": 0.004, "origin": [ -14.356, -7.508, 23.191 ], "x_axis": [ -0.258, -0.924, -0.281 ], "y_axis": [ 0.278, 0.207, -0.938 ], "z_axis": [ 0.925, -0.320, 0.203 ], "quaternion": [ 0.537, -0.288, 0.562, -0.560 ] } }, { "index": 3, "index_chain": 3, "chain_name": "B", "nt_resnum": 3, "nt_name": "DG", "nt_code": "G", "nt_id": "///B/3", "linked_nts": [ "///B/2", "///B/4" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix-end,stem-end,coaxial-stack", "alpha": -66.357, "beta": 137.464, "gamma": 44.663, "delta": 139.435, "epsilon": -166.952, "zeta": -98.577, "epsilon_zeta": -68.375, "bb_type": "BI", "chi": -108.886, "glyco_bond": "anti", "C5prime_xyz": [ -1.947, 8.312, -1.882 ], "P_xyz": [ 0.656, 8.564, -1.732 ], "form": "B", "ssZp": 1.734, "Dp": 1.809, "splay_angle": 18.261, "splay_distance": 3.237, "splay_ratio": 0.161, "d22": null, "d64": null, "eta": 167.654, "theta": -118.420, "eta_prime": -164.471, "theta_prime": -150.072, "eta_base": -99.863, "theta_base": -109.624, "v0": -18.581, "v1": 31.988, "v2": -32.823, "v3": 22.936, "v4": -2.920, "amplitude": 33.791, "phase_angle": 166.254, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "4b", "suiteness": 0.461, "filter_rmsd": 0.005, "frame": { "rmsd": 0.005, "origin": [ -10.592, -8.120, 22.595 ], "x_axis": [ 0.118, -0.477, -0.871 ], "y_axis": [ 0.308, 0.851, -0.425 ], "z_axis": [ 0.944, -0.218, 0.248 ], "quaternion": [ 0.745, -0.070, 0.609, -0.264 ] } }, { "index": 4, "index_chain": 4, "chain_name": "B", "nt_resnum": 4, "nt_name": "DT", "nt_code": "T", "nt_id": "///B/4", "linked_nts": [ "///B/3", "///B/5" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,BI,canonical,non-pair-contact,helix,stem,coaxial-stack,phosphate", "alpha": -62.977, "beta": 163.729, "gamma": 48.750, "delta": 97.882, "epsilon": 174.941, "zeta": -100.244, "epsilon_zeta": -84.815, "bb_type": "BI", "chi": -123.875, "glyco_bond": "anti", "C5prime_xyz": [ -2.949, 8.511, -1.722 ], "P_xyz": [ -0.921, 10.041, -2.244 ], "form": "B", "ssZp": 2.690, "Dp": 2.859, "splay_angle": 18.499, "splay_distance": 3.103, "splay_ratio": 0.164, "d22": null, "d64": null, "eta": 163.109, "theta": 179.994, "eta_prime": -177.237, "theta_prime": -179.134, "eta_base": -127.378, "theta_base": -141.912, "v0": -36.961, "v1": 21.776, "v2": 0.331, "v3": -21.679, "v4": 36.737, "amplitude": 38.067, "phase_angle": 89.501, "puckering": "O4'-endo", "sugar_class": "--", "bin": "23p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.101, "frame": { "rmsd": 0.007, "origin": [ -7.612, -9.363, 22.822 ], "x_axis": [ 0.292, 0.045, -0.955 ], "y_axis": [ 0.276, 0.952, 0.129 ], "z_axis": [ 0.916, -0.301, 0.266 ], "quaternion": [ 0.792, 0.136, 0.590, -0.073 ] } }, { "index": 5, "index_chain": 5, "chain_name": "B", "nt_resnum": 5, "nt_name": "DA", "nt_code": "A", "nt_id": "///B/5", "linked_nts": [ "///B/4", "///B/6" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,coaxial-stack", "alpha": -50.862, "beta": 174.031, "gamma": 53.969, "delta": 139.928, "epsilon": -179.670, "zeta": -97.213, "epsilon_zeta": -82.457, "bb_type": "BI", "chi": -109.283, "glyco_bond": "anti", "C5prime_xyz": [ -1.882, 8.261, -1.744 ], "P_xyz": [ 0.608, 8.949, -1.527 ], "form": "B", "ssZp": 1.999, "Dp": 2.055, "splay_angle": 20.488, "splay_distance": 3.485, "splay_ratio": 0.179, "d22": null, "d64": null, "eta": 171.820, "theta": -132.611, "eta_prime": -161.839, "theta_prime": -152.062, "eta_base": -124.411, "theta_base": -112.991, "v0": -16.351, "v1": 29.196, "v2": -30.389, "v3": 21.636, "v4": -3.525, "amplitude": 31.102, "phase_angle": 167.703, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "32p", "cluster": "1b", "suiteness": 0.069, "filter_rmsd": 0.039, "frame": { "rmsd": 0.006, "origin": [ -4.858, -10.174, 23.998 ], "x_axis": [ 0.390, 0.557, -0.733 ], "y_axis": [ 0.188, 0.731, 0.656 ], "z_axis": [ 0.902, -0.393, 0.180 ], "quaternion": [ 0.759, 0.346, 0.539, 0.122 ] } }, { "index": 6, "index_chain": 6, "chain_name": "B", "nt_resnum": 6, "nt_name": "DG", "nt_code": "G", "nt_id": "///B/6", "linked_nts": [ "///B/5", "///B/7" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem-end,coaxial-stack,internal-loop", "alpha": -56.638, "beta": -179.316, "gamma": 45.136, "delta": 139.240, "epsilon": -178.319, "zeta": -108.983, "epsilon_zeta": -69.336, "bb_type": "BI", "chi": -112.072, "glyco_bond": "anti", "C5prime_xyz": [ -2.213, 8.443, -1.703 ], "P_xyz": [ -0.065, 9.845, -1.284 ], "form": "B", "ssZp": 1.992, "Dp": 2.058, "splay_angle": 20.199, "splay_distance": 3.310, "splay_ratio": 0.176, "d22": null, "d64": null, "eta": 166.015, "theta": -149.099, "eta_prime": -165.515, "theta_prime": -159.570, "eta_base": -118.429, "theta_base": -115.144, "v0": -25.126, "v1": 37.140, "v2": -34.826, "v3": 21.329, "v4": 2.166, "amplitude": 37.537, "phase_angle": 158.093, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.006, "frame": { "rmsd": 0.006, "origin": [ -1.591, -11.386, 24.102 ], "x_axis": [ 0.342, 0.908, -0.243 ], "y_axis": [ -0.085, 0.287, 0.954 ], "z_axis": [ 0.936, -0.305, 0.175 ], "quaternion": [ 0.671, 0.469, 0.439, 0.370 ] } }, { "index": 7, "index_chain": 7, "chain_name": "B", "nt_resnum": 7, "nt_name": "DA", "nt_code": "A", "nt_id": "///B/7", "linked_nts": [ "///B/6", "///B/8" ], "nt_type": "DNA", "dbn": ".", "summary": "anti,~C2'-endo,BI,non-canonical,non-pair-contact,helix,internal-loop", "alpha": -57.528, "beta": -174.307, "gamma": 45.514, "delta": 139.387, "epsilon": -173.062, "zeta": -93.009, "epsilon_zeta": -80.052, "bb_type": "BI", "chi": -107.925, "glyco_bond": "anti", "C5prime_xyz": [ -1.962, 8.216, -1.826 ], "P_xyz": [ 0.289, 9.420, -1.291 ], "form": ".", "ssZp": 1.745, "Dp": 1.863, "splay_angle": 19.441, "splay_distance": 3.561, "splay_ratio": 0.175, "d22": null, "d64": null, "eta": 173.061, "theta": -126.579, "eta_prime": -165.713, "theta_prime": -145.712, "eta_base": -117.103, "theta_base": -101.957, "v0": -15.489, "v1": 28.616, "v2": -30.265, "v3": 22.169, "v4": -4.409, "amplitude": 30.796, "phase_angle": 169.344, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.036, "frame": { "rmsd": 0.006, "origin": [ 1.593, -12.224, 24.440 ], "x_axis": [ 0.167, 0.901, 0.401 ], "y_axis": [ -0.280, -0.347, 0.895 ], "z_axis": [ 0.945, -0.262, 0.195 ], "quaternion": [ 0.504, 0.574, 0.270, 0.586 ] } }, { "index": 8, "index_chain": 8, "chain_name": "B", "nt_resnum": 8, "nt_name": "DC", "nt_code": "C", "nt_id": "///B/8", "linked_nts": [ "///B/7", "///B/9" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,BI,canonical,non-pair-contact,helix,stem-end,coaxial-stack,internal-loop", "alpha": -51.773, "beta": 165.589, "gamma": 37.995, "delta": 95.884, "epsilon": -162.651, "zeta": -90.688, "epsilon_zeta": -71.963, "bb_type": "BI", "chi": -128.675, "glyco_bond": "anti", "C5prime_xyz": [ -2.756, 8.705, -1.613 ], "P_xyz": [ -0.843, 10.469, -1.721 ], "form": "B", "ssZp": 2.587, "Dp": 2.889, "splay_angle": 16.291, "splay_distance": 2.846, "splay_ratio": 0.143, "d22": 4.415, "d64": 3.441, "eta": 167.536, "theta": -158.971, "eta_prime": -177.070, "theta_prime": -159.288, "eta_base": -124.674, "theta_base": -132.851, "v0": -39.888, "v1": 23.736, "v2": -0.143, "v3": -22.874, "v4": 39.308, "amplitude": 40.877, "phase_angle": 90.200, "puckering": "O4'-endo", "sugar_class": "--", "bin": "23p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.062, "frame": { "rmsd": 0.004, "origin": [ 5.041, -11.886, 25.264 ], "x_axis": [ -0.053, 0.550, 0.833 ], "y_axis": [ -0.316, -0.801, 0.509 ], "z_axis": [ 0.947, -0.236, 0.216 ], "quaternion": [ 0.301, 0.619, 0.095, 0.719 ] } }, { "index": 9, "index_chain": 9, "chain_name": "B", "nt_resnum": 9, "nt_name": "DT", "nt_code": "T", "nt_id": "///B/9", "linked_nts": [ "///B/8", "///B/10" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C3'-endo,BI,canonical,non-pair-contact,helix,stem,coaxial-stack", "alpha": -67.732, "beta": 169.821, "gamma": 43.904, "delta": 89.091, "epsilon": -144.639, "zeta": -80.741, "epsilon_zeta": -63.898, "bb_type": "BI", "chi": -114.180, "glyco_bond": "anti", "C5prime_xyz": [ -2.578, 8.272, -2.083 ], "P_xyz": [ -0.328, 9.318, -2.899 ], "form": ".", "ssZp": 1.899, "Dp": 3.805, "splay_angle": 36.905, "splay_distance": 6.424, "splay_ratio": 0.318, "d22": 4.401, "d64": 3.962, "eta": 164.320, "theta": -141.504, "eta_prime": 173.091, "theta_prime": -137.112, "eta_base": -156.080, "theta_base": -111.056, "v0": -22.736, "v1": 1.280, "v2": 19.159, "v3": -33.023, "v4": 34.906, "amplitude": 35.491, "phase_angle": 57.327, "puckering": "C4'-exo", "sugar_class": "~C3'-endo", "bin": "33p", "cluster": "1a", "suiteness": 0.313, "filter_rmsd": 0.102, "frame": { "rmsd": 0.007, "origin": [ 7.707, -12.599, 25.959 ], "x_axis": [ -0.322, 0.169, 0.931 ], "y_axis": [ -0.007, -0.984, 0.176 ], "z_axis": [ 0.947, 0.050, 0.318 ], "quaternion": [ 0.054, 0.580, 0.070, 0.810 ] } }, { "index": 10, "index_chain": 10, "chain_name": "B", "nt_resnum": 10, "nt_name": "DC", "nt_code": "C", "nt_id": "///B/10", "linked_nts": [ "///B/9", "///B/11" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C3'-endo,BI,canonical,non-pair-contact,helix,stem,coaxial-stack", "alpha": -59.659, "beta": 172.287, "gamma": 50.948, "delta": 91.043, "epsilon": -168.891, "zeta": -84.675, "epsilon_zeta": -84.217, "bb_type": "BI", "chi": -129.221, "glyco_bond": "anti", "C5prime_xyz": [ -1.863, 8.743, -1.453 ], "P_xyz": [ 0.596, 9.584, -1.786 ], "form": ".", "ssZp": 2.837, "Dp": 3.649, "splay_angle": 14.456, "splay_distance": 2.673, "splay_ratio": 0.141, "d22": null, "d64": null, "eta": 173.111, "theta": -162.552, "eta_prime": -168.817, "theta_prime": -155.920, "eta_base": -140.912, "theta_base": -142.880, "v0": -19.111, "v1": -1.192, "v2": 19.576, "v3": -30.898, "v4": 31.325, "amplitude": 32.578, "phase_angle": 53.065, "puckering": "C4'-exo", "sugar_class": "~C3'-endo", "bin": "33p", "cluster": "1a", "suiteness": 0.628, "filter_rmsd": 0.066, "frame": { "rmsd": 0.005, "origin": [ 11.348, -14.599, 30.859 ], "x_axis": [ -0.851, -0.278, 0.445 ], "y_axis": [ 0.055, -0.890, -0.452 ], "z_axis": [ 0.522, -0.361, 0.773 ], "quaternion": [ -0.089, 0.258, -0.217, 0.937 ] } }, { "index": 11, "index_chain": 11, "chain_name": "B", "nt_resnum": 11, "nt_name": "DG", "nt_code": "G", "nt_id": "///B/11", "linked_nts": [ "///B/10", "///B/12" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,canonical,non-pair-contact,helix,stem,coaxial-stack,phosphate", "alpha": -58.726, "beta": 173.710, "gamma": 56.825, "delta": 159.005, "epsilon": -141.104, "zeta": -175.876, "epsilon_zeta": 34.771, "bb_type": "--", "chi": -82.898, "glyco_bond": "anti", "C5prime_xyz": [ -2.672, 7.571, -2.542 ], "P_xyz": [ -0.229, 8.265, -3.136 ], "form": ".", "ssZp": 1.547, "Dp": 1.563, "splay_angle": 21.245, "splay_distance": 3.592, "splay_ratio": 0.195, "d22": null, "d64": null, "eta": 173.558, "theta": -167.575, "eta_prime": -148.962, "theta_prime": 174.303, "eta_base": -138.747, "theta_base": -144.575, "v0": -20.591, "v1": 39.624, "v2": -42.607, "v3": 32.389, "v4": -7.559, "amplitude": 43.113, "phase_angle": 171.214, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "32p", "cluster": "1b", "suiteness": 0.338, "filter_rmsd": 0.008, "frame": { "rmsd": 0.008, "origin": [ 13.153, -15.976, 32.270 ], "x_axis": [ -0.826, -0.513, 0.233 ], "y_axis": [ 0.470, -0.855, -0.219 ], "z_axis": [ 0.311, -0.071, 0.948 ], "quaternion": [ -0.258, 0.143, -0.076, 0.952 ] } }, { "index": 12, "index_chain": 12, "chain_name": "B", "nt_resnum": 12, "nt_name": "DG", "nt_code": "G", "nt_id": "///B/12", "linked_nts": [ "///B/11", "///B/13" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,coaxial-stack", "alpha": -46.745, "beta": 154.852, "gamma": 35.311, "delta": 148.140, "epsilon": 172.108, "zeta": -100.239, "epsilon_zeta": -87.653, "bb_type": "BI", "chi": -96.564, "glyco_bond": "anti", "C5prime_xyz": [ -1.746, 7.890, -2.218 ], "P_xyz": [ 0.784, 8.344, -1.862 ], "form": "B", "ssZp": 1.593, "Dp": 1.719, "splay_angle": 20.419, "splay_distance": 3.383, "splay_ratio": 0.177, "d22": null, "d64": null, "eta": 164.686, "theta": -127.390, "eta_prime": -170.787, "theta_prime": -154.790, "eta_base": -132.178, "theta_base": -107.264, "v0": -10.209, "v1": 28.568, "v2": -35.296, "v3": 30.015, "v4": -12.721, "amplitude": 35.320, "phase_angle": 182.087, "puckering": "C3'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "4b", "suiteness": 0.198, "filter_rmsd": 0.009, "frame": { "rmsd": 0.009, "origin": [ 15.543, -16.176, 34.944 ], "x_axis": [ -0.416, -0.909, 0.027 ], "y_axis": [ 0.865, -0.405, -0.296 ], "z_axis": [ 0.280, -0.100, 0.955 ], "quaternion": [ 0.532, -0.092, 0.119, -0.833 ] } }, { "index": 13, "index_chain": 13, "chain_name": "B", "nt_resnum": 13, "nt_name": "DA", "nt_code": "A", "nt_id": "///B/13", "linked_nts": [ "///B/12", "///B/14" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,coaxial-stack", "alpha": -59.658, "beta": -175.119, "gamma": 45.855, "delta": 134.008, "epsilon": 176.973, "zeta": -94.721, "epsilon_zeta": -88.306, "bb_type": "BI", "chi": -104.067, "glyco_bond": "anti", "C5prime_xyz": [ -2.203, 8.169, -2.038 ], "P_xyz": [ 0.106, 9.368, -1.942 ], "form": "B", "ssZp": 2.226, "Dp": 2.310, "splay_angle": 19.109, "splay_distance": 3.322, "splay_ratio": 0.169, "d22": null, "d64": null, "eta": 166.446, "theta": -139.841, "eta_prime": -170.395, "theta_prime": -154.016, "eta_base": -115.343, "theta_base": -112.499, "v0": -20.840, "v1": 29.947, "v2": -27.343, "v3": 16.081, "v4": 2.818, "amplitude": 29.939, "phase_angle": 155.968, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.037, "frame": { "rmsd": 0.004, "origin": [ 16.557, -17.182, 38.011 ], "x_axis": [ 0.209, -0.964, -0.163 ], "y_axis": [ 0.943, 0.243, -0.226 ], "z_axis": [ 0.258, -0.106, 0.960 ], "quaternion": [ 0.777, -0.039, 0.135, -0.614 ] } }, { "index": 14, "index_chain": 14, "chain_name": "B", "nt_resnum": 14, "nt_name": "DC", "nt_code": "C", "nt_id": "///B/14", "linked_nts": [ "///B/13", "///B/15" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,coaxial-stack", "alpha": -55.429, "beta": 176.905, "gamma": 46.086, "delta": 120.522, "epsilon": -170.307, "zeta": -105.882, "epsilon_zeta": -64.426, "bb_type": "BI", "chi": -116.188, "glyco_bond": "anti", "C5prime_xyz": [ -2.465, 8.548, -1.746 ], "P_xyz": [ -0.272, 9.982, -1.802 ], "form": ".", "ssZp": 2.550, "Dp": 2.637, "splay_angle": 22.715, "splay_distance": 3.795, "splay_ratio": 0.205, "d22": null, "d64": null, "eta": 171.463, "theta": -158.119, "eta_prime": -169.646, "theta_prime": -163.018, "eta_base": -120.434, "theta_base": -106.931, "v0": -32.067, "v1": 31.958, "v2": -20.158, "v3": 2.269, "v4": 18.580, "amplitude": 32.981, "phase_angle": 127.678, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.062, "frame": { "rmsd": 0.004, "origin": [ 17.374, -18.631, 40.887 ], "x_axis": [ 0.690, -0.650, -0.318 ], "y_axis": [ 0.683, 0.730, -0.011 ], "z_axis": [ 0.239, -0.209, 0.948 ], "quaternion": [ 0.918, 0.054, 0.152, -0.363 ] } }, { "index": 15, "index_chain": 15, "chain_name": "B", "nt_resnum": 15, "nt_name": "DG", "nt_code": "G", "nt_id": "///B/15", "linked_nts": [ "///B/14", null ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C3'-endo,canonical,non-pair-contact,helix-end,stem-end,coaxial-stack", "alpha": -72.858, "beta": -179.584, "gamma": 48.429, "delta": 98.208, "epsilon": null, "zeta": null, "epsilon_zeta": null, "bb_type": "--", "chi": -122.372, "glyco_bond": "anti", "C5prime_xyz": [ -1.211, 8.279, -1.548 ], "P_xyz": [ 1.395, 8.375, -1.853 ], "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": 9.713, "v1": -22.682, "v2": 26.170, "v3": -21.326, "v4": 7.482, "amplitude": 26.196, "phase_angle": 357.450, "puckering": "C2'-exo", "sugar_class": "~C3'-endo", "bin": "23p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.004, "frame": { "rmsd": 0.004, "origin": [ 19.642, -18.730, 43.929 ], "x_axis": [ 0.948, 0.123, -0.292 ], "y_axis": [ -0.017, 0.939, 0.343 ], "z_axis": [ 0.316, -0.320, 0.893 ], "quaternion": [ 0.972, 0.170, 0.156, 0.036 ] } }, { "index": 16, "index_chain": 1, "chain_name": "C", "nt_resnum": 3, "nt_name": "DC", "nt_code": "C", "nt_id": "///C/3", "linked_nts": [ null, "///C/4" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix-end,stem-end,coaxial-stack", "alpha": null, "beta": -156.457, "gamma": 175.486, "delta": 152.623, "epsilon": 169.478, "zeta": -95.517, "epsilon_zeta": -95.006, "bb_type": "BI", "chi": -103.488, "glyco_bond": "anti", "C5prime_xyz": [ -1.236, 7.871, -1.788 ], "P_xyz": [ 0.470, 7.184, -3.669 ], "form": "B", "ssZp": 1.771, "Dp": 1.846, "splay_angle": 19.337, "splay_distance": 3.198, "splay_ratio": 0.169, "d22": null, "d64": null, "eta": null, "theta": -119.803, "eta_prime": null, "theta_prime": 177.307, "eta_base": null, "theta_base": -138.824, "v0": 1.912, "v1": 18.692, "v2": -30.724, "v3": 32.561, "v4": -21.928, "amplitude": 33.077, "phase_angle": 201.741, "puckering": "C3'-exo", "sugar_class": "~C2'-endo", "bin": "inc", "cluster": "__", "suiteness": 0.000, "filter_rmsd": 0.063, "frame": { "rmsd": 0.003, "origin": [ 18.577, -18.886, 44.057 ], "x_axis": [ 0.889, -0.020, -0.458 ], "y_axis": [ -0.139, -0.964, -0.228 ], "z_axis": [ -0.437, 0.266, -0.859 ], "quaternion": [ -0.128, 0.963, -0.041, -0.232 ] } }, { "index": 17, "index_chain": 2, "chain_name": "C", "nt_resnum": 4, "nt_name": "DG", "nt_code": "G", "nt_id": "///C/4", "linked_nts": [ "///C/3", "///C/5" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,coaxial-stack", "alpha": -176.574, "beta": 158.411, "gamma": 160.467, "delta": 155.147, "epsilon": -173.716, "zeta": -84.075, "epsilon_zeta": -89.640, "bb_type": "BI", "chi": -131.879, "glyco_bond": "anti", "C5prime_xyz": [ -1.078, 8.370, -0.298 ], "P_xyz": [ 0.909, 9.071, -1.864 ], "form": ".", "ssZp": 1.971, "Dp": 1.972, "splay_angle": 20.971, "splay_distance": 3.680, "splay_ratio": 0.187, "d22": null, "d64": null, "eta": 170.629, "theta": -145.400, "eta_prime": -165.403, "theta_prime": -159.840, "eta_base": -120.297, "theta_base": -121.377, "v0": -3.358, "v1": 24.108, "v2": -34.263, "v3": 33.213, "v4": -18.985, "amplitude": 35.193, "phase_angle": 193.200, "puckering": "C3'-exo", "sugar_class": "~C2'-endo", "bin": "22t", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.005, "frame": { "rmsd": 0.005, "origin": [ 17.000, -18.239, 41.351 ], "x_axis": [ 0.637, -0.605, -0.478 ], "y_axis": [ -0.668, -0.742, 0.049 ], "z_axis": [ -0.385, 0.289, -0.877 ], "quaternion": [ -0.066, 0.902, -0.353, -0.239 ] } }, { "index": 18, "index_chain": 3, "chain_name": "C", "nt_resnum": 5, "nt_name": "DT", "nt_code": "T", "nt_id": "///C/5", "linked_nts": [ "///C/4", "///C/6" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,coaxial-stack", "alpha": -63.839, "beta": -173.075, "gamma": 39.519, "delta": 133.489, "epsilon": -174.036, "zeta": -100.908, "epsilon_zeta": -73.128, "bb_type": "BI", "chi": -117.115, "glyco_bond": "anti", "C5prime_xyz": [ -2.254, 8.523, -1.608 ], "P_xyz": [ -0.350, 10.216, -1.038 ], "form": "B", "ssZp": 2.068, "Dp": 2.135, "splay_angle": 20.615, "splay_distance": 3.553, "splay_ratio": 0.182, "d22": 4.315, "d64": 3.975, "eta": 162.057, "theta": -146.456, "eta_prime": -164.958, "theta_prime": -154.180, "eta_base": -118.707, "theta_base": -105.929, "v0": -28.789, "v1": 37.599, "v2": -31.942, "v3": 16.351, "v4": 7.587, "amplitude": 37.025, "phase_angle": 149.623, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.106, "frame": { "rmsd": 0.002, "origin": [ 16.444, -16.773, 38.022 ], "x_axis": [ 0.128, -0.898, -0.421 ], "y_axis": [ -0.889, -0.292, 0.353 ], "z_axis": [ -0.440, 0.329, -0.836 ], "quaternion": [ 0.008, 0.751, -0.595, -0.287 ] } }, { "index": 19, "index_chain": 4, "chain_name": "C", "nt_resnum": 6, "nt_name": "DC", "nt_code": "C", "nt_id": "///C/6", "linked_nts": [ "///C/5", "///C/7" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,coaxial-stack", "alpha": -55.865, "beta": 177.330, "gamma": 44.860, "delta": 120.421, "epsilon": -162.625, "zeta": -87.180, "epsilon_zeta": -75.445, "bb_type": "BI", "chi": -117.103, "glyco_bond": "anti", "C5prime_xyz": [ -2.251, 8.543, -1.775 ], "P_xyz": [ -0.064, 9.958, -1.642 ], "form": "B", "ssZp": 2.122, "Dp": 2.289, "splay_angle": 20.545, "splay_distance": 3.609, "splay_ratio": 0.178, "d22": 4.056, "d64": 3.373, "eta": 176.278, "theta": -136.242, "eta_prime": -165.938, "theta_prime": -143.541, "eta_base": -112.613, "theta_base": -100.335, "v0": -28.658, "v1": 29.723, "v2": -19.867, "v3": 3.936, "v4": 15.446, "amplitude": 30.173, "phase_angle": 131.181, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.065, "frame": { "rmsd": 0.004, "origin": [ 15.291, -16.449, 34.677 ], "x_axis": [ -0.488, -0.865, -0.118 ], "y_axis": [ -0.774, 0.367, 0.516 ], "z_axis": [ -0.403, 0.344, -0.849 ], "quaternion": [ -0.086, -0.498, 0.822, 0.261 ] } }, { "index": 20, "index_chain": 5, "chain_name": "C", "nt_resnum": 7, "nt_name": "DC", "nt_code": "C", "nt_id": "///C/7", "linked_nts": [ "///C/6", "///C/8" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,BI,canonical,non-pair-contact,helix,stem,coaxial-stack", "alpha": -59.297, "beta": 170.743, "gamma": 38.658, "delta": 101.199, "epsilon": -152.761, "zeta": -102.646, "epsilon_zeta": -50.115, "bb_type": "BI", "chi": -116.672, "glyco_bond": "anti", "C5prime_xyz": [ -2.389, 8.457, -2.011 ], "P_xyz": [ -0.242, 9.861, -2.453 ], "form": ".", "ssZp": 2.085, "Dp": 3.008, "splay_angle": 15.323, "splay_distance": 3.030, "splay_ratio": 0.157, "d22": null, "d64": null, "eta": 166.885, "theta": -158.574, "eta_prime": -175.615, "theta_prime": -149.741, "eta_base": -126.325, "theta_base": -136.756, "v0": -29.360, "v1": 16.812, "v2": 0.938, "v3": -17.916, "v4": 29.799, "amplitude": 30.520, "phase_angle": 88.238, "puckering": "O4'-endo", "sugar_class": "--", "bin": "23p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.065, "frame": { "rmsd": 0.005, "origin": [ 12.867, -16.199, 32.016 ], "x_axis": [ -0.761, -0.531, 0.372 ], "y_axis": [ -0.393, 0.834, 0.387 ], "z_axis": [ -0.516, 0.148, -0.844 ], "quaternion": [ -0.240, -0.249, 0.927, 0.144 ] } }, { "index": 21, "index_chain": 6, "chain_name": "C", "nt_resnum": 8, "nt_name": "DG", "nt_code": "G", "nt_id": "///C/8", "linked_nts": [ "///C/7", "///C/9" ], "nt_type": "DNA", "dbn": ")", "summary": "~C2'-endo,BII,canonical,non-pair-contact,helix,stem,coaxial-stack,phosphate", "alpha": -52.072, "beta": 163.559, "gamma": 41.989, "delta": 149.386, "epsilon": -109.335, "zeta": -162.063, "epsilon_zeta": 52.728, "bb_type": "BII", "chi": -65.762, "glyco_bond": "--", "C5prime_xyz": [ -3.497, 6.964, -2.882 ], "P_xyz": [ -1.298, 7.745, -4.074 ], "form": ".", "ssZp": 0.963, "Dp": 1.412, "splay_angle": 33.499, "splay_distance": 5.651, "splay_ratio": 0.305, "d22": null, "d64": null, "eta": 176.214, "theta": -157.061, "eta_prime": -156.704, "theta_prime": -159.286, "eta_base": -147.037, "theta_base": -130.793, "v0": -29.655, "v1": 42.683, "v2": -38.876, "v3": 22.888, "v4": 4.018, "amplitude": 42.582, "phase_angle": 155.921, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "32p", "cluster": "1b", "suiteness": 0.089, "filter_rmsd": 0.008, "frame": { "rmsd": 0.008, "origin": [ 11.340, -14.424, 30.092 ], "x_axis": [ -0.745, -0.319, 0.585 ], "y_axis": [ -0.415, 0.909, -0.034 ], "z_axis": [ -0.521, -0.268, -0.810 ], "quaternion": [ -0.297, -0.197, 0.931, -0.081 ] } }, { "index": 22, "index_chain": 7, "chain_name": "C", "nt_resnum": 9, "nt_name": "DA", "nt_code": "A", "nt_id": "///C/9", "linked_nts": [ "///C/8", "///C/10" ], "nt_type": "DNA", "dbn": ")", "summary": "~C2'-endo,BI,canonical,non-pair-contact,helix,stem,coaxial-stack,phosphate", "alpha": -84.490, "beta": 166.765, "gamma": 45.200, "delta": 139.715, "epsilon": -172.860, "zeta": -97.561, "epsilon_zeta": -75.300, "bb_type": "BI", "chi": -85.693, "glyco_bond": "--", "C5prime_xyz": [ -1.986, 7.275, -2.820 ], "P_xyz": [ 0.557, 7.719, -2.995 ], "form": "B", "ssZp": 0.979, "Dp": 1.762, "splay_angle": 18.457, "splay_distance": 3.195, "splay_ratio": 0.161, "d22": null, "d64": null, "eta": 166.649, "theta": -127.520, "eta_prime": -174.209, "theta_prime": -148.791, "eta_base": -149.216, "theta_base": -117.259, "v0": -9.908, "v1": 22.624, "v2": -26.325, "v3": 20.927, "v4": -7.104, "amplitude": 26.366, "phase_angle": 176.821, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "4b", "suiteness": 0.220, "filter_rmsd": 0.034, "frame": { "rmsd": 0.008, "origin": [ 7.854, -12.684, 26.000 ], "x_axis": [ -0.331, 0.233, 0.914 ], "y_axis": [ 0.095, 0.972, -0.213 ], "z_axis": [ -0.939, 0.016, -0.344 ], "quaternion": [ 0.569, -0.101, -0.814, 0.061 ] } }, { "index": 23, "index_chain": 8, "chain_name": "C", "nt_resnum": 10, "nt_name": "DG", "nt_code": "G", "nt_id": "///C/10", "linked_nts": [ "///C/9", "///C/11" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,canonical,non-pair-contact,helix,stem-end,coaxial-stack,internal-loop,phosphate", "alpha": -55.027, "beta": 161.628, "gamma": 49.966, "delta": 130.041, "epsilon": -173.823, "zeta": -175.649, "epsilon_zeta": 1.826, "bb_type": "--", "chi": -94.749, "glyco_bond": "anti", "C5prime_xyz": [ -3.540, 7.683, -2.390 ], "P_xyz": [ -1.622, 9.175, -3.283 ], "form": "B", "ssZp": 2.209, "Dp": 2.223, "splay_angle": 20.162, "splay_distance": 3.279, "splay_ratio": 0.175, "d22": null, "d64": null, "eta": 163.293, "theta": -176.747, "eta_prime": -164.204, "theta_prime": 171.033, "eta_base": -133.103, "theta_base": -144.530, "v0": -40.346, "v1": 46.435, "v2": -34.598, "v3": 12.626, "v4": 17.144, "amplitude": 45.574, "phase_angle": 139.390, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.010, "frame": { "rmsd": 0.010, "origin": [ 4.866, -11.918, 25.167 ], "x_axis": [ -0.156, 0.585, 0.796 ], "y_axis": [ 0.117, 0.811, -0.573 ], "z_axis": [ -0.981, 0.004, -0.194 ], "quaternion": [ 0.604, -0.239, -0.735, 0.194 ] } }, { "index": 24, "index_chain": 9, "chain_name": "C", "nt_resnum": 11, "nt_name": "TX2", "nt_code": "c", "is_modified": true, "nt_id": "///C/11", "linked_nts": [ "///C/10", "///C/12" ], "nt_type": "DNA", "dbn": ".", "summary": "modified,anti,BI,non-canonical,non-pair-contact,helix,internal-loop", "alpha": 13.911, "beta": 102.051, "gamma": 37.762, "delta": 106.411, "epsilon": -178.972, "zeta": -92.125, "epsilon_zeta": -86.847, "bb_type": "BI", "chi": -130.059, "glyco_bond": "anti", "C5prime_xyz": [ -2.808, 8.557, -1.711 ], "P_xyz": [ -0.249, 9.181, -1.495 ], "form": "B", "ssZp": 2.521, "Dp": 2.598, "splay_angle": 18.893, "splay_distance": 3.231, "splay_ratio": 0.164, "d22": 4.133, "d64": 3.501, "eta": 177.656, "theta": -139.693, "eta_prime": -172.762, "theta_prime": -152.675, "eta_base": -128.956, "theta_base": -108.922, "v0": -48.309, "v1": 33.873, "v2": -8.039, "v3": -20.069, "v4": 42.622, "amplitude": 47.753, "phase_angle": 99.692, "puckering": "O4'-endo", "sugar_class": "--", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.075, "frame": { "rmsd": 0.034, "origin": [ 1.649, -12.102, 24.558 ], "x_axis": [ -0.096, 0.937, 0.335 ], "y_axis": [ 0.137, 0.346, -0.928 ], "z_axis": [ -0.986, -0.044, -0.162 ], "quaternion": [ 0.522, -0.424, -0.633, 0.384 ] } }, { "index": 25, "index_chain": 10, "chain_name": "C", "nt_resnum": 12, "nt_name": "DC", "nt_code": "C", "nt_id": "///C/12", "linked_nts": [ "///C/11", "///C/13" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem-end,coaxial-stack,internal-loop", "alpha": -58.728, "beta": 171.912, "gamma": 52.827, "delta": 126.428, "epsilon": -178.616, "zeta": -93.069, "epsilon_zeta": -85.547, "bb_type": "BI", "chi": -115.147, "glyco_bond": "anti", "C5prime_xyz": [ -2.409, 8.488, -1.776 ], "P_xyz": [ -0.100, 9.725, -1.839 ], "form": "B", "ssZp": 2.300, "Dp": 2.347, "splay_angle": 21.796, "splay_distance": 3.762, "splay_ratio": 0.191, "d22": 4.201, "d64": 3.896, "eta": 168.252, "theta": -143.739, "eta_prime": -164.277, "theta_prime": -154.705, "eta_base": -112.321, "theta_base": -119.642, "v0": -31.476, "v1": 34.827, "v2": -24.983, "v3": 7.734, "v4": 14.618, "amplitude": 34.491, "phase_angle": 136.414, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "32p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.063, "frame": { "rmsd": 0.005, "origin": [ -1.443, -11.224, 24.234 ], "x_axis": [ 0.062, 0.955, -0.289 ], "y_axis": [ 0.037, -0.291, -0.956 ], "z_axis": [ -0.997, 0.049, -0.053 ], "quaternion": [ -0.424, 0.593, 0.418, -0.542 ] } }, { "index": 26, "index_chain": 11, "chain_name": "C", "nt_resnum": 13, "nt_name": "DT", "nt_code": "T", "nt_id": "///C/13", "linked_nts": [ "///C/12", "///C/14" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,coaxial-stack", "alpha": -58.848, "beta": -174.639, "gamma": 47.259, "delta": 137.814, "epsilon": -165.963, "zeta": -104.268, "epsilon_zeta": -61.695, "bb_type": "BI", "chi": -110.518, "glyco_bond": "anti", "C5prime_xyz": [ -2.405, 8.350, -1.877 ], "P_xyz": [ -0.409, 9.992, -1.576 ], "form": "B", "ssZp": 1.709, "Dp": 1.815, "splay_angle": 18.941, "splay_distance": 3.290, "splay_ratio": 0.167, "d22": null, "d64": null, "eta": 176.014, "theta": -139.127, "eta_prime": -159.689, "theta_prime": -149.674, "eta_base": -120.609, "theta_base": -98.610, "v0": -27.690, "v1": 38.881, "v2": -35.316, "v3": 20.456, "v4": 4.322, "amplitude": 38.933, "phase_angle": 155.107, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.106, "frame": { "rmsd": 0.004, "origin": [ -5.073, -10.235, 24.258 ], "x_axis": [ 0.207, 0.635, -0.744 ], "y_axis": [ -0.016, -0.758, -0.652 ], "z_axis": [ -0.978, 0.147, -0.147 ], "quaternion": [ -0.275, 0.727, 0.213, -0.592 ] } }, { "index": 27, "index_chain": 12, "chain_name": "C", "nt_resnum": 14, "nt_name": "DA", "nt_code": "A", "nt_id": "///C/14", "linked_nts": [ "///C/13", "///C/15" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,canonical,non-pair-contact,helix,stem,coaxial-stack", "alpha": -54.984, "beta": 166.565, "gamma": 39.253, "delta": 137.160, "epsilon": -158.474, "zeta": -147.282, "epsilon_zeta": -11.192, "bb_type": "--", "chi": -101.211, "glyco_bond": "anti", "C5prime_xyz": [ -3.072, 8.137, -2.082 ], "P_xyz": [ -1.078, 9.775, -2.453 ], "form": "B", "ssZp": 2.342, "Dp": 2.332, "splay_angle": 19.416, "splay_distance": 3.167, "splay_ratio": 0.169, "d22": null, "d64": null, "eta": 161.734, "theta": -176.814, "eta_prime": -170.902, "theta_prime": 170.639, "eta_base": -114.441, "theta_base": -147.368, "v0": -36.674, "v1": 45.765, "v2": -37.034, "v3": 17.013, "v4": 12.119, "amplitude": 44.792, "phase_angle": 145.770, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.036, "frame": { "rmsd": 0.003, "origin": [ -7.810, -9.138, 22.799 ], "x_axis": [ 0.145, 0.038, -0.989 ], "y_axis": [ -0.250, -0.966, -0.074 ], "z_axis": [ -0.957, 0.257, -0.131 ], "quaternion": [ -0.111, 0.749, -0.071, -0.650 ] } }, { "index": 28, "index_chain": 13, "chain_name": "C", "nt_resnum": 15, "nt_name": "DC", "nt_code": "C", "nt_id": "///C/15", "linked_nts": [ "///C/14", null ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C3'-endo,canonical,non-pair-contact,helix-end,stem-end,coaxial-stack", "alpha": -71.286, "beta": 149.845, "gamma": 57.010, "delta": 91.257, "epsilon": null, "zeta": null, "epsilon_zeta": null, "bb_type": "--", "chi": -139.583, "glyco_bond": "anti", "C5prime_xyz": [ -1.668, 8.847, -0.709 ], "P_xyz": [ 0.859, 9.029, -1.423 ], "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": -5.854, "v1": -13.812, "v2": 26.723, "v3": -30.817, "v4": 23.261, "amplitude": 30.638, "phase_angle": 29.282, "puckering": "C3'-endo", "sugar_class": "~C3'-endo", "bin": "23p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.063, "frame": { "rmsd": 0.003, "origin": [ -10.778, -8.058, 23.033 ], "x_axis": [ -0.177, -0.495, -0.851 ], "y_axis": [ -0.342, -0.780, 0.524 ], "z_axis": [ -0.923, 0.384, -0.031 ], "quaternion": [ -0.055, -0.639, 0.327, 0.694 ] } } ], "num_hbonds": 310, "hbonds": [ { "index": 1, "atom1_serNum": 1, "atom2_serNum": 651, "donAcc_type": "standard", "distance": 3.258, "atom1_id": "///A/2/N", "atom2_id": "///A/76/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 2, "atom1_serNum": 8, "atom2_serNum": 39, "donAcc_type": "standard", "distance": 2.841, "atom1_id": "///A/3/N", "atom2_id": "///A/6/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 3, "atom1_serNum": 11, "atom2_serNum": 32, "donAcc_type": "standard", "distance": 2.974, "atom1_id": "///A/3/O", "atom2_id": "///A/6/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 4, "atom1_serNum": 11, "atom2_serNum": 41, "donAcc_type": "standard", "distance": 2.909, "atom1_id": "///A/3/O", "atom2_id": "///A/7/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 5, "atom1_serNum": 16, "atom2_serNum": 512, "donAcc_type": "standard", "distance": 3.029, "atom1_id": "///A/3/OE2", "atom2_id": "///A/60/NZ", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 6, "atom1_serNum": 20, "atom2_serNum": 48, "donAcc_type": "standard", "distance": 2.862, "atom1_id": "///A/4/O", "atom2_id": "///A/8/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 7, "atom1_serNum": 28, "atom2_serNum": 57, "donAcc_type": "standard", "distance": 3.058, "atom1_id": "///A/5/O", "atom2_id": "///A/9/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 8, "atom1_serNum": 35, "atom2_serNum": 64, "donAcc_type": "standard", "distance": 2.868, "atom1_id": "///A/6/O", "atom2_id": "///A/10/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 9, "atom1_serNum": 44, "atom2_serNum": 72, "donAcc_type": "standard", "distance": 2.870, "atom1_id": "///A/7/O", "atom2_id": "///A/11/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 10, "atom1_serNum": 51, "atom2_serNum": 83, "donAcc_type": "standard", "distance": 3.015, "atom1_id": "///A/8/O", "atom2_id": "///A/12/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 11, "atom1_serNum": 55, "atom2_serNum": 474, "donAcc_type": "standard", "distance": 2.756, "atom1_id": "///A/8/OE1", "atom2_id": "///A/57/NE", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 12, "atom1_serNum": 56, "atom2_serNum": 79, "donAcc_type": "standard", "distance": 3.014, "atom1_id": "///A/8/OE2", "atom2_id": "///A/11/NE", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 13, "atom1_serNum": 60, "atom2_serNum": 105, "donAcc_type": "standard", "distance": 2.959, "atom1_id": "///A/9/O", "atom2_id": "///A/13/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 14, "atom1_serNum": 60, "atom2_serNum": 110, "donAcc_type": "acceptable", "distance": 2.973, "atom1_id": "///A/9/O", "atom2_id": "///A/13/OG1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 15, "atom1_serNum": 62, "atom2_serNum": 103, "donAcc_type": "acceptable", "distance": 3.553, "atom1_id": "///A/9/OG1", "atom2_id": "///A/12/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 16, "atom1_serNum": 67, "atom2_serNum": 112, "donAcc_type": "standard", "distance": 2.775, "atom1_id": "///A/10/O", "atom2_id": "///A/14/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 17, "atom1_serNum": 75, "atom2_serNum": 120, "donAcc_type": "standard", "distance": 3.332, "atom1_id": "///A/11/O", "atom2_id": "///A/15/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 18, "atom1_serNum": 81, "atom2_serNum": 453, "donAcc_type": "standard", "distance": 3.059, "atom1_id": "///A/11/NH1", "atom2_id": "///A/55/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 19, "atom1_serNum": 115, "atom2_serNum": 135, "donAcc_type": "standard", "distance": 2.871, "atom1_id": "///A/14/O", "atom2_id": "///A/17/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 20, "atom1_serNum": 115, "atom2_serNum": 143, "donAcc_type": "standard", "distance": 3.321, "atom1_id": "///A/14/O", "atom2_id": "///A/18/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 21, "atom1_serNum": 123, "atom2_serNum": 143, "donAcc_type": "standard", "distance": 3.126, "atom1_id": "///A/15/O", "atom2_id": "///A/18/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 22, "atom1_serNum": 123, "atom2_serNum": 151, "donAcc_type": "standard", "distance": 2.841, "atom1_id": "///A/15/O", "atom2_id": "///A/19/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 23, "atom1_serNum": 138, "atom2_serNum": 170, "donAcc_type": "standard", "distance": 2.912, "atom1_id": "///A/17/O", "atom2_id": "///A/21/NZ", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 24, "atom1_serNum": 146, "atom2_serNum": 162, "donAcc_type": "standard", "distance": 3.082, "atom1_id": "///A/18/O", "atom2_id": "///A/21/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 25, "atom1_serNum": 158, "atom2_serNum": 431, "donAcc_type": "standard", "distance": 2.772, "atom1_id": "///A/20/N", "atom2_id": "///A/52/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 26, "atom1_serNum": 165, "atom2_serNum": 428, "donAcc_type": "standard", "distance": 2.844, "atom1_id": "///A/21/O", "atom2_id": "///A/52/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 27, "atom1_serNum": 170, "atom2_serNum": 869, "donAcc_type": "acceptable", "distance": 2.907, "atom1_id": "///A/21/NZ", "atom2_id": "///A/104/OG", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 28, "atom1_serNum": 174, "atom2_serNum": 845, "donAcc_type": "standard", "distance": 2.911, "atom1_id": "///A/22/O", "atom2_id": "///A/101/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 29, "atom1_serNum": 176, "atom2_serNum": 426, "donAcc_type": "acceptable", "distance": 2.732, "atom1_id": "///A/22/OG1", "atom2_id": "///A/51/OG1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 30, "atom1_serNum": 178, "atom2_serNum": 415, "donAcc_type": "standard", "distance": 2.864, "atom1_id": "///A/23/N", "atom2_id": "///A/50/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 31, "atom1_serNum": 181, "atom2_serNum": 408, "donAcc_type": "standard", "distance": 2.726, "atom1_id": "///A/23/O", "atom2_id": "///A/49/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 32, "atom1_serNum": 186, "atom2_serNum": 831, "donAcc_type": "standard", "distance": 2.645, "atom1_id": "///A/24/N", "atom2_id": "///A/99/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 33, "atom1_serNum": 195, "atom2_serNum": 831, "donAcc_type": "standard", "distance": 3.279, "atom1_id": "///A/25/N", "atom2_id": "///A/99/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 34, "atom1_serNum": 198, "atom2_serNum": 828, "donAcc_type": "standard", "distance": 2.833, "atom1_id": "///A/25/O", "atom2_id": "///A/99/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 35, "atom1_serNum": 201, "atom2_serNum": 217, "donAcc_type": "standard", "distance": 3.021, "atom1_id": "///A/25/OD1", "atom2_id": "///A/27/NE", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 36, "atom1_serNum": 202, "atom2_serNum": 203, "donAcc_type": "standard", "distance": 2.851, "atom1_id": "///A/25/OD2", "atom2_id": "///A/26/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 37, "atom1_serNum": 210, "atom2_serNum": 813, "donAcc_type": "standard", "distance": 2.867, "atom1_id": "///A/27/N", "atom2_id": "///A/97/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 38, "atom1_serNum": 213, "atom2_serNum": 810, "donAcc_type": "standard", "distance": 2.867, "atom1_id": "///A/27/O", "atom2_id": "///A/97/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 39, "atom1_serNum": 229, "atom2_serNum": 796, "donAcc_type": "standard", "distance": 2.733, "atom1_id": "///A/29/N", "atom2_id": "///A/95/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 40, "atom1_serNum": 240, "atom2_serNum": 796, "donAcc_type": "standard", "distance": 3.423, "atom1_id": "///A/30/N", "atom2_id": "///A/95/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 41, "atom1_serNum": 243, "atom2_serNum": 269, "donAcc_type": "standard", "distance": 3.265, "atom1_id": "///A/30/O", "atom2_id": "///A/33/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 42, "atom1_serNum": 257, "atom2_serNum": 277, "donAcc_type": "standard", "distance": 2.927, "atom1_id": "///A/31/O", "atom2_id": "///A/34/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 43, "atom1_serNum": 264, "atom2_serNum": 292, "donAcc_type": "standard", "distance": 3.029, "atom1_id": "///A/32/O", "atom2_id": "///A/35/NE", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 44, "atom1_serNum": 268, "atom2_serNum": 2251, "donAcc_type": "standard", "distance": 3.988, "atom1_id": "///A/32/ND2", "atom2_id": "///B/10/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 45, "atom1_serNum": 272, "atom2_serNum": 285, "donAcc_type": "standard", "distance": 3.356, "atom1_id": "///A/33/O", "atom2_id": "///A/35/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 46, "atom1_serNum": 272, "atom2_serNum": 989, "donAcc_type": "standard", "distance": 2.925, "atom1_id": "///A/33/O", "atom2_id": "///A/117/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 47, "atom1_serNum": 285, "atom2_serNum": 992, "donAcc_type": "standard", "distance": 2.770, "atom1_id": "///A/35/N", "atom2_id": "///A/117/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 48, "atom1_serNum": 299, "atom2_serNum": 1007, "donAcc_type": "standard", "distance": 2.774, "atom1_id": "///A/36/O", "atom2_id": "///A/119/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 49, "atom1_serNum": 302, "atom2_serNum": 1010, "donAcc_type": "acceptable", "distance": 2.881, "atom1_id": "///A/36/ND1", "atom2_id": "///A/119/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 50, "atom1_serNum": 327, "atom2_serNum": 347, "donAcc_type": "standard", "distance": 2.944, "atom1_id": "///A/39/O", "atom2_id": "///A/42/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 51, "atom1_serNum": 327, "atom2_serNum": 352, "donAcc_type": "standard", "distance": 3.185, "atom1_id": "///A/39/O", "atom2_id": "///A/43/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 52, "atom1_serNum": 330, "atom2_serNum": 332, "donAcc_type": "standard", "distance": 2.967, "atom1_id": "///A/39/OD1", "atom2_id": "///A/40/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 53, "atom1_serNum": 330, "atom2_serNum": 338, "donAcc_type": "standard", "distance": 2.844, "atom1_id": "///A/39/OD1", "atom2_id": "///A/41/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 54, "atom1_serNum": 335, "atom2_serNum": 363, "donAcc_type": "standard", "distance": 2.980, "atom1_id": "///A/40/O", "atom2_id": "///A/44/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 55, "atom1_serNum": 341, "atom2_serNum": 368, "donAcc_type": "standard", "distance": 2.985, "atom1_id": "///A/41/O", "atom2_id": "///A/45/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 56, "atom1_serNum": 350, "atom2_serNum": 373, "donAcc_type": "standard", "distance": 3.043, "atom1_id": "///A/42/O", "atom2_id": "///A/46/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 57, "atom1_serNum": 355, "atom2_serNum": 384, "donAcc_type": "standard", "distance": 3.592, "atom1_id": "///A/43/O", "atom2_id": "///A/47/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 58, "atom1_serNum": 366, "atom2_serNum": 400, "donAcc_type": "standard", "distance": 3.521, "atom1_id": "///A/44/O", "atom2_id": "///A/48/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 59, "atom1_serNum": 376, "atom2_serNum": 420, "donAcc_type": "standard", "distance": 2.866, "atom1_id": "///A/46/O", "atom2_id": "///A/50/NE2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 60, "atom1_serNum": 380, "atom2_serNum": 593, "donAcc_type": "standard", "distance": 2.931, "atom1_id": "///A/46/NE", "atom2_id": "///A/69/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 61, "atom1_serNum": 383, "atom2_serNum": 594, "donAcc_type": "standard", "distance": 2.926, "atom1_id": "///A/46/NH2", "atom2_id": "///A/69/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 62, "atom1_serNum": 390, "atom2_serNum": 412, "donAcc_type": "standard", "distance": 3.078, "atom1_id": "///A/47/O", "atom2_id": "///A/50/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 63, "atom1_serNum": 419, "atom2_serNum": 576, "donAcc_type": "standard", "distance": 2.913, "atom1_id": "///A/50/OE1", "atom2_id": "///A/68/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 64, "atom1_serNum": 419, "atom2_serNum": 587, "donAcc_type": "standard", "distance": 3.013, "atom1_id": "///A/50/OE1", "atom2_id": "///A/69/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 65, "atom1_serNum": 420, "atom2_serNum": 593, "donAcc_type": "standard", "distance": 2.820, "atom1_id": "///A/50/NE2", "atom2_id": "///A/69/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 66, "atom1_serNum": 421, "atom2_serNum": 574, "donAcc_type": "standard", "distance": 2.806, "atom1_id": "///A/51/N", "atom2_id": "///A/67/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 67, "atom1_serNum": 424, "atom2_serNum": 568, "donAcc_type": "standard", "distance": 3.265, "atom1_id": "///A/51/O", "atom2_id": "///A/67/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 68, "atom1_serNum": 435, "atom2_serNum": 555, "donAcc_type": "standard", "distance": 2.686, "atom1_id": "///A/53/N", "atom2_id": "///A/65/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 69, "atom1_serNum": 442, "atom2_serNum": 575, "donAcc_type": "standard", "distance": 2.882, "atom1_id": "///A/53/NE", "atom2_id": "///A/67/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 70, "atom1_serNum": 445, "atom2_serNum": 575, "donAcc_type": "standard", "distance": 3.124, "atom1_id": "///A/53/NH2", "atom2_id": "///A/67/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 71, "atom1_serNum": 446, "atom2_serNum": 555, "donAcc_type": "standard", "distance": 3.117, "atom1_id": "///A/54/N", "atom2_id": "///A/65/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 72, "atom1_serNum": 449, "atom2_serNum": 552, "donAcc_type": "standard", "distance": 2.888, "atom1_id": "///A/54/O", "atom2_id": "///A/65/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 73, "atom1_serNum": 458, "atom2_serNum": 535, "donAcc_type": "standard", "distance": 2.884, "atom1_id": "///A/56/N", "atom2_id": "///A/63/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 74, "atom1_serNum": 461, "atom2_serNum": 532, "donAcc_type": "standard", "distance": 2.759, "atom1_id": "///A/56/O", "atom2_id": "///A/63/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 75, "atom1_serNum": 476, "atom2_serNum": 503, "donAcc_type": "standard", "distance": 2.870, "atom1_id": "///A/57/NH1", "atom2_id": "///A/59/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 76, "atom1_serNum": 476, "atom2_serNum": 1167, "donAcc_type": "standard", "distance": 2.838, "atom1_id": "///A/57/NH1", "atom2_id": "///A/137/OE2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 77, "atom1_serNum": 477, "atom2_serNum": 1167, "donAcc_type": "standard", "distance": 3.228, "atom1_id": "///A/57/NH2", "atom2_id": "///A/137/OE2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 78, "atom1_serNum": 478, "atom2_serNum": 516, "donAcc_type": "standard", "distance": 2.936, "atom1_id": "///A/58/N", "atom2_id": "///A/61/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 79, "atom1_serNum": 484, "atom2_serNum": 513, "donAcc_type": "standard", "distance": 2.859, "atom1_id": "///A/58/O", "atom2_id": "///A/61/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 80, "atom1_serNum": 500, "atom2_serNum": 1166, "donAcc_type": "standard", "distance": 2.759, "atom1_id": "///A/59/N", "atom2_id": "///A/137/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 81, "atom1_serNum": 524, "atom2_serNum": 627, "donAcc_type": "standard", "distance": 2.912, "atom1_id": "///A/62/N", "atom2_id": "///A/73/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 82, "atom1_serNum": 527, "atom2_serNum": 624, "donAcc_type": "standard", "distance": 2.868, "atom1_id": "///A/62/O", "atom2_id": "///A/73/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 83, "atom1_serNum": 540, "atom2_serNum": 1070, "donAcc_type": "standard", "distance": 2.742, "atom1_id": "///A/63/NZ", "atom2_id": "///A/126/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 84, "atom1_serNum": 541, "atom2_serNum": 603, "donAcc_type": "standard", "distance": 2.774, "atom1_id": "///A/64/N", "atom2_id": "///A/71/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 85, "atom1_serNum": 544, "atom2_serNum": 600, "donAcc_type": "standard", "distance": 2.802, "atom1_id": "///A/64/O", "atom2_id": "///A/71/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 86, "atom1_serNum": 560, "atom2_serNum": 590, "donAcc_type": "standard", "distance": 2.834, "atom1_id": "///A/66/N", "atom2_id": "///A/69/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 87, "atom1_serNum": 563, "atom2_serNum": 1039, "donAcc_type": "standard", "distance": 2.828, "atom1_id": "///A/66/O", "atom2_id": "///A/122/NZ", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 88, "atom1_serNum": 579, "atom2_serNum": 1031, "donAcc_type": "standard", "distance": 2.900, "atom1_id": "///A/68/O", "atom2_id": "///A/122/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 89, "atom1_serNum": 595, "atom2_serNum": 1017, "donAcc_type": "standard", "distance": 2.807, "atom1_id": "///A/70/N", "atom2_id": "///A/120/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 90, "atom1_serNum": 598, "atom2_serNum": 1014, "donAcc_type": "standard", "distance": 3.192, "atom1_id": "///A/70/O", "atom2_id": "///A/120/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 91, "atom1_serNum": 608, "atom2_serNum": 1000, "donAcc_type": "standard", "distance": 2.773, "atom1_id": "///A/72/N", "atom2_id": "///A/118/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 92, "atom1_serNum": 614, "atom2_serNum": 997, "donAcc_type": "standard", "distance": 2.916, "atom1_id": "///A/72/O", "atom2_id": "///A/118/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 93, "atom1_serNum": 629, "atom2_serNum": 699, "donAcc_type": "acceptable", "distance": 2.732, "atom1_id": "///A/73/OG", "atom2_id": "///A/81/OH", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 94, "atom1_serNum": 629, "atom2_serNum": 985, "donAcc_type": "acceptable", "distance": 3.999, "atom1_id": "///A/73/OG", "atom2_id": "///A/116/O", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 95, "atom1_serNum": 630, "atom2_serNum": 985, "donAcc_type": "standard", "distance": 2.967, "atom1_id": "///A/74/N", "atom2_id": "///A/116/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 96, "atom1_serNum": 633, "atom2_serNum": 909, "donAcc_type": "acceptable", "distance": 3.920, "atom1_id": "///A/74/O", "atom2_id": "///A/108/OH", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 97, "atom1_serNum": 633, "atom2_serNum": 982, "donAcc_type": "standard", "distance": 2.920, "atom1_id": "///A/74/O", "atom2_id": "///A/116/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 98, "atom1_serNum": 636, "atom2_serNum": 648, "donAcc_type": "acceptable", "distance": 2.918, "atom1_id": "///A/74/ND1", "atom2_id": "///A/76/N", "atom_pair": "N:N", "residue_pair": "aa:aa" }, { "index": 99, "atom1_serNum": 639, "atom2_serNum": 2519, "donAcc_type": "standard", "distance": 2.889, "atom1_id": "///A/74/NE2", "atom2_id": "///C/10/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 100, "atom1_serNum": 643, "atom2_serNum": 673, "donAcc_type": "standard", "distance": 2.841, "atom1_id": "///A/75/O", "atom2_id": "///A/79/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 101, "atom1_serNum": 655, "atom2_serNum": 2516, "donAcc_type": "standard", "distance": 2.904, "atom1_id": "///A/76/NE", "atom2_id": "///C/9/N3", "atom_pair": "N:N", "residue_pair": "aa:nt" }, { "index": 102, "atom1_serNum": 671, "atom2_serNum": 954, "donAcc_type": "standard", "distance": 2.811, "atom1_id": "///A/78/OE1", "atom2_id": "///A/112/NE", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 103, "atom1_serNum": 672, "atom2_serNum": 957, "donAcc_type": "standard", "distance": 2.627, "atom1_id": "///A/78/OE2", "atom2_id": "///A/112/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 104, "atom1_serNum": 677, "atom2_serNum": 916, "donAcc_type": "standard", "distance": 2.916, "atom1_id": "///A/80/N", "atom2_id": "///A/109/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 105, "atom1_serNum": 680, "atom2_serNum": 910, "donAcc_type": "standard", "distance": 2.915, "atom1_id": "///A/80/O", "atom2_id": "///A/109/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 106, "atom1_serNum": 700, "atom2_serNum": 890, "donAcc_type": "standard", "distance": 3.042, "atom1_id": "///A/82/N", "atom2_id": "///A/107/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 107, "atom1_serNum": 703, "atom2_serNum": 887, "donAcc_type": "standard", "distance": 2.817, "atom1_id": "///A/82/O", "atom2_id": "///A/107/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 108, "atom1_serNum": 712, "atom2_serNum": 873, "donAcc_type": "standard", "distance": 2.995, "atom1_id": "///A/84/N", "atom2_id": "///A/105/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 109, "atom1_serNum": 715, "atom2_serNum": 870, "donAcc_type": "standard", "distance": 2.796, "atom1_id": "///A/84/O", "atom2_id": "///A/105/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 110, "atom1_serNum": 720, "atom2_serNum": 736, "donAcc_type": "standard", "distance": 3.286, "atom1_id": "///A/85/O", "atom2_id": "///A/88/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 111, "atom1_serNum": 720, "atom2_serNum": 897, "donAcc_type": "standard", "distance": 2.790, "atom1_id": "///A/85/O", "atom2_id": "///A/107/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 112, "atom1_serNum": 722, "atom2_serNum": 728, "donAcc_type": "acceptable", "distance": 2.986, "atom1_id": "///A/85/OG", "atom2_id": "///A/87/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 113, "atom1_serNum": 723, "atom2_serNum": 863, "donAcc_type": "standard", "distance": 2.899, "atom1_id": "///A/86/N", "atom2_id": "///A/103/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 114, "atom1_serNum": 760, "atom2_serNum": 767, "donAcc_type": "standard", "distance": 3.067, "atom1_id": "///A/91/N", "atom2_id": "///A/91/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 115, "atom1_serNum": 763, "atom2_serNum": 791, "donAcc_type": "acceptable", "distance": 2.721, "atom1_id": "///A/91/O", "atom2_id": "///A/94/OG1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 116, "atom1_serNum": 767, "atom2_serNum": 896, "donAcc_type": "standard", "distance": 2.984, "atom1_id": "///A/91/OE1", "atom2_id": "///A/107/NH1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 117, "atom1_serNum": 772, "atom2_serNum": 924, "donAcc_type": "standard", "distance": 2.738, "atom1_id": "///A/92/O", "atom2_id": "///A/109/NE", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 118, "atom1_serNum": 772, "atom2_serNum": 930, "donAcc_type": "standard", "distance": 2.995, "atom1_id": "///A/92/O", "atom2_id": "///A/109/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 119, "atom1_serNum": 779, "atom2_serNum": 932, "donAcc_type": "standard", "distance": 3.017, "atom1_id": "///A/93/O", "atom2_id": "///A/110/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 120, "atom1_serNum": 793, "atom2_serNum": 901, "donAcc_type": "standard", "distance": 2.909, "atom1_id": "///A/95/N", "atom2_id": "///A/108/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 121, "atom1_serNum": 802, "atom2_serNum": 935, "donAcc_type": "standard", "distance": 2.608, "atom1_id": "///A/95/NE2", "atom2_id": "///A/110/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 122, "atom1_serNum": 803, "atom2_serNum": 901, "donAcc_type": "standard", "distance": 3.501, "atom1_id": "///A/96/N", "atom2_id": "///A/108/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 123, "atom1_serNum": 806, "atom2_serNum": 898, "donAcc_type": "standard", "distance": 2.859, "atom1_id": "///A/96/O", "atom2_id": "///A/108/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 124, "atom1_serNum": 817, "atom2_serNum": 882, "donAcc_type": "standard", "distance": 2.798, "atom1_id": "///A/98/N", "atom2_id": "///A/106/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 125, "atom1_serNum": 820, "atom2_serNum": 879, "donAcc_type": "standard", "distance": 2.857, "atom1_id": "///A/98/O", "atom2_id": "///A/106/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 126, "atom1_serNum": 834, "atom2_serNum": 867, "donAcc_type": "standard", "distance": 2.837, "atom1_id": "///A/100/N", "atom2_id": "///A/104/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 127, "atom1_serNum": 837, "atom2_serNum": 860, "donAcc_type": "standard", "distance": 3.108, "atom1_id": "///A/100/O", "atom2_id": "///A/103/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 128, "atom1_serNum": 858, "atom2_serNum": 864, "donAcc_type": "standard", "distance": 2.968, "atom1_id": "///A/102/OD1", "atom2_id": "///A/104/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 129, "atom1_serNum": 858, "atom2_serNum": 869, "donAcc_type": "acceptable", "distance": 2.694, "atom1_id": "///A/102/OD1", "atom2_id": "///A/104/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 130, "atom1_serNum": 877, "atom2_serNum": 894, "donAcc_type": "standard", "distance": 2.878, "atom1_id": "///A/105/OE1", "atom2_id": "///A/107/NE", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 131, "atom1_serNum": 877, "atom2_serNum": 897, "donAcc_type": "standard", "distance": 3.318, "atom1_id": "///A/105/OE1", "atom2_id": "///A/107/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 132, "atom1_serNum": 935, "atom2_serNum": 958, "donAcc_type": "standard", "distance": 2.891, "atom1_id": "///A/110/O", "atom2_id": "///A/113/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 133, "atom1_serNum": 938, "atom2_serNum": 947, "donAcc_type": "standard", "distance": 3.205, "atom1_id": "///A/110/OD1", "atom2_id": "///A/112/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 134, "atom1_serNum": 939, "atom2_serNum": 978, "donAcc_type": "standard", "distance": 2.838, "atom1_id": "///A/110/OD2", "atom2_id": "///A/115/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 135, "atom1_serNum": 956, "atom2_serNum": 2289, "donAcc_type": "standard", "distance": 3.003, "atom1_id": "///A/112/NH1", "atom2_id": "///B/11/N3", "atom_pair": "N:N", "residue_pair": "aa:nt" }, { "index": 136, "atom1_serNum": 956, "atom2_serNum": 2297, "donAcc_type": "standard", "distance": 2.983, "atom1_id": "///A/112/NH1", "atom2_id": "///B/12/O4'", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 137, "atom1_serNum": 966, "atom2_serNum": 2270, "donAcc_type": "standard", "distance": 3.186, "atom1_id": "///A/113/NZ", "atom2_id": "///B/11/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 138, "atom1_serNum": 1025, "atom2_serNum": 1107, "donAcc_type": "acceptable", "distance": 3.313, "atom1_id": "///A/120/OH", "atom2_id": "///A/129/O", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 139, "atom1_serNum": 1029, "atom2_serNum": 1049, "donAcc_type": "standard", "distance": 2.870, "atom1_id": "///A/121/O", "atom2_id": "///A/124/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 140, "atom1_serNum": 1029, "atom2_serNum": 1058, "donAcc_type": "standard", "distance": 3.293, "atom1_id": "///A/121/O", "atom2_id": "///A/125/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 141, "atom1_serNum": 1040, "atom2_serNum": 1048, "donAcc_type": "standard", "distance": 2.806, "atom1_id": "///A/123/N", "atom2_id": "///A/123/OE2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 142, "atom1_serNum": 1052, "atom2_serNum": 1071, "donAcc_type": "standard", "distance": 2.974, "atom1_id": "///A/124/O", "atom2_id": "///A/127/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 143, "atom1_serNum": 1052, "atom2_serNum": 1093, "donAcc_type": "standard", "distance": 3.408, "atom1_id": "///A/124/O", "atom2_id": "///A/128/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 144, "atom1_serNum": 1057, "atom2_serNum": 1100, "donAcc_type": "standard", "distance": 3.072, "atom1_id": "///A/124/OE2", "atom2_id": "///A/128/NE", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 145, "atom1_serNum": 1061, "atom2_serNum": 1093, "donAcc_type": "standard", "distance": 3.298, "atom1_id": "///A/125/O", "atom2_id": "///A/128/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 146, "atom1_serNum": 1096, "atom2_serNum": 1118, "donAcc_type": "standard", "distance": 3.099, "atom1_id": "///A/128/O", "atom2_id": "///A/131/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 147, "atom1_serNum": 1096, "atom2_serNum": 1126, "donAcc_type": "standard", "distance": 2.903, "atom1_id": "///A/128/O", "atom2_id": "///A/132/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 148, "atom1_serNum": 1114, "atom2_serNum": 2547, "donAcc_type": "standard", "distance": 2.750, "atom1_id": "///A/130/O", "atom2_id": "///C/11/N4", "atom_pair": "O:N", "residue_pair": "aa:nt" }, { "index": 149, "atom1_serNum": 1121, "atom2_serNum": 1140, "donAcc_type": "standard", "distance": 3.113, "atom1_id": "///A/131/O", "atom2_id": "///A/134/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 150, "atom1_serNum": 1148, "atom2_serNum": 1387, "donAcc_type": "standard", "distance": 2.743, "atom1_id": "///A/135/N", "atom2_id": "///A/166/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 151, "atom1_serNum": 1155, "atom2_serNum": 1411, "donAcc_type": "standard", "distance": 2.899, "atom1_id": "///A/136/O", "atom2_id": "///A/170/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 152, "atom1_serNum": 1162, "atom2_serNum": 1183, "donAcc_type": "standard", "distance": 3.059, "atom1_id": "///A/137/O", "atom2_id": "///A/140/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 153, "atom1_serNum": 1162, "atom2_serNum": 1188, "donAcc_type": "acceptable", "distance": 2.756, "atom1_id": "///A/137/O", "atom2_id": "///A/140/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 154, "atom1_serNum": 1186, "atom2_serNum": 1201, "donAcc_type": "standard", "distance": 3.001, "atom1_id": "///A/140/O", "atom2_id": "///A/143/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 155, "atom1_serNum": 1204, "atom2_serNum": 1676, "donAcc_type": "standard", "distance": 2.812, "atom1_id": "///A/143/O", "atom2_id": "///A/204/NE2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 156, "atom1_serNum": 1215, "atom2_serNum": 1237, "donAcc_type": "standard", "distance": 2.951, "atom1_id": "///A/144/O", "atom2_id": "///A/148/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 157, "atom1_serNum": 1217, "atom2_serNum": 1230, "donAcc_type": "acceptable", "distance": 3.069, "atom1_id": "///A/144/OG", "atom2_id": "///A/147/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 158, "atom1_serNum": 1221, "atom2_serNum": 1245, "donAcc_type": "standard", "distance": 2.695, "atom1_id": "///A/145/O", "atom2_id": "///A/149/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 159, "atom1_serNum": 1228, "atom2_serNum": 1250, "donAcc_type": "standard", "distance": 3.008, "atom1_id": "///A/146/O", "atom2_id": "///A/150/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 160, "atom1_serNum": 1233, "atom2_serNum": 1255, "donAcc_type": "standard", "distance": 3.219, "atom1_id": "///A/147/O", "atom2_id": "///A/151/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 161, "atom1_serNum": 1240, "atom2_serNum": 1266, "donAcc_type": "standard", "distance": 2.990, "atom1_id": "///A/148/O", "atom2_id": "///A/152/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 162, "atom1_serNum": 1248, "atom2_serNum": 1271, "donAcc_type": "standard", "distance": 3.084, "atom1_id": "///A/149/O", "atom2_id": "///A/153/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 163, "atom1_serNum": 1265, "atom2_serNum": 1395, "donAcc_type": "acceptable", "distance": 3.101, "atom1_id": "///A/151/NH2", "atom2_id": "///A/167/OG1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 164, "atom1_serNum": 1269, "atom2_serNum": 1287, "donAcc_type": "standard", "distance": 3.499, "atom1_id": "///A/152/O", "atom2_id": "///A/155/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 165, "atom1_serNum": 1292, "atom2_serNum": 1303, "donAcc_type": "acceptable", "distance": 3.130, "atom1_id": "///A/155/OG1", "atom2_id": "///A/157/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 166, "atom1_serNum": 1292, "atom2_serNum": 1317, "donAcc_type": "acceptable", "distance": 3.213, "atom1_id": "///A/155/OG1", "atom2_id": "///A/157/NE", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 167, "atom1_serNum": 1292, "atom2_serNum": 2128, "donAcc_type": "acceptable", "distance": 3.146, "atom1_id": "///A/155/OG1", "atom2_id": "///B/4/OP1", "atom_pair": "O:O", "residue_pair": "aa:nt" }, { "index": 168, "atom1_serNum": 1292, "atom2_serNum": 2129, "donAcc_type": "acceptable", "distance": 3.024, "atom1_id": "///A/155/OG1", "atom2_id": "///B/4/OP2", "atom_pair": "O:O", "residue_pair": "aa:nt" }, { "index": 169, "atom1_serNum": 1294, "atom2_serNum": 2128, "donAcc_type": "standard", "distance": 3.001, "atom1_id": "///A/156/N", "atom2_id": "///B/4/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 170, "atom1_serNum": 1309, "atom2_serNum": 1577, "donAcc_type": "standard", "distance": 2.908, "atom1_id": "///A/157/O", "atom2_id": "///A/192/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 171, "atom1_serNum": 1321, "atom2_serNum": 1383, "donAcc_type": "standard", "distance": 2.913, "atom1_id": "///A/157/NH1", "atom2_id": "///A/165/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 172, "atom1_serNum": 1323, "atom2_serNum": 1383, "donAcc_type": "standard", "distance": 3.191, "atom1_id": "///A/157/NH2", "atom2_id": "///A/165/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 173, "atom1_serNum": 1328, "atom2_serNum": 1352, "donAcc_type": "standard", "distance": 3.118, "atom1_id": "///A/158/O", "atom2_id": "///A/162/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 174, "atom1_serNum": 1330, "atom2_serNum": 1347, "donAcc_type": "acceptable", "distance": 2.997, "atom1_id": "///A/158/OG", "atom2_id": "///A/161/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 175, "atom1_serNum": 1331, "atom2_serNum": 1562, "donAcc_type": "standard", "distance": 2.691, "atom1_id": "///A/159/N", "atom2_id": "///A/190/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 176, "atom1_serNum": 1334, "atom2_serNum": 1360, "donAcc_type": "standard", "distance": 3.067, "atom1_id": "///A/159/O", "atom2_id": "///A/163/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 177, "atom1_serNum": 1338, "atom2_serNum": 1551, "donAcc_type": "standard", "distance": 3.224, "atom1_id": "///A/160/N", "atom2_id": "///A/188/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 178, "atom1_serNum": 1341, "atom2_serNum": 1368, "donAcc_type": "standard", "distance": 3.066, "atom1_id": "///A/160/O", "atom2_id": "///A/164/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 179, "atom1_serNum": 1346, "atom2_serNum": 1441, "donAcc_type": "standard", "distance": 2.753, "atom1_id": "///A/160/NZ", "atom2_id": "///A/174/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 180, "atom1_serNum": 1346, "atom2_serNum": 1477, "donAcc_type": "standard", "distance": 2.666, "atom1_id": "///A/160/NZ", "atom2_id": "///A/178/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 181, "atom1_serNum": 1346, "atom2_serNum": 1980, "donAcc_type": "standard", "distance": 3.195, "atom1_id": "///A/160/NZ", "atom2_id": "///A/265/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 182, "atom1_serNum": 1346, "atom2_serNum": 1986, "donAcc_type": "acceptable", "distance": 2.868, "atom1_id": "///A/160/NZ", "atom2_id": "///A/266/OG1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 183, "atom1_serNum": 1350, "atom2_serNum": 1376, "donAcc_type": "standard", "distance": 3.222, "atom1_id": "///A/161/O", "atom2_id": "///A/165/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 184, "atom1_serNum": 1355, "atom2_serNum": 1376, "donAcc_type": "standard", "distance": 3.202, "atom1_id": "///A/162/O", "atom2_id": "///A/165/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 185, "atom1_serNum": 1371, "atom2_serNum": 1384, "donAcc_type": "standard", "distance": 3.280, "atom1_id": "///A/164/O", "atom2_id": "///A/166/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 186, "atom1_serNum": 1379, "atom2_serNum": 1397, "donAcc_type": "standard", "distance": 2.874, "atom1_id": "///A/165/O", "atom2_id": "///A/168/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 187, "atom1_serNum": 1379, "atom2_serNum": 1404, "donAcc_type": "standard", "distance": 3.360, "atom1_id": "///A/165/O", "atom2_id": "///A/169/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 188, "atom1_serNum": 1382, "atom2_serNum": 1390, "donAcc_type": "standard", "distance": 2.809, "atom1_id": "///A/165/OD1", "atom2_id": "///A/167/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 189, "atom1_serNum": 1382, "atom2_serNum": 1395, "donAcc_type": "acceptable", "distance": 2.808, "atom1_id": "///A/165/OD1", "atom2_id": "///A/167/OG1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 190, "atom1_serNum": 1407, "atom2_serNum": 1416, "donAcc_type": "standard", "distance": 3.350, "atom1_id": "///A/169/O", "atom2_id": "///A/171/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 191, "atom1_serNum": 1419, "atom2_serNum": 1431, "donAcc_type": "standard", "distance": 3.275, "atom1_id": "///A/171/O", "atom2_id": "///A/173/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 192, "atom1_serNum": 1434, "atom2_serNum": 1463, "donAcc_type": "standard", "distance": 2.942, "atom1_id": "///A/173/O", "atom2_id": "///A/177/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 193, "atom1_serNum": 1438, "atom2_serNum": 1470, "donAcc_type": "standard", "distance": 3.096, "atom1_id": "///A/174/O", "atom2_id": "///A/178/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 194, "atom1_serNum": 1442, "atom2_serNum": 1816, "donAcc_type": "acceptable", "distance": 3.952, "atom1_id": "///A/174/ND2", "atom2_id": "///A/242/OH", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 195, "atom1_serNum": 1442, "atom2_serNum": 1980, "donAcc_type": "standard", "distance": 3.301, "atom1_id": "///A/174/ND2", "atom2_id": "///A/265/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 196, "atom1_serNum": 1446, "atom2_serNum": 1478, "donAcc_type": "standard", "distance": 3.038, "atom1_id": "///A/175/O", "atom2_id": "///A/179/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 197, "atom1_serNum": 1454, "atom2_serNum": 1487, "donAcc_type": "standard", "distance": 2.880, "atom1_id": "///A/176/O", "atom2_id": "///A/180/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 198, "atom1_serNum": 1454, "atom2_serNum": 1492, "donAcc_type": "acceptable", "distance": 2.722, "atom1_id": "///A/176/O", "atom2_id": "///A/180/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 199, "atom1_serNum": 1466, "atom2_serNum": 1493, "donAcc_type": "standard", "distance": 2.970, "atom1_id": "///A/177/O", "atom2_id": "///A/181/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 200, "atom1_serNum": 1473, "atom2_serNum": 1501, "donAcc_type": "standard", "distance": 3.018, "atom1_id": "///A/178/O", "atom2_id": "///A/182/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 201, "atom1_serNum": 1476, "atom2_serNum": 1988, "donAcc_type": "standard", "distance": 2.825, "atom1_id": "///A/178/OD1", "atom2_id": "///A/267/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 202, "atom1_serNum": 1476, "atom2_serNum": 1994, "donAcc_type": "acceptable", "distance": 2.875, "atom1_id": "///A/178/OD1", "atom2_id": "///A/267/ND1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 203, "atom1_serNum": 1481, "atom2_serNum": 1512, "donAcc_type": "standard", "distance": 2.924, "atom1_id": "///A/179/O", "atom2_id": "///A/183/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 204, "atom1_serNum": 1485, "atom2_serNum": 1798, "donAcc_type": "standard", "distance": 2.775, "atom1_id": "///A/179/OE1", "atom2_id": "///A/241/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 205, "atom1_serNum": 1485, "atom2_serNum": 1805, "donAcc_type": "standard", "distance": 2.801, "atom1_id": "///A/179/OE1", "atom2_id": "///A/242/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 206, "atom1_serNum": 1486, "atom2_serNum": 1786, "donAcc_type": "standard", "distance": 2.749, "atom1_id": "///A/179/OE2", "atom2_id": "///A/240/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 207, "atom1_serNum": 1490, "atom2_serNum": 1523, "donAcc_type": "standard", "distance": 2.902, "atom1_id": "///A/180/O", "atom2_id": "///A/184/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 208, "atom1_serNum": 1492, "atom2_serNum": 1720, "donAcc_type": "acceptable", "distance": 3.521, "atom1_id": "///A/180/OG", "atom2_id": "///A/210/OG1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 209, "atom1_serNum": 1496, "atom2_serNum": 1528, "donAcc_type": "standard", "distance": 2.979, "atom1_id": "///A/181/O", "atom2_id": "///A/185/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 210, "atom1_serNum": 1496, "atom2_serNum": 1532, "donAcc_type": "standard", "distance": 2.976, "atom1_id": "///A/181/O", "atom2_id": "///A/186/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 211, "atom1_serNum": 1504, "atom2_serNum": 1528, "donAcc_type": "standard", "distance": 3.019, "atom1_id": "///A/182/O", "atom2_id": "///A/185/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 212, "atom1_serNum": 1515, "atom2_serNum": 1658, "donAcc_type": "standard", "distance": 2.797, "atom1_id": "///A/183/O", "atom2_id": "///A/202/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 213, "atom1_serNum": 1519, "atom2_serNum": 1693, "donAcc_type": "standard", "distance": 3.450, "atom1_id": "///A/183/NE", "atom2_id": "///A/206/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 214, "atom1_serNum": 1521, "atom2_serNum": 1742, "donAcc_type": "standard", "distance": 3.303, "atom1_id": "///A/183/NH1", "atom2_id": "///A/213/OE2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 215, "atom1_serNum": 1522, "atom2_serNum": 1741, "donAcc_type": "standard", "distance": 2.984, "atom1_id": "///A/183/NH2", "atom2_id": "///A/213/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 216, "atom1_serNum": 1522, "atom2_serNum": 1742, "donAcc_type": "standard", "distance": 3.282, "atom1_id": "///A/183/NH2", "atom2_id": "///A/213/OE2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 217, "atom1_serNum": 1531, "atom2_serNum": 2049, "donAcc_type": "standard", "distance": 3.088, "atom1_id": "///A/185/O", "atom2_id": "///A/274/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 218, "atom1_serNum": 1535, "atom2_serNum": 2048, "donAcc_type": "standard", "distance": 2.881, "atom1_id": "///A/186/O", "atom2_id": "///A/273/NE2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 219, "atom1_serNum": 1540, "atom2_serNum": 2060, "donAcc_type": "standard", "distance": 2.960, "atom1_id": "///A/187/N", "atom2_id": "///A/274/OXT", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 220, "atom1_serNum": 1543, "atom2_serNum": 1559, "donAcc_type": "standard", "distance": 3.170, "atom1_id": "///A/187/O", "atom2_id": "///A/190/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 221, "atom1_serNum": 1566, "atom2_serNum": 1592, "donAcc_type": "acceptable", "distance": 2.978, "atom1_id": "///A/190/NE", "atom2_id": "///A/194/OG", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 222, "atom1_serNum": 1568, "atom2_serNum": 1630, "donAcc_type": "standard", "distance": 2.946, "atom1_id": "///A/190/NH1", "atom2_id": "///A/199/OE2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 223, "atom1_serNum": 1568, "atom2_serNum": 2052, "donAcc_type": "standard", "distance": 3.291, "atom1_id": "///A/190/NH1", "atom2_id": "///A/274/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 224, "atom1_serNum": 1568, "atom2_serNum": 2060, "donAcc_type": "standard", "distance": 2.888, "atom1_id": "///A/190/NH1", "atom2_id": "///A/274/OXT", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 225, "atom1_serNum": 1569, "atom2_serNum": 1590, "donAcc_type": "standard", "distance": 3.168, "atom1_id": "///A/190/NH2", "atom2_id": "///A/194/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 226, "atom1_serNum": 1569, "atom2_serNum": 1629, "donAcc_type": "standard", "distance": 2.939, "atom1_id": "///A/190/NH2", "atom2_id": "///A/199/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 227, "atom1_serNum": 1573, "atom2_serNum": 1587, "donAcc_type": "standard", "distance": 2.855, "atom1_id": "///A/191/O", "atom2_id": "///A/194/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 228, "atom1_serNum": 1573, "atom2_serNum": 1592, "donAcc_type": "acceptable", "distance": 2.630, "atom1_id": "///A/191/O", "atom2_id": "///A/194/OG", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 229, "atom1_serNum": 1580, "atom2_serNum": 1593, "donAcc_type": "standard", "distance": 3.307, "atom1_id": "///A/192/O", "atom2_id": "///A/195/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 230, "atom1_serNum": 1601, "atom2_serNum": 1629, "donAcc_type": "standard", "distance": 2.938, "atom1_id": "///A/196/N", "atom2_id": "///A/199/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 231, "atom1_serNum": 1604, "atom2_serNum": 1631, "donAcc_type": "standard", "distance": 2.929, "atom1_id": "///A/196/O", "atom2_id": "///A/200/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 232, "atom1_serNum": 1606, "atom2_serNum": 1622, "donAcc_type": "acceptable", "distance": 3.009, "atom1_id": "///A/196/OG", "atom2_id": "///A/199/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 233, "atom1_serNum": 1610, "atom2_serNum": 1639, "donAcc_type": "standard", "distance": 2.940, "atom1_id": "///A/197/O", "atom2_id": "///A/201/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 234, "atom1_serNum": 1616, "atom2_serNum": 1648, "donAcc_type": "standard", "distance": 2.975, "atom1_id": "///A/198/O", "atom2_id": "///A/202/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 235, "atom1_serNum": 1625, "atom2_serNum": 1659, "donAcc_type": "standard", "distance": 2.749, "atom1_id": "///A/199/O", "atom2_id": "///A/203/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 236, "atom1_serNum": 1634, "atom2_serNum": 1667, "donAcc_type": "standard", "distance": 2.892, "atom1_id": "///A/200/O", "atom2_id": "///A/204/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 237, "atom1_serNum": 1642, "atom2_serNum": 1677, "donAcc_type": "standard", "distance": 3.040, "atom1_id": "///A/201/O", "atom2_id": "///A/205/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 238, "atom1_serNum": 1651, "atom2_serNum": 1686, "donAcc_type": "standard", "distance": 2.910, "atom1_id": "///A/202/O", "atom2_id": "///A/206/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 239, "atom1_serNum": 1655, "atom2_serNum": 1694, "donAcc_type": "standard", "distance": 3.039, "atom1_id": "///A/202/NE", "atom2_id": "///A/206/OE2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 240, "atom1_serNum": 1662, "atom2_serNum": 1695, "donAcc_type": "standard", "distance": 2.842, "atom1_id": "///A/203/O", "atom2_id": "///A/207/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 241, "atom1_serNum": 1670, "atom2_serNum": 1703, "donAcc_type": "standard", "distance": 3.039, "atom1_id": "///A/204/O", "atom2_id": "///A/208/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 242, "atom1_serNum": 1680, "atom2_serNum": 1710, "donAcc_type": "standard", "distance": 3.015, "atom1_id": "///A/205/O", "atom2_id": "///A/209/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 243, "atom1_serNum": 1689, "atom2_serNum": 1715, "donAcc_type": "standard", "distance": 2.784, "atom1_id": "///A/206/O", "atom2_id": "///A/210/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 244, "atom1_serNum": 1689, "atom2_serNum": 1720, "donAcc_type": "acceptable", "distance": 2.697, "atom1_id": "///A/206/O", "atom2_id": "///A/210/OG1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 245, "atom1_serNum": 1698, "atom2_serNum": 1722, "donAcc_type": "standard", "distance": 3.022, "atom1_id": "///A/207/O", "atom2_id": "///A/211/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 246, "atom1_serNum": 1706, "atom2_serNum": 1730, "donAcc_type": "standard", "distance": 2.749, "atom1_id": "///A/208/O", "atom2_id": "///A/212/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 247, "atom1_serNum": 1713, "atom2_serNum": 1734, "donAcc_type": "standard", "distance": 2.862, "atom1_id": "///A/209/O", "atom2_id": "///A/213/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 248, "atom1_serNum": 1718, "atom2_serNum": 1743, "donAcc_type": "standard", "distance": 3.301, "atom1_id": "///A/210/O", "atom2_id": "///A/214/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 249, "atom1_serNum": 1725, "atom2_serNum": 1748, "donAcc_type": "standard", "distance": 2.895, "atom1_id": "///A/211/O", "atom2_id": "///A/215/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 250, "atom1_serNum": 1733, "atom2_serNum": 1755, "donAcc_type": "standard", "distance": 3.085, "atom1_id": "///A/212/O", "atom2_id": "///A/216/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 251, "atom1_serNum": 1737, "atom2_serNum": 1763, "donAcc_type": "standard", "distance": 3.222, "atom1_id": "///A/213/O", "atom2_id": "///A/217/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 252, "atom1_serNum": 1781, "atom2_serNum": 1874, "donAcc_type": "standard", "distance": 2.993, "atom1_id": "///A/239/O", "atom2_id": "///A/250/NZ", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 253, "atom1_serNum": 1789, "atom2_serNum": 1830, "donAcc_type": "standard", "distance": 2.983, "atom1_id": "///A/240/O", "atom2_id": "///A/244/NH1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 254, "atom1_serNum": 1801, "atom2_serNum": 1817, "donAcc_type": "standard", "distance": 3.091, "atom1_id": "///A/241/O", "atom2_id": "///A/243/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 255, "atom1_serNum": 1801, "atom2_serNum": 1821, "donAcc_type": "standard", "distance": 2.856, "atom1_id": "///A/241/O", "atom2_id": "///A/244/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 256, "atom1_serNum": 1824, "atom2_serNum": 1845, "donAcc_type": "standard", "distance": 2.909, "atom1_id": "///A/244/O", "atom2_id": "///A/247/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 257, "atom1_serNum": 1830, "atom2_serNum": 1856, "donAcc_type": "standard", "distance": 2.994, "atom1_id": "///A/244/NH1", "atom2_id": "///A/248/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 258, "atom1_serNum": 1831, "atom2_serNum": 1856, "donAcc_type": "standard", "distance": 2.869, "atom1_id": "///A/244/NH2", "atom2_id": "///A/248/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 259, "atom1_serNum": 1832, "atom2_serNum": 1839, "donAcc_type": "standard", "distance": 2.656, "atom1_id": "///A/245/N", "atom2_id": "///A/245/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 260, "atom1_serNum": 1841, "atom2_serNum": 1913, "donAcc_type": "standard", "distance": 2.889, "atom1_id": "///A/246/N", "atom2_id": "///A/256/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 261, "atom1_serNum": 1848, "atom2_serNum": 1910, "donAcc_type": "standard", "distance": 2.785, "atom1_id": "///A/247/O", "atom2_id": "///A/256/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 262, "atom1_serNum": 1860, "atom2_serNum": 1899, "donAcc_type": "standard", "distance": 2.745, "atom1_id": "///A/249/N", "atom2_id": "///A/254/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 263, "atom1_serNum": 1863, "atom2_serNum": 1892, "donAcc_type": "standard", "distance": 2.902, "atom1_id": "///A/249/O", "atom2_id": "///A/253/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 264, "atom1_serNum": 1918, "atom2_serNum": 2001, "donAcc_type": "standard", "distance": 2.875, "atom1_id": "///A/257/N", "atom2_id": "///A/268/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 265, "atom1_serNum": 1921, "atom2_serNum": 1998, "donAcc_type": "standard", "distance": 2.951, "atom1_id": "///A/257/O", "atom2_id": "///A/268/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 266, "atom1_serNum": 1926, "atom2_serNum": 2009, "donAcc_type": "acceptable", "distance": 3.256, "atom1_id": "///A/257/OE2", "atom2_id": "///A/268/OH", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 267, "atom1_serNum": 1936, "atom2_serNum": 1984, "donAcc_type": "standard", "distance": 2.892, "atom1_id": "///A/259/N", "atom2_id": "///A/266/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 268, "atom1_serNum": 1939, "atom2_serNum": 1981, "donAcc_type": "standard", "distance": 2.809, "atom1_id": "///A/259/O", "atom2_id": "///A/266/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 269, "atom1_serNum": 1950, "atom2_serNum": 1969, "donAcc_type": "standard", "distance": 3.000, "atom1_id": "///A/261/N", "atom2_id": "///A/264/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 270, "atom1_serNum": 1953, "atom2_serNum": 1966, "donAcc_type": "standard", "distance": 2.957, "atom1_id": "///A/261/O", "atom2_id": "///A/264/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 271, "atom1_serNum": 1965, "atom2_serNum": 1976, "donAcc_type": "standard", "distance": 3.094, "atom1_id": "///A/263/O", "atom2_id": "///A/264/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 272, "atom1_serNum": 1973, "atom2_serNum": 2499, "donAcc_type": "standard", "distance": 2.811, "atom1_id": "///A/264/NE", "atom2_id": "///C/9/OP2", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 273, "atom1_serNum": 1977, "atom2_serNum": 2476, "donAcc_type": "standard", "distance": 2.807, "atom1_id": "///A/265/N", "atom2_id": "///C/8/OP1", "atom_pair": "N:O", "residue_pair": "aa:nt" }, { "index": 274, "atom1_serNum": 2010, "atom2_serNum": 2047, "donAcc_type": "standard", "distance": 2.846, "atom1_id": "///A/269/N", "atom2_id": "///A/273/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 275, "atom1_serNum": 2013, "atom2_serNum": 2040, "donAcc_type": "standard", "distance": 3.082, "atom1_id": "///A/269/O", "atom2_id": "///A/273/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 276, "atom1_serNum": 2121, "atom2_serNum": 2639, "donAcc_type": "standard", "distance": 3.437, "atom1_id": "///B/3/O6", "atom2_id": "///C/15/N4", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 277, "atom1_serNum": 2122, "atom2_serNum": 2637, "donAcc_type": "standard", "distance": 3.132, "atom1_id": "///B/3/N1", "atom2_id": "///C/15/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 278, "atom1_serNum": 2124, "atom2_serNum": 2636, "donAcc_type": "standard", "distance": 2.792, "atom1_id": "///B/3/N2", "atom2_id": "///C/15/O2", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 279, "atom1_serNum": 2124, "atom2_serNum": 2637, "donAcc_type": "standard", "distance": 3.197, "atom1_id": "///B/3/N2", "atom2_id": "///C/15/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 280, "atom1_serNum": 2141, "atom2_serNum": 2619, "donAcc_type": "standard", "distance": 2.776, "atom1_id": "///B/4/N3", "atom2_id": "///C/14/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 281, "atom1_serNum": 2143, "atom2_serNum": 2618, "donAcc_type": "standard", "distance": 3.064, "atom1_id": "///B/4/O4", "atom2_id": "///C/14/N6", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 282, "atom1_serNum": 2163, "atom2_serNum": 2598, "donAcc_type": "standard", "distance": 2.908, "atom1_id": "///B/5/N6", "atom2_id": "///C/13/O4", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 283, "atom1_serNum": 2164, "atom2_serNum": 2596, "donAcc_type": "standard", "distance": 2.843, "atom1_id": "///B/5/N1", "atom2_id": "///C/13/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 284, "atom1_serNum": 2184, "atom2_serNum": 2579, "donAcc_type": "standard", "distance": 2.908, "atom1_id": "///B/6/O6", "atom2_id": "///C/12/N4", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 285, "atom1_serNum": 2185, "atom2_serNum": 2577, "donAcc_type": "standard", "distance": 2.856, "atom1_id": "///B/6/N1", "atom2_id": "///C/12/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 286, "atom1_serNum": 2187, "atom2_serNum": 2576, "donAcc_type": "standard", "distance": 2.830, "atom1_id": "///B/6/N2", "atom2_id": "///C/12/O2", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 287, "atom1_serNum": 2206, "atom2_serNum": 2548, "donAcc_type": "standard", "distance": 3.025, "atom1_id": "///B/7/N6", "atom2_id": "///C/11/O4", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 288, "atom1_serNum": 2207, "atom2_serNum": 2545, "donAcc_type": "questionable", "distance": 2.816, "atom1_id": "///B/7/N1", "atom2_id": "///C/11/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 289, "atom1_serNum": 2224, "atom2_serNum": 2537, "donAcc_type": "standard", "distance": 2.806, "atom1_id": "///B/8/O2", "atom2_id": "///C/10/N2", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 290, "atom1_serNum": 2225, "atom2_serNum": 2535, "donAcc_type": "standard", "distance": 2.960, "atom1_id": "///B/8/N3", "atom2_id": "///C/10/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 291, "atom1_serNum": 2227, "atom2_serNum": 2534, "donAcc_type": "standard", "distance": 3.023, "atom1_id": "///B/8/N4", "atom2_id": "///C/10/O6", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 292, "atom1_serNum": 2244, "atom2_serNum": 2514, "donAcc_type": "standard", "distance": 2.841, "atom1_id": "///B/9/N3", "atom2_id": "///C/9/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 293, "atom1_serNum": 2246, "atom2_serNum": 2513, "donAcc_type": "standard", "distance": 3.118, "atom1_id": "///B/9/O4", "atom2_id": "///C/9/N6", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 294, "atom1_serNum": 2263, "atom2_serNum": 2494, "donAcc_type": "standard", "distance": 2.940, "atom1_id": "///B/10/O2", "atom2_id": "///C/8/N2", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 295, "atom1_serNum": 2264, "atom2_serNum": 2492, "donAcc_type": "standard", "distance": 2.967, "atom1_id": "///B/10/N3", "atom2_id": "///C/8/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 296, "atom1_serNum": 2266, "atom2_serNum": 2491, "donAcc_type": "standard", "distance": 2.922, "atom1_id": "///B/10/N4", "atom2_id": "///C/8/O6", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 297, "atom1_serNum": 2285, "atom2_serNum": 2472, "donAcc_type": "standard", "distance": 2.908, "atom1_id": "///B/11/O6", "atom2_id": "///C/7/N4", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 298, "atom1_serNum": 2286, "atom2_serNum": 2470, "donAcc_type": "standard", "distance": 2.886, "atom1_id": "///B/11/N1", "atom2_id": "///C/7/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 299, "atom1_serNum": 2288, "atom2_serNum": 2469, "donAcc_type": "standard", "distance": 2.802, "atom1_id": "///B/11/N2", "atom2_id": "///C/7/O2", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 300, "atom1_serNum": 2307, "atom2_serNum": 2453, "donAcc_type": "standard", "distance": 3.081, "atom1_id": "///B/12/O6", "atom2_id": "///C/6/N4", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 301, "atom1_serNum": 2308, "atom2_serNum": 2451, "donAcc_type": "standard", "distance": 3.012, "atom1_id": "///B/12/N1", "atom2_id": "///C/6/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 302, "atom1_serNum": 2310, "atom2_serNum": 2450, "donAcc_type": "standard", "distance": 2.883, "atom1_id": "///B/12/N2", "atom2_id": "///C/6/O2", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 303, "atom1_serNum": 2329, "atom2_serNum": 2433, "donAcc_type": "standard", "distance": 3.094, "atom1_id": "///B/13/N6", "atom2_id": "///C/5/O4", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 304, "atom1_serNum": 2330, "atom2_serNum": 2431, "donAcc_type": "standard", "distance": 2.944, "atom1_id": "///B/13/N1", "atom2_id": "///C/5/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 305, "atom1_serNum": 2347, "atom2_serNum": 2414, "donAcc_type": "standard", "distance": 3.072, "atom1_id": "///B/14/O2", "atom2_id": "///C/4/N2", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 306, "atom1_serNum": 2348, "atom2_serNum": 2412, "donAcc_type": "standard", "distance": 3.130, "atom1_id": "///B/14/N3", "atom2_id": "///C/4/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 307, "atom1_serNum": 2350, "atom2_serNum": 2411, "donAcc_type": "standard", "distance": 3.138, "atom1_id": "///B/14/N4", "atom2_id": "///C/4/O6", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 308, "atom1_serNum": 2370, "atom2_serNum": 2390, "donAcc_type": "standard", "distance": 3.174, "atom1_id": "///B/15/N1", "atom2_id": "///C/3/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 309, "atom1_serNum": 2372, "atom2_serNum": 2389, "donAcc_type": "standard", "distance": 2.677, "atom1_id": "///B/15/N2", "atom2_id": "///C/3/O2", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 310, "atom1_serNum": 2372, "atom2_serNum": 2390, "donAcc_type": "standard", "distance": 2.690, "atom1_id": "///B/15/N2", "atom2_id": "///C/3/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" } ], "refCoords": { "purine": [ " 12 ATOMS, 12 BONDS", " 1 N -2.2500 5.0000 0.4000", " 2 N -2.2500 -0.5000 0.4000", " 3 N -2.2500 -0.5000 -0.4000", " 4 N -2.2500 5.0000 -0.4000", " 5 C 1.2500 5.0000 0.4000", " 6 C 1.2500 -0.5000 0.4000", " 7 C 1.2500 -0.5000 -0.4000", " 8 C 1.2500 5.0000 -0.4000", " 9 C -2.2500 5.0000 0.4000", " 10 C -2.2500 -0.5000 0.4000", " 11 C -2.2500 -0.5000 -0.4000", " 12 C -2.2500 5.0000 -0.4000", " 1 1 2", " 2 2 3", " 3 3 4", " 4 4 1", " 5 5 6", " 6 6 7", " 7 7 8", " 8 5 8", " 9 9 5", " 10 10 6", " 11 11 7", " 12 12 8" ], "pyrimidine": [ " 12 ATOMS, 12 BONDS", " 1 N -2.2500 5.0000 0.4000", " 2 N -2.2500 1.0000 0.4000", " 3 N -2.2500 1.0000 -0.4000", " 4 N -2.2500 5.0000 -0.4000", " 5 C 1.2500 5.0000 0.4000", " 6 C 1.2500 1.0000 0.4000", " 7 C 1.2500 1.0000 -0.4000", " 8 C 1.2500 5.0000 -0.4000", " 9 C -2.2500 5.0000 0.4000", " 10 C -2.2500 1.0000 0.4000", " 11 C -2.2500 1.0000 -0.4000", " 12 C -2.2500 5.0000 -0.4000", " 1 1 2", " 2 2 3", " 3 3 4", " 4 4 1", " 5 5 6", " 6 6 7", " 7 7 8", " 8 5 8", " 9 9 5", " 10 10 6", " 11 11 7", " 12 12 8" ], "wc_pair": [ " 12 ATOMS, 12 BONDS", " 1 N -2.2500 5.0000 0.4000", " 2 N -2.2500 -5.0000 0.4000", " 3 N -2.2500 -5.0000 -0.4000", " 4 N -2.2500 5.0000 -0.4000", " 5 C 2.2500 5.0000 0.4000", " 6 C 2.2500 -5.0000 0.4000", " 7 C 2.2500 -5.0000 -0.4000", " 8 C 2.2500 5.0000 -0.4000", " 9 C -2.2500 5.0000 0.4000", " 10 C -2.2500 -5.0000 0.4000", " 11 C -2.2500 -5.0000 -0.4000", " 12 C -2.2500 5.0000 -0.4000", " 1 1 2", " 2 2 3", " 3 3 4", " 4 4 1", " 5 5 6", " 6 6 7", " 7 7 8", " 8 5 8", " 9 9 5", " 10 10 6", " 11 11 7", " 12 12 8" ] }, "metadata": { "license": "http://innovation.columbia.edu/technologies/CU20391", "url": "http://x3dna.org/", "url_alt": "http://home.x3dna.org/", "forum": "http://forum.x3dna.org/", "citation": "Lu et al. (2015). 'DSSR: an integrated software tool for dissecting the spatial structure of RNA.' Nucleic Acids Res., 43(21):e142 [doi:10.1093/nar/gkv716].", "str_id": "4g4n", "num_aaChains": 1, "aaChains": "A=253", "num_naChains": 2, "naChains": "B=15,C=13", "num_atoms": 2834, "num_waters": 265, "num_metals": 1, "metals_desc": "Zn=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-iloops.pdb", "desc": "an ensemble of internal loops" }, { "index": 5, "name": "dssr-2ndstrs.bpseq", "desc": "secondary structure in bpseq format" }, { "index": 6, "name": "dssr-2ndstrs.ct", "desc": "secondary structure in connectivity table format" }, { "index": 7, "name": "dssr-2ndstrs.dbn", "desc": "secondary structure in dot-bracket notation" }, { "index": 8, "name": "dssr-torsions.txt", "desc": "backbone torsion angles and suite names" }, { "index": 9, "name": "dssr-stacks.pdb", "desc": "an ensemble of base stacks" }, { "index": 10, "name": "dssr-rotmat.txt", "desc": "position vector and rotation matrix" }, { "index": 11, "name": "dssr-viewV.pdb", "desc": "vertical view of the principal moment of inertia" }, { "index": 12, "name": "dssr-viewH.pdb", "desc": "horizontal view of the principal moment of inertia" }, { "index": 13, "name": "dssr-viewT.pdb", "desc": "top view of the principal moment of inertia" } ], "time_used": "999" } }