{ "num_pairs": 14, "pairs": [ { "index": 1, "nt1": "///A/202", "nt2": "///B/230", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -140.452, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 53.729, "chi2": -138.527, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 52.745, "C1C1_dist": 10.884, "N1N9_dist": 9.141, "C6C8_dist": 10.058, "CNNC_torsion": -24.994, "hbonds_num": 3, "hbonds_desc": "O6(carbonyl)-N4(amino)[3.30],N1(imino)-N3[3.12],N2(amino)-O2(carbonyl)[2.98]", "interBase_angle": 13.315, "planarity": 0.214, "simple_Shear": -0.052, "simple_Stretch": 0.062, "simple_Buckle": -3.684, "simple_Propeller": -12.795, "bp_simpleParams": [ -0.052, 0.062, 0.496, -3.684, -12.795, -0.226 ], "bp_params": [ -0.052, 0.062, 0.496, -3.674, -12.798, -0.228 ], "frame": { "rmsd": null, "origin": [ -24.484, 20.994, 0.320 ], "x_axis": [ 0.172, -0.985, 0.025 ], "y_axis": [ 0.208, 0.012, -0.978 ], "z_axis": [ 0.963, 0.173, 0.207 ], "quaternion": [ 0.589, -0.488, 0.398, -0.506 ] } }, { "index": 2, "nt1": "///A/203", "nt2": "///B/229", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -132.428, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 49.977, "chi2": -125.250, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 51.814, "C1C1_dist": 11.182, "N1N9_dist": 9.351, "C6C8_dist": 10.125, "CNNC_torsion": -16.295, "hbonds_num": 2, "hbonds_desc": "N3(imino)-N1[3.21],O4(carbonyl)-N6(amino)[3.18]", "interBase_angle": 12.927, "planarity": 0.175, "simple_Shear": -0.424, "simple_Stretch": 0.219, "simple_Buckle": -7.574, "simple_Propeller": -10.476, "bp_simpleParams": [ -0.424, 0.219, 0.495, -7.574, -10.476, -8.438 ], "bp_params": [ -0.433, 0.200, 0.495, -7.098, -10.804, -8.459 ], "frame": { "rmsd": null, "origin": [ -21.316, 21.535, 1.920 ], "x_axis": [ 0.250, -0.810, -0.531 ], "y_axis": [ 0.065, 0.561, -0.825 ], "z_axis": [ 0.966, 0.172, 0.192 ], "quaternion": [ 0.708, -0.352, 0.529, -0.309 ] } }, { "index": 3, "nt1": "///A/204", "nt2": "///B/228", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -116.269, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 55.617, "chi2": -96.818, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 56.565, "C1C1_dist": 10.387, "N1N9_dist": 8.762, "C6C8_dist": 9.770, "CNNC_torsion": -4.952, "hbonds_num": 2, "hbonds_desc": "N6(amino)-O4(carbonyl)[2.94],N1-N3(imino)[2.78]", "interBase_angle": 10.472, "planarity": 0.142, "simple_Shear": -0.013, "simple_Stretch": -0.159, "simple_Buckle": -6.409, "simple_Propeller": -8.281, "bp_simpleParams": [ -0.013, -0.159, -0.029, -6.409, -8.281, 1.873 ], "bp_params": [ -0.013, -0.159, -0.029, -6.441, -8.256, 1.875 ], "frame": { "rmsd": null, "origin": [ -17.900, 22.152, 2.119 ], "x_axis": [ 0.299, -0.216, -0.929 ], "y_axis": [ -0.065, 0.967, -0.246 ], "z_axis": [ 0.952, 0.134, 0.275 ], "quaternion": [ 0.797, -0.119, 0.590, -0.048 ] } }, { "index": 4, "nt1": "///A/205", "nt2": "///B/227", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -109.628, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 59.155, "chi2": -107.298, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 50.519, "C1C1_dist": 10.350, "N1N9_dist": 8.695, "C6C8_dist": 9.629, "CNNC_torsion": -3.638, "hbonds_num": 2, "hbonds_desc": "N3(imino)-N1[2.79],O4(carbonyl)-N6(amino)[2.77]", "interBase_angle": 3.603, "planarity": 0.083, "simple_Shear": 0.447, "simple_Stretch": -0.307, "simple_Buckle": -2.637, "simple_Propeller": 2.455, "bp_simpleParams": [ 0.447, -0.307, 0.363, -2.637, 2.455, -1.555 ], "bp_params": [ 0.433, -0.325, 0.363, -2.533, 2.562, -1.555 ], "frame": { "rmsd": null, "origin": [ -14.573, 22.076, 3.100 ], "x_axis": [ 0.119, 0.220, -0.968 ], "y_axis": [ -0.188, 0.962, 0.195 ], "z_axis": [ 0.975, 0.159, 0.156 ], "quaternion": [ 0.748, 0.012, 0.649, 0.136 ] } }, { "index": 5, "nt1": "///A/206", "nt2": "///B/226", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -104.533, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 54.522, "chi2": -139.657, "conf2": "anti", "pucker2": "----", "lambda2": 46.631, "C1C1_dist": 10.760, "N1N9_dist": 8.915, "C6C8_dist": 9.682, "CNNC_torsion": -17.578, "hbonds_num": 3, "hbonds_desc": "O6(carbonyl)-N4(amino)[2.77],N1(imino)-N3[2.81],N2(amino)-O2(carbonyl)[2.99]", "interBase_angle": 16.201, "planarity": 0.207, "simple_Shear": 0.312, "simple_Stretch": -0.269, "simple_Buckle": 0.825, "simple_Propeller": -16.180, "bp_simpleParams": [ 0.312, -0.269, 0.172, 0.825, -16.180, -6.859 ], "bp_params": [ 0.302, -0.280, 0.172, 0.253, -16.199, -6.927 ], "frame": { "rmsd": null, "origin": [ -11.549, 22.592, 4.695 ], "x_axis": [ -0.167, 0.726, -0.668 ], "y_axis": [ -0.209, 0.636, 0.743 ], "z_axis": [ 0.964, 0.263, 0.046 ], "quaternion": [ 0.615, 0.195, 0.663, 0.380 ] } }, { "index": 6, "nt1": "///A/207", "nt2": "///B/225", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -96.655, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 55.315, "chi2": -106.916, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 55.528, "C1C1_dist": 10.638, "N1N9_dist": 8.975, "C6C8_dist": 9.931, "CNNC_torsion": -6.012, "hbonds_num": 3, "hbonds_desc": "O2(carbonyl)-N2(amino)[2.85],N3-N1(imino)[2.98],N4(amino)-O6(carbonyl)[3.12]", "interBase_angle": 16.350, "planarity": 0.185, "simple_Shear": 0.031, "simple_Stretch": -0.035, "simple_Buckle": 12.900, "simple_Propeller": -10.046, "bp_simpleParams": [ 0.031, -0.035, -0.668, 12.900, -10.046, 2.666 ], "bp_params": [ 0.032, -0.035, -0.668, 12.982, -9.939, 2.659 ], "frame": { "rmsd": null, "origin": [ -8.590, 24.229, 4.653 ], "x_axis": [ -0.040, 0.994, -0.099 ], "y_axis": [ 0.066, 0.102, 0.993 ], "z_axis": [ 0.997, 0.034, -0.069 ], "quaternion": [ 0.498, 0.481, 0.550, 0.466 ] } }, { "index": 7, "nt1": "///A/208", "nt2": "///B/224", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -102.049, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 61.319, "chi2": -138.391, "conf2": "anti", "pucker2": "----", "lambda2": 51.740, "C1C1_dist": 10.322, "N1N9_dist": 8.729, "C6C8_dist": 9.772, "CNNC_torsion": -10.658, "hbonds_num": 2, "hbonds_desc": "N6(amino)-O4(carbonyl)[3.23],N1-N3(imino)[2.82]", "interBase_angle": 17.623, "planarity": 0.192, "simple_Shear": 0.761, "simple_Stretch": -0.037, "simple_Buckle": 16.475, "simple_Propeller": -6.257, "bp_simpleParams": [ 0.761, -0.037, 0.423, 16.475, -6.257, 4.208 ], "bp_params": [ 0.756, -0.095, 0.423, 15.964, -7.465, 4.176 ], "frame": { "rmsd": null, "origin": [ -5.328, 25.422, 5.162 ], "x_axis": [ -0.211, 0.834, 0.510 ], "y_axis": [ 0.066, -0.509, 0.858 ], "z_axis": [ 0.975, 0.215, 0.052 ], "quaternion": [ 0.288, 0.558, 0.403, 0.666 ] } }, { "index": 8, "nt1": "///A/209", "nt2": "///B/223", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -125.421, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 60.508, "chi2": -130.326, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 53.494, "C1C1_dist": 10.292, "N1N9_dist": 8.726, "C6C8_dist": 9.816, "CNNC_torsion": -24.910, "hbonds_num": 2, "hbonds_desc": "N6(amino)-O4(carbonyl)[3.30],N1-N3(imino)[2.78]", "interBase_angle": 25.948, "planarity": 0.340, "simple_Shear": 0.529, "simple_Stretch": -0.085, "simple_Buckle": 2.274, "simple_Propeller": -25.849, "bp_simpleParams": [ 0.529, -0.085, 0.148, 2.274, -25.849, 6.807 ], "bp_params": [ 0.524, -0.115, 0.148, 0.783, -25.937, 6.985 ], "frame": { "rmsd": null, "origin": [ -1.419, 25.320, 4.651 ], "x_axis": [ -0.051, 0.351, 0.935 ], "y_axis": [ 0.137, -0.925, 0.355 ], "z_axis": [ 0.989, 0.146, -0.001 ], "quaternion": [ 0.076, 0.685, 0.178, 0.703 ] } }, { "index": 9, "nt1": "///A/210", "nt2": "///B/222", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -139.195, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 53.428, "chi2": -135.821, "conf2": "anti", "pucker2": "----", "lambda2": 57.805, "C1C1_dist": 10.477, "N1N9_dist": 8.815, "C6C8_dist": 9.869, "CNNC_torsion": -15.634, "hbonds_num": 2, "hbonds_desc": "N6(amino)-O4(carbonyl)[3.25],N1-N3(imino)[2.94]", "interBase_angle": 14.543, "planarity": 0.213, "simple_Shear": -0.574, "simple_Stretch": -0.048, "simple_Buckle": -7.294, "simple_Propeller": -12.581, "bp_simpleParams": [ -0.574, -0.048, 0.295, -7.294, -12.581, 4.888 ], "bp_params": [ -0.571, -0.076, 0.295, -6.644, -12.936, 4.911 ], "frame": { "rmsd": null, "origin": [ 1.944, 26.003, 4.940 ], "x_axis": [ 0.073, -0.203, 0.976 ], "y_axis": [ 0.060, -0.976, -0.208 ], "z_axis": [ 0.996, 0.074, -0.059 ], "quaternion": [ -0.097, 0.726, -0.049, 0.679 ] } }, { "index": 10, "nt1": "///A/211", "nt2": "///B/221", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -148.860, "conf1": "anti", "pucker1": "~C3'-endo", "lambda1": 62.207, "chi2": -99.100, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 54.782, "C1C1_dist": 10.298, "N1N9_dist": 8.767, "C6C8_dist": 9.813, "CNNC_torsion": -21.078, "hbonds_num": 2, "hbonds_desc": "N3(imino)-N1[2.86],O4(carbonyl)-N6(amino)[3.27]", "interBase_angle": 25.276, "planarity": 0.303, "simple_Shear": 0.182, "simple_Stretch": -0.027, "simple_Buckle": -15.684, "simple_Propeller": -19.821, "bp_simpleParams": [ 0.182, -0.027, 0.318, -15.684, -19.821, 5.692 ], "bp_params": [ 0.181, -0.031, 0.318, -16.126, -19.463, 5.720 ], "frame": { "rmsd": null, "origin": [ 5.595, 26.971, 4.568 ], "x_axis": [ 0.099, -0.726, 0.680 ], "y_axis": [ 0.007, -0.683, -0.730 ], "z_axis": [ 0.995, 0.077, -0.063 ], "quaternion": [ -0.297, 0.679, -0.265, 0.617 ] } }, { "index": 11, "nt1": "///A/212", "nt2": "///B/220", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -92.767, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 57.364, "chi2": -127.899, "conf2": "anti", "pucker2": "----", "lambda2": 55.239, "C1C1_dist": 10.369, "N1N9_dist": 8.745, "C6C8_dist": 9.783, "CNNC_torsion": -4.343, "hbonds_num": 2, "hbonds_desc": "N6(amino)-O4(carbonyl)[3.05],N1-N3(imino)[2.75]", "interBase_angle": 1.826, "planarity": 0.036, "simple_Shear": 0.349, "simple_Stretch": -0.156, "simple_Buckle": 1.805, "simple_Propeller": 0.278, "bp_simpleParams": [ 0.349, -0.156, -0.003, 1.805, 0.278, 3.281 ], "bp_params": [ 0.342, -0.170, -0.003, 1.815, 0.206, 3.280 ], "frame": { "rmsd": null, "origin": [ 8.279, 27.707, 3.386 ], "x_axis": [ -0.004, -0.998, 0.068 ], "y_axis": [ -0.125, -0.067, -0.990 ], "z_axis": [ 0.992, -0.013, -0.124 ], "quaternion": [ -0.449, 0.545, -0.515, 0.487 ] } }, { "index": 12, "nt1": "///A/213", "nt2": "///B/219", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -98.709, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 60.366, "chi2": -117.563, "conf2": "anti", "pucker2": "~C2'-endo", "lambda2": 51.247, "C1C1_dist": 10.698, "N1N9_dist": 9.065, "C6C8_dist": 9.970, "CNNC_torsion": -11.512, "hbonds_num": 2, "hbonds_desc": "N6(amino)-O4(carbonyl)[2.91],N1-N3(imino)[2.99]", "interBase_angle": 5.874, "planarity": 0.094, "simple_Shear": 1.034, "simple_Stretch": 0.075, "simple_Buckle": 2.949, "simple_Propeller": -5.080, "bp_simpleParams": [ 1.034, 0.075, 0.058, 2.949, -5.080, -3.183 ], "bp_params": [ 1.036, -0.035, 0.058, 2.395, -5.364, -3.185 ], "frame": { "rmsd": null, "origin": [ 11.487, 28.019, 3.240 ], "x_axis": [ -0.180, -0.864, -0.471 ], "y_axis": [ -0.079, 0.490, -0.868 ], "z_axis": [ 0.980, -0.119, -0.156 ], "quaternion": [ 0.537, -0.349, 0.676, -0.366 ] } }, { "index": 13, "nt1": "///A/214", "nt2": "///B/218", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -124.599, "conf1": "anti", "pucker1": "----", "lambda1": 56.802, "chi2": -160.715, "conf2": "anti", "pucker2": "~C3'-endo", "lambda2": 56.587, "C1C1_dist": 10.534, "N1N9_dist": 8.930, "C6C8_dist": 9.926, "CNNC_torsion": -12.801, "hbonds_num": 3, "hbonds_desc": "O6(carbonyl)-N4(amino)[3.14],N1(imino)-N3[2.88],N2(amino)-O2(carbonyl)[2.62]", "interBase_angle": 11.550, "planarity": 0.162, "simple_Shear": -0.042, "simple_Stretch": -0.086, "simple_Buckle": 2.971, "simple_Propeller": -11.161, "bp_simpleParams": [ -0.042, -0.086, 0.424, 2.971, -11.161, 3.869 ], "bp_params": [ -0.042, -0.086, 0.424, 2.968, -11.162, 3.886 ], "frame": { "rmsd": null, "origin": [ 14.728, 26.874, 2.395 ], "x_axis": [ -0.359, -0.487, -0.796 ], "y_axis": [ -0.025, 0.858, -0.514 ], "z_axis": [ 0.933, -0.165, -0.320 ], "quaternion": [ 0.543, -0.161, 0.796, -0.213 ] } }, { "index": 14, "nt1": "///A/215", "nt2": "///B/217", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "intra_chain": false, "chi1": -151.573, "conf1": "anti", "pucker1": "~C2'-endo", "lambda1": 53.581, "chi2": -142.211, "conf2": "anti", "pucker2": "~C3'-endo", "lambda2": 52.989, "C1C1_dist": 10.652, "N1N9_dist": 8.883, "C6C8_dist": 9.688, "CNNC_torsion": -5.111, "hbonds_num": 3, "hbonds_desc": "O6(carbonyl)-N4(amino)[2.63],N1(imino)-N3[2.76],N2(amino)-O2(carbonyl)[2.78]", "interBase_angle": 6.175, "planarity": 0.073, "simple_Shear": -0.129, "simple_Stretch": -0.306, "simple_Buckle": -1.582, "simple_Propeller": -5.969, "bp_simpleParams": [ -0.129, -0.306, -0.062, -1.582, -5.969, -3.583 ], "bp_params": [ -0.127, -0.307, -0.062, -1.539, -5.980, -3.588 ], "frame": { "rmsd": null, "origin": [ 17.891, 25.677, 1.479 ], "x_axis": [ -0.202, 0.083, -0.976 ], "y_axis": [ 0.226, 0.974, 0.036 ], "z_axis": [ 0.953, -0.213, -0.215 ], "quaternion": [ 0.624, 0.100, 0.773, -0.057 ] } } ], "num_helices": 1, "helices": [ { "index": 1, "num_stems": 1, "strand1": "GTATGCAAATAAGG", "strand2": "CATACGTTTATTCC", "bp_type": "||||||||||||||", "helix_form": "BBBBBBBBBBBBB", "helical_rise": 3.310, "helical_rise_std": 0.683, "helical_radius": 9.474, "helical_radius_std": 1.657, "helical_axis": [ 0.995, 0.090, -0.045 ], "point1": [ -24.804, 22.397, 4.231 ], "point2": [ 18.136, 26.282, 2.300 ], "num_pairs": 14, "pairs": [ { "index": 1, "nt1": "///A/202", "nt2": "///B/230", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.052, 0.062, 0.496, -3.674, -12.798, -0.228 ], "step_params": [ -0.226, -0.898, 3.469, -0.790, 0.336, 34.201 ], "heli_params": [ -1.583, 0.252, 3.465, 0.572, 1.343, 34.212 ], "bp2_params": [ -0.433, 0.200, 0.495, -7.098, -10.804, -8.459 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.469, "simple_Twist": 36.079, "simple_hRise": 3.465, "simple_hTwist": 36.089 }, { "index": 2, "nt1": "///A/203", "nt2": "///B/229", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.433, 0.200, 0.495, -7.098, -10.804, -8.459 ], "step_params": [ 0.457, 0.423, 3.420, 4.513, -2.757, 41.924 ], "heli_params": [ 0.883, -0.149, 3.416, -3.834, -6.277, 42.242 ], "bp2_params": [ -0.013, -0.159, -0.029, -6.441, -8.256, 1.875 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.420, "simple_Twist": 39.483, "simple_hRise": 3.414, "simple_hTwist": 39.822 }, { "index": 3, "nt1": "///A/204", "nt2": "///B/228", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.013, -0.159, -0.029, -6.441, -8.256, 1.875 ], "step_params": [ -0.232, -0.582, 3.412, -1.468, 6.943, 26.500 ], "heli_params": [ -2.983, 0.119, 3.168, 14.811, 3.132, 27.417 ], "bp2_params": [ 0.433, -0.325, 0.363, -2.533, 2.562, -1.555 ], "groove_widths": [ 13.277, null, 17.521, null ], "simple_Rise": 3.412, "simple_Twist": 24.774, "simple_hRise": 3.143, "simple_hTwist": 25.755 }, { "index": 4, "nt1": "///A/205", "nt2": "///B/227", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.433, -0.325, 0.363, -2.533, 2.562, -1.555 ], "step_params": [ -1.179, 0.510, 3.211, -2.047, 8.494, 37.271 ], "heli_params": [ -0.300, 1.540, 3.302, 13.071, 3.150, 38.246 ], "bp2_params": [ 0.302, -0.280, 0.172, 0.253, -16.199, -6.927 ], "groove_widths": [ 13.663, 13.497, 15.650, 15.648 ], "simple_Rise": 3.211, "simple_Twist": 38.155, "simple_hRise": 3.302, "simple_hTwist": 39.106 }, { "index": 5, "nt1": "///A/206", "nt2": "///B/226", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.302, -0.280, 0.172, 0.253, -16.199, -6.927 ], "step_params": [ 1.079, 0.467, 3.171, 11.415, -9.576, 36.373 ], "heli_params": [ 1.845, -0.237, 3.143, -14.609, -17.416, 39.211 ], "bp2_params": [ 0.032, -0.035, -0.668, 12.982, -9.939, 2.659 ], "groove_widths": [ 12.696, 12.615, 18.694, 18.683 ], "simple_Rise": 3.171, "simple_Twist": 37.833, "simple_hRise": 3.152, "simple_hTwist": 40.561 }, { "index": 6, "nt1": "///A/207", "nt2": "///B/225", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.032, -0.035, -0.668, 12.982, -9.939, 2.659 ], "step_params": [ 0.875, 0.355, 3.380, -4.521, 11.748, 36.371 ], "heli_params": [ -0.979, -1.915, 3.212, 18.165, 6.991, 38.418 ], "bp2_params": [ 0.756, -0.095, 0.423, 15.964, -7.465, 4.176 ], "groove_widths": [ 11.010, 11.004, 17.567, 17.563 ], "simple_Rise": 3.380, "simple_Twist": 32.323, "simple_hRise": 3.167, "simple_hTwist": 34.627 }, { "index": 7, "nt1": "///A/208", "nt2": "///B/224", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.756, -0.095, 0.423, 15.964, -7.465, 4.176 ], "step_params": [ -0.985, 0.227, 3.812, -1.106, -4.891, 38.386 ], "heli_params": [ 1.042, 1.328, 3.782, -7.400, 1.674, 38.700 ], "bp2_params": [ 0.524, -0.115, 0.148, 0.783, -25.937, 6.985 ], "groove_widths": [ 10.450, 10.439, 19.505, 19.469 ], "simple_Rise": 3.812, "simple_Twist": 39.780, "simple_hRise": 3.784, "simple_hTwist": 40.082 }, { "index": 8, "nt1": "///A/209", "nt2": "///B/223", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.524, -0.115, 0.148, 0.783, -25.937, 6.985 ], "step_params": [ 0.413, -0.277, 3.408, -3.917, -3.668, 32.919 ], "heli_params": [ 0.151, -1.397, 3.348, -6.419, 6.856, 33.341 ], "bp2_params": [ -0.571, -0.076, 0.295, -6.644, -12.936, 4.911 ], "groove_widths": [ 9.901, 9.878, 19.164, 19.086 ], "simple_Rise": 3.408, "simple_Twist": 38.548, "simple_hRise": 3.363, "simple_hTwist": 38.905 }, { "index": 9, "nt1": "///A/210", "nt2": "///B/222", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.571, -0.076, 0.295, -6.644, -12.936, 4.911 ], "step_params": [ -0.465, -0.529, 3.729, 0.073, -0.283, 35.001 ], "heli_params": [ -0.832, 0.786, 3.732, -0.471, -0.122, 35.003 ], "bp2_params": [ 0.181, -0.031, 0.318, -16.126, -19.463, 5.720 ], "groove_widths": [ 10.148, 10.129, 18.982, 18.873 ], "simple_Rise": 3.729, "simple_Twist": 30.499, "simple_hRise": 3.732, "simple_hTwist": 30.501 }, { "index": 10, "nt1": "///A/211", "nt2": "///B/221", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.181, -0.031, 0.318, -16.126, -19.463, 5.720 ], "step_params": [ -0.961, 0.590, 2.806, -5.272, 3.313, 39.523 ], "heli_params": [ 0.526, 0.871, 2.943, 4.862, 7.738, 39.991 ], "bp2_params": [ 0.342, -0.170, -0.003, 1.815, 0.206, 3.280 ], "groove_widths": [ 12.105, 12.010, 16.798, 15.954 ], "simple_Rise": 2.806, "simple_Twist": 38.792, "simple_hRise": 2.945, "simple_hTwist": 39.270 }, { "index": 11, "nt1": "///A/212", "nt2": "///B/220", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.342, -0.170, -0.003, 1.815, 0.206, 3.280 ], "step_params": [ -0.578, -0.183, 3.169, -0.508, 6.414, 33.250 ], "heli_params": [ -1.313, 0.914, 3.089, 11.080, 0.878, 33.850 ], "bp2_params": [ 1.036, -0.035, 0.058, 2.395, -5.364, -3.185 ], "groove_widths": [ 13.526, null, 14.476, null ], "simple_Rise": 3.169, "simple_Twist": 29.832, "simple_hRise": 3.072, "simple_hTwist": 30.503 }, { "index": 12, "nt1": "///A/213", "nt2": "///B/219", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 1.036, -0.035, 0.058, 2.395, -5.364, -3.185 ], "step_params": [ 0.490, -0.437, 3.479, -5.071, 8.771, 29.454 ], "heli_params": [ -2.550, -1.917, 3.099, 16.643, 9.622, 31.111 ], "bp2_params": [ -0.042, -0.086, 0.424, 2.968, -11.162, 3.886 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.479, "simple_Twist": 35.305, "simple_hRise": 3.185, "simple_hTwist": 36.686 }, { "index": 13, "nt1": "///A/214", "nt2": "///B/218", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.042, -0.086, 0.424, 2.968, -11.162, 3.886 ], "step_params": [ 0.136, -0.535, 3.460, 4.048, -5.353, 35.617 ], "heli_params": [ -0.054, 0.392, 3.495, -8.656, -6.547, 36.224 ], "bp2_params": [ -0.127, -0.307, -0.062, -1.539, -5.980, -3.588 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.460, "simple_Twist": 35.878, "simple_hRise": 3.495, "simple_hTwist": 36.480 }, { "index": 14, "nt1": "///A/215", "nt2": "///B/217", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W" } ] } ], "num_stems": 1, "stems": [ { "index": 1, "helix_index": 1, "strand1": "GTATGCAAATAAGG", "strand2": "CATACGTTTATTCC", "bp_type": "||||||||||||||", "helix_form": "BBBBBBBBBBBBB", "helical_rise": 3.310, "helical_rise_std": 0.683, "helical_radius": 9.474, "helical_radius_std": 1.657, "helical_axis": [ 0.995, 0.090, -0.045 ], "point1": [ -24.804, 22.397, 4.231 ], "point2": [ 18.136, 26.282, 2.300 ], "num_pairs": 14, "pairs": [ { "index": 1, "nt1": "///A/202", "nt2": "///B/230", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.052, 0.062, 0.496, -3.674, -12.798, -0.228 ], "step_params": [ -0.226, -0.898, 3.469, -0.790, 0.336, 34.201 ], "heli_params": [ -1.583, 0.252, 3.465, 0.572, 1.343, 34.212 ], "bp2_params": [ -0.433, 0.200, 0.495, -7.098, -10.804, -8.459 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.469, "simple_Twist": 36.079, "simple_hRise": 3.465, "simple_hTwist": 36.089 }, { "index": 2, "nt1": "///A/203", "nt2": "///B/229", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.433, 0.200, 0.495, -7.098, -10.804, -8.459 ], "step_params": [ 0.457, 0.423, 3.420, 4.513, -2.757, 41.924 ], "heli_params": [ 0.883, -0.149, 3.416, -3.834, -6.277, 42.242 ], "bp2_params": [ -0.013, -0.159, -0.029, -6.441, -8.256, 1.875 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.420, "simple_Twist": 39.483, "simple_hRise": 3.414, "simple_hTwist": 39.822 }, { "index": 3, "nt1": "///A/204", "nt2": "///B/228", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.013, -0.159, -0.029, -6.441, -8.256, 1.875 ], "step_params": [ -0.232, -0.582, 3.412, -1.468, 6.943, 26.500 ], "heli_params": [ -2.983, 0.119, 3.168, 14.811, 3.132, 27.417 ], "bp2_params": [ 0.433, -0.325, 0.363, -2.533, 2.562, -1.555 ], "groove_widths": [ 13.277, null, 17.521, null ], "simple_Rise": 3.412, "simple_Twist": 24.774, "simple_hRise": 3.143, "simple_hTwist": 25.755 }, { "index": 4, "nt1": "///A/205", "nt2": "///B/227", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.433, -0.325, 0.363, -2.533, 2.562, -1.555 ], "step_params": [ -1.179, 0.510, 3.211, -2.047, 8.494, 37.271 ], "heli_params": [ -0.300, 1.540, 3.302, 13.071, 3.150, 38.246 ], "bp2_params": [ 0.302, -0.280, 0.172, 0.253, -16.199, -6.927 ], "groove_widths": [ 13.663, 13.497, 15.650, 15.648 ], "simple_Rise": 3.211, "simple_Twist": 38.155, "simple_hRise": 3.302, "simple_hTwist": 39.106 }, { "index": 5, "nt1": "///A/206", "nt2": "///B/226", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.302, -0.280, 0.172, 0.253, -16.199, -6.927 ], "step_params": [ 1.079, 0.467, 3.171, 11.415, -9.576, 36.373 ], "heli_params": [ 1.845, -0.237, 3.143, -14.609, -17.416, 39.211 ], "bp2_params": [ 0.032, -0.035, -0.668, 12.982, -9.939, 2.659 ], "groove_widths": [ 12.696, 12.615, 18.694, 18.683 ], "simple_Rise": 3.171, "simple_Twist": 37.833, "simple_hRise": 3.152, "simple_hTwist": 40.561 }, { "index": 6, "nt1": "///A/207", "nt2": "///B/225", "bp": "C-G", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.032, -0.035, -0.668, 12.982, -9.939, 2.659 ], "step_params": [ 0.875, 0.355, 3.380, -4.521, 11.748, 36.371 ], "heli_params": [ -0.979, -1.915, 3.212, 18.165, 6.991, 38.418 ], "bp2_params": [ 0.756, -0.095, 0.423, 15.964, -7.465, 4.176 ], "groove_widths": [ 11.010, 11.004, 17.567, 17.563 ], "simple_Rise": 3.380, "simple_Twist": 32.323, "simple_hRise": 3.167, "simple_hTwist": 34.627 }, { "index": 7, "nt1": "///A/208", "nt2": "///B/224", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.756, -0.095, 0.423, 15.964, -7.465, 4.176 ], "step_params": [ -0.985, 0.227, 3.812, -1.106, -4.891, 38.386 ], "heli_params": [ 1.042, 1.328, 3.782, -7.400, 1.674, 38.700 ], "bp2_params": [ 0.524, -0.115, 0.148, 0.783, -25.937, 6.985 ], "groove_widths": [ 10.450, 10.439, 19.505, 19.469 ], "simple_Rise": 3.812, "simple_Twist": 39.780, "simple_hRise": 3.784, "simple_hTwist": 40.082 }, { "index": 8, "nt1": "///A/209", "nt2": "///B/223", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.524, -0.115, 0.148, 0.783, -25.937, 6.985 ], "step_params": [ 0.413, -0.277, 3.408, -3.917, -3.668, 32.919 ], "heli_params": [ 0.151, -1.397, 3.348, -6.419, 6.856, 33.341 ], "bp2_params": [ -0.571, -0.076, 0.295, -6.644, -12.936, 4.911 ], "groove_widths": [ 9.901, 9.878, 19.164, 19.086 ], "simple_Rise": 3.408, "simple_Twist": 38.548, "simple_hRise": 3.363, "simple_hTwist": 38.905 }, { "index": 9, "nt1": "///A/210", "nt2": "///B/222", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.571, -0.076, 0.295, -6.644, -12.936, 4.911 ], "step_params": [ -0.465, -0.529, 3.729, 0.073, -0.283, 35.001 ], "heli_params": [ -0.832, 0.786, 3.732, -0.471, -0.122, 35.003 ], "bp2_params": [ 0.181, -0.031, 0.318, -16.126, -19.463, 5.720 ], "groove_widths": [ 10.148, 10.129, 18.982, 18.873 ], "simple_Rise": 3.729, "simple_Twist": 30.499, "simple_hRise": 3.732, "simple_hTwist": 30.501 }, { "index": 10, "nt1": "///A/211", "nt2": "///B/221", "bp": "T-A", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.181, -0.031, 0.318, -16.126, -19.463, 5.720 ], "step_params": [ -0.961, 0.590, 2.806, -5.272, 3.313, 39.523 ], "heli_params": [ 0.526, 0.871, 2.943, 4.862, 7.738, 39.991 ], "bp2_params": [ 0.342, -0.170, -0.003, 1.815, 0.206, 3.280 ], "groove_widths": [ 12.105, 12.010, 16.798, 15.954 ], "simple_Rise": 2.806, "simple_Twist": 38.792, "simple_hRise": 2.945, "simple_hTwist": 39.270 }, { "index": 11, "nt1": "///A/212", "nt2": "///B/220", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 0.342, -0.170, -0.003, 1.815, 0.206, 3.280 ], "step_params": [ -0.578, -0.183, 3.169, -0.508, 6.414, 33.250 ], "heli_params": [ -1.313, 0.914, 3.089, 11.080, 0.878, 33.850 ], "bp2_params": [ 1.036, -0.035, 0.058, 2.395, -5.364, -3.185 ], "groove_widths": [ 13.526, null, 14.476, null ], "simple_Rise": 3.169, "simple_Twist": 29.832, "simple_hRise": 3.072, "simple_hTwist": 30.503 }, { "index": 12, "nt1": "///A/213", "nt2": "///B/219", "bp": "A-T", "name": "WC", "Saenger": "20-XX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ 1.036, -0.035, 0.058, 2.395, -5.364, -3.185 ], "step_params": [ 0.490, -0.437, 3.479, -5.071, 8.771, 29.454 ], "heli_params": [ -2.550, -1.917, 3.099, 16.643, 9.622, 31.111 ], "bp2_params": [ -0.042, -0.086, 0.424, 2.968, -11.162, 3.886 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.479, "simple_Twist": 35.305, "simple_hRise": 3.185, "simple_hTwist": 36.686 }, { "index": 13, "nt1": "///A/214", "nt2": "///B/218", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W", "bp1_params": [ -0.042, -0.086, 0.424, 2.968, -11.162, 3.886 ], "step_params": [ 0.136, -0.535, 3.460, 4.048, -5.353, 35.617 ], "heli_params": [ -0.054, 0.392, 3.495, -8.656, -6.547, 36.224 ], "bp2_params": [ -0.127, -0.307, -0.062, -1.539, -5.980, -3.588 ], "groove_widths": [ null, null, null, null ], "simple_Rise": 3.460, "simple_Twist": 35.878, "simple_hRise": 3.495, "simple_hTwist": 36.480 }, { "index": 14, "nt1": "///A/215", "nt2": "///B/217", "bp": "G-C", "name": "WC", "Saenger": "19-XIX", "LW": "cWW", "DSSR": "cW-W" } ] } ], "num_stacks": 2, "stacks": [ { "index": 1, "num_nts": 2, "nts_short": "TG", "nts_long": "///A/201,///A/202" }, { "index": 2, "num_nts": 2, "nts_short": "AC", "nts_long": "///B/216,///B/217" } ], "num_ssSegments": 2, "ssSegments": [ { "index": 1, "num_nts": 1, "nts_short": "T", "nts_long": "///A/201" }, { "index": 2, "num_nts": 1, "nts_short": "A", "nts_long": "///B/216" } ], "dbn": { "all_chains": { "num_nts": 30, "num_chars": 31, "bseq": "TGTATGCAAATAAGG&ACCTTATTTGCATAC", "sstr": ".((((((((((((((&.))))))))))))))", "form": "B.B.BBBBBBBBB.-&.B.BBBB.BBBBBB-" }, "chain_A": { "num_nts": 15, "num_chars": 15, "bseq": "TGTATGCAAATAAGG", "sstr": ".((((((((((((((", "form": "B.B.BBBBBBBBB.-" }, "chain_B": { "num_nts": 15, "num_chars": 15, "bseq": "ACCTTATTTGCATAC", "sstr": ".))))))))))))))", "form": ".B.BBBB.BBBBBB-" } }, "chains": { "chain_A": { "num_nts": 15, "bseq": "TGTATGCAAATAAGG", "sstr": ".((((((((((((((", "form": "B.B.BBBBBBBBB.-", "helical_rise": 3.374, "helical_rise_std": 0.564, "helical_axis": [ 0.985, 0.170, 0.024 ], "point1": [ -27.001, 20.697, 2.405 ], "point2": [ 19.678, 28.753, 3.533 ], "num_chars": 43, "suite": "T!!G!!T!!A!!T4bG!!C!!A!!A!!A!!T1bA!!A!!G!!G" }, "chain_B": { "num_nts": 15, "bseq": "ACCTTATTTGCATAC", "sstr": ".))))))))))))))", "form": ".B.BBBB.BBBBBB-", "helical_rise": 3.301, "helical_rise_std": 0.695, "helical_axis": [ -0.989, -0.065, 0.132 ], "point1": [ 20.063, 25.691, 1.494 ], "point2": [ -25.780, 22.700, 7.593 ], "num_chars": 43, "suite": "A!!C!!C1bT!!T1bA!!T!!T!!T!!G!!C!!A!!T!!A!!C" } }, "num_nts": 30, "nts": [ { "index": 1, "index_chain": 1, "chain_name": "A", "nt_resnum": 201, "nt_name": "DT", "nt_code": "T", "nt_id": "///A/201", "linked_nts": [ null, "///A/202" ], "nt_type": "DNA", "dbn": ".", "summary": "anti,~C2'-endo,non-pair-contact,ss-non-loop", "alpha": null, "beta": null, "gamma": -163.019, "delta": 173.531, "epsilon": -150.095, "zeta": -176.575, "epsilon_zeta": 26.480, "bb_type": "--", "chi": -108.918, "glyco_bond": "anti", "C5prime_xyz": [ -1.726, 8.202, -1.130 ], "P_xyz": [ null, null, null ], "form": "B", "ssZp": 1.632, "Dp": 1.703, "splay_angle": 23.322, "splay_distance": 3.784, "splay_ratio": 0.202, "d22": null, "d64": null, "eta": null, "theta": null, "eta_prime": null, "theta_prime": null, "eta_base": null, "theta_base": null, "v0": -11.182, "v1": 39.411, "v2": -49.821, "v3": 44.882, "v4": -21.481, "amplitude": 50.084, "phase_angle": 185.872, "puckering": "C3'-exo", "sugar_class": "~C2'-endo", "bin": "inc", "cluster": "__", "suiteness": 0.000, "filter_rmsd": 0.107, "frame": { "rmsd": 0.014, "origin": [ -27.971, 21.262, -0.280 ], "x_axis": [ 0.012, -0.699, 0.715 ], "y_axis": [ 0.272, -0.686, -0.675 ], "z_axis": [ 0.962, 0.203, 0.182 ], "quaternion": [ -0.356, 0.616, -0.173, 0.681 ] } }, { "index": 2, "index_chain": 2, "chain_name": "A", "nt_resnum": 202, "nt_name": "DG", "nt_code": "G", "nt_id": "///A/202", "linked_nts": [ "///A/201", "///A/203" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix-end,stem-end", "alpha": 122.186, "beta": -98.545, "gamma": 167.410, "delta": 116.872, "epsilon": -161.373, "zeta": -90.023, "epsilon_zeta": -71.350, "bb_type": "BI", "chi": -140.452, "glyco_bond": "anti", "C5prime_xyz": [ -2.406, 8.936, -0.835 ], "P_xyz": [ -0.034, 9.120, -1.962 ], "form": ".", "ssZp": 2.094, "Dp": 2.443, "splay_angle": 20.543, "splay_distance": 3.611, "splay_ratio": 0.183, "d22": null, "d64": null, "eta": 162.389, "theta": -136.163, "eta_prime": -163.095, "theta_prime": -160.726, "eta_base": -103.314, "theta_base": -130.250, "v0": -42.677, "v1": 37.120, "v2": -20.574, "v3": -2.732, "v4": 27.527, "amplitude": 41.256, "phase_angle": 119.914, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.025, "frame": { "rmsd": 0.025, "origin": [ -24.243, 21.063, 0.340 ], "x_axis": [ 0.278, -0.959, 0.048 ], "y_axis": [ 0.178, 0.002, -0.984 ], "z_axis": [ 0.944, 0.282, 0.171 ], "quaternion": [ 0.602, -0.525, 0.372, -0.472 ] } }, { "index": 3, "index_chain": 3, "chain_name": "A", "nt_resnum": 203, "nt_name": "DT", "nt_code": "T", "nt_id": "///A/203", "linked_nts": [ "///A/202", "///A/204" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -81.113, "beta": 179.191, "gamma": 71.024, "delta": 115.173, "epsilon": 179.389, "zeta": -89.104, "epsilon_zeta": -91.507, "bb_type": "BI", "chi": -132.428, "glyco_bond": "anti", "C5prime_xyz": [ -2.804, 8.559, -1.398 ], "P_xyz": [ -0.803, 10.131, -1.506 ], "form": "B", "ssZp": 2.363, "Dp": 2.425, "splay_angle": 19.935, "splay_distance": 3.228, "splay_ratio": 0.173, "d22": null, "d64": null, "eta": 165.793, "theta": -159.563, "eta_prime": -169.647, "theta_prime": -166.316, "eta_base": -131.723, "theta_base": -110.456, "v0": -46.867, "v1": 40.016, "v2": -18.954, "v3": -7.238, "v4": 33.810, "amplitude": 45.685, "phase_angle": 114.512, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.099, "frame": { "rmsd": 0.019, "origin": [ -21.124, 21.809, 2.000 ], "x_axis": [ 0.338, -0.827, -0.450 ], "y_axis": [ 0.030, 0.488, -0.873 ], "z_axis": [ 0.941, 0.281, 0.190 ], "quaternion": [ 0.710, -0.406, 0.490, -0.302 ] } }, { "index": 4, "index_chain": 4, "chain_name": "A", "nt_resnum": 204, "nt_name": "DA", "nt_code": "A", "nt_id": "///A/204", "linked_nts": [ "///A/203", "///A/205" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -79.611, "beta": -175.562, "gamma": 71.503, "delta": 138.720, "epsilon": -179.302, "zeta": -78.399, "epsilon_zeta": -100.903, "bb_type": "BI", "chi": -116.269, "glyco_bond": "anti", "C5prime_xyz": [ -1.761, 8.290, -1.643 ], "P_xyz": [ 0.551, 9.195, -1.835 ], "form": ".", "ssZp": 2.074, "Dp": 2.114, "splay_angle": 20.809, "splay_distance": 3.649, "splay_ratio": 0.185, "d22": null, "d64": null, "eta": 172.225, "theta": -124.500, "eta_prime": -162.553, "theta_prime": -142.093, "eta_base": -102.989, "theta_base": -118.988, "v0": -21.811, "v1": 33.588, "v2": -30.755, "v3": 18.973, "v4": 1.585, "amplitude": 33.142, "phase_angle": 158.120, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.046, "frame": { "rmsd": 0.023, "origin": [ -17.911, 22.075, 2.140 ], "x_axis": [ 0.365, -0.188, -0.912 ], "y_axis": [ -0.123, 0.961, -0.248 ], "z_axis": [ 0.923, 0.203, 0.327 ], "quaternion": [ 0.814, -0.138, 0.563, -0.020 ] } }, { "index": 5, "index_chain": 5, "chain_name": "A", "nt_resnum": 205, "nt_name": "DT", "nt_code": "T", "nt_id": "///A/205", "linked_nts": [ "///A/204", "///A/206" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BII,canonical,non-pair-contact,helix,stem", "alpha": -98.229, "beta": -171.034, "gamma": 62.158, "delta": 140.502, "epsilon": -119.772, "zeta": -175.297, "epsilon_zeta": 55.525, "bb_type": "BII", "chi": -109.628, "glyco_bond": "anti", "C5prime_xyz": [ -3.155, 8.101, -1.904 ], "P_xyz": [ -1.366, 9.896, -2.350 ], "form": "B", "ssZp": 1.792, "Dp": 1.701, "splay_angle": 20.161, "splay_distance": 3.359, "splay_ratio": 0.183, "d22": null, "d64": null, "eta": 170.087, "theta": 171.733, "eta_prime": -164.454, "theta_prime": 176.543, "eta_base": -135.774, "theta_base": -142.336, "v0": -42.240, "v1": 49.543, "v2": -37.334, "v3": 14.657, "v4": 16.889, "amplitude": 48.239, "phase_angle": 140.710, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.091, "frame": { "rmsd": 0.024, "origin": [ -14.340, 21.996, 2.886 ], "x_axis": [ 0.100, 0.203, -0.974 ], "y_axis": [ -0.209, 0.962, 0.179 ], "z_axis": [ 0.973, 0.185, 0.139 ], "quaternion": [ 0.742, -0.002, 0.656, 0.139 ] } }, { "index": 6, "index_chain": 6, "chain_name": "A", "nt_resnum": 206, "nt_name": "DG", "nt_code": "G", "nt_id": "///A/206", "linked_nts": [ "///A/205", "///A/207" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -64.715, "beta": 146.883, "gamma": 38.779, "delta": 149.868, "epsilon": -166.817, "zeta": -105.376, "epsilon_zeta": -61.441, "bb_type": "BI", "chi": -104.533, "glyco_bond": "anti", "C5prime_xyz": [ -2.212, 8.132, -1.809 ], "P_xyz": [ 0.245, 8.574, -1.535 ], "form": "B", "ssZp": 2.037, "Dp": 2.164, "splay_angle": 18.255, "splay_distance": 3.002, "splay_ratio": 0.159, "d22": null, "d64": null, "eta": 161.439, "theta": -121.381, "eta_prime": -173.839, "theta_prime": -146.238, "eta_base": -132.905, "theta_base": -95.456, "v0": -22.076, "v1": 38.215, "v2": -38.700, "v3": 26.867, "v4": -3.374, "amplitude": 39.913, "phase_angle": 165.841, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "4b", "suiteness": 0.502, "filter_rmsd": 0.030, "frame": { "rmsd": 0.030, "origin": [ -11.461, 22.636, 4.495 ], "x_axis": [ -0.017, 0.716, -0.698 ], "y_axis": [ -0.208, 0.681, 0.702 ], "z_axis": [ 0.978, 0.157, 0.138 ], "quaternion": [ 0.671, 0.203, 0.624, 0.344 ] } }, { "index": 7, "index_chain": 7, "chain_name": "A", "nt_resnum": 207, "nt_name": "DC", "nt_code": "C", "nt_id": "///A/207", "linked_nts": [ "///A/206", "///A/208" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -74.812, "beta": 173.509, "gamma": 65.119, "delta": 132.351, "epsilon": -169.948, "zeta": -103.548, "epsilon_zeta": -66.400, "bb_type": "BI", "chi": -96.655, "glyco_bond": "anti", "C5prime_xyz": [ -3.068, 7.759, -2.493 ], "P_xyz": [ -1.003, 8.665, -3.558 ], "form": "B", "ssZp": 2.056, "Dp": 2.311, "splay_angle": 24.387, "splay_distance": 4.094, "splay_ratio": 0.211, "d22": null, "d64": null, "eta": 170.534, "theta": -143.577, "eta_prime": -161.710, "theta_prime": -155.620, "eta_base": -105.487, "theta_base": -110.709, "v0": -38.571, "v1": 40.237, "v2": -26.644, "v3": 5.192, "v4": 20.881, "amplitude": 40.653, "phase_angle": 130.950, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.059, "frame": { "rmsd": 0.013, "origin": [ -8.924, 24.232, 4.657 ], "x_axis": [ 0.050, 0.995, -0.087 ], "y_axis": [ 0.177, 0.077, 0.981 ], "z_axis": [ 0.983, -0.064, -0.172 ], "quaternion": [ 0.489, 0.535, 0.548, 0.419 ] } }, { "index": 8, "index_chain": 8, "chain_name": "A", "nt_resnum": 208, "nt_name": "DA", "nt_code": "A", "nt_id": "///A/208", "linked_nts": [ "///A/207", "///A/209" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BII,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -64.594, "beta": 176.731, "gamma": 56.050, "delta": 141.932, "epsilon": -104.635, "zeta": 158.274, "epsilon_zeta": 97.091, "bb_type": "BII", "chi": -102.049, "glyco_bond": "anti", "C5prime_xyz": [ -3.031, 7.798, -2.314 ], "P_xyz": [ -0.961, 9.167, -2.620 ], "form": "B", "ssZp": 0.772, "Dp": 0.971, "splay_angle": 23.260, "splay_distance": 3.878, "splay_ratio": 0.204, "d22": null, "d64": null, "eta": -166.141, "theta": -172.517, "eta_prime": -144.548, "theta_prime": 175.012, "eta_base": -103.570, "theta_base": -131.705, "v0": -49.703, "v1": 51.851, "v2": -37.284, "v3": 9.767, "v4": 24.689, "amplitude": 53.126, "phase_angle": 134.572, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.048, "frame": { "rmsd": 0.024, "origin": [ -5.205, 25.807, 5.325 ], "x_axis": [ -0.140, 0.830, 0.540 ], "y_axis": [ 0.207, -0.508, 0.836 ], "z_axis": [ 0.968, 0.229, -0.101 ], "quaternion": [ 0.251, 0.606, 0.428, 0.622 ] } }, { "index": 9, "index_chain": 9, "chain_name": "A", "nt_resnum": 209, "nt_name": "DA", "nt_code": "A", "nt_id": "///A/209", "linked_nts": [ "///A/208", "///A/210" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": 65.904, "beta": -150.605, "gamma": -150.315, "delta": 154.883, "epsilon": -157.675, "zeta": -88.303, "epsilon_zeta": -69.372, "bb_type": "BI", "chi": -125.421, "glyco_bond": "anti", "C5prime_xyz": [ -1.257, 8.154, -0.540 ], "P_xyz": [ 0.643, 8.921, -2.006 ], "form": "B", "ssZp": 2.244, "Dp": 2.384, "splay_angle": 20.368, "splay_distance": 3.499, "splay_ratio": 0.178, "d22": null, "d64": null, "eta": 171.693, "theta": -140.762, "eta_prime": -175.630, "theta_prime": -154.390, "eta_base": -122.117, "theta_base": -116.898, "v0": 5.257, "v1": 12.651, "v2": -24.854, "v3": 28.115, "v4": -21.131, "amplitude": 28.331, "phase_angle": 208.686, "puckering": "C3'-exo", "sugar_class": "~C2'-endo", "bin": "22t", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.044, "frame": { "rmsd": 0.025, "origin": [ -1.367, 25.476, 4.876 ], "x_axis": [ 0.180, 0.319, 0.931 ], "y_axis": [ 0.133, -0.945, 0.298 ], "z_axis": [ 0.975, 0.070, -0.213 ], "quaternion": [ 0.074, 0.765, 0.148, 0.623 ] } }, { "index": 10, "index_chain": 10, "chain_name": "A", "nt_resnum": 210, "nt_name": "DA", "nt_code": "A", "nt_id": "///A/210", "linked_nts": [ "///A/209", "///A/211" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -75.013, "beta": 158.894, "gamma": 68.754, "delta": 120.863, "epsilon": -165.889, "zeta": -97.360, "epsilon_zeta": -68.528, "bb_type": "BI", "chi": -139.195, "glyco_bond": "anti", "C5prime_xyz": [ -2.649, 8.786, -0.816 ], "P_xyz": [ -0.501, 9.955, -0.997 ], "form": "B", "ssZp": 2.433, "Dp": 2.498, "splay_angle": 21.987, "splay_distance": 3.784, "splay_ratio": 0.194, "d22": null, "d64": null, "eta": 164.339, "theta": -149.386, "eta_prime": -162.989, "theta_prime": -160.674, "eta_base": -116.619, "theta_base": -119.995, "v0": -39.632, "v1": 34.529, "v2": -17.396, "v3": -5.515, "v4": 28.865, "amplitude": 39.324, "phase_angle": 116.256, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.042, "frame": { "rmsd": 0.012, "origin": [ 2.068, 26.109, 4.660 ], "x_axis": [ 0.185, -0.239, 0.953 ], "y_axis": [ -0.006, -0.970, -0.242 ], "z_axis": [ 0.983, 0.040, -0.181 ], "quaternion": [ -0.092, 0.764, -0.080, 0.633 ] } }, { "index": 11, "index_chain": 11, "chain_name": "A", "nt_resnum": 211, "nt_name": "DT", "nt_code": "T", "nt_id": "///A/211", "linked_nts": [ "///A/210", "///A/212" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C3'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -79.449, "beta": 163.778, "gamma": 74.629, "delta": 90.857, "epsilon": -179.592, "zeta": -66.278, "epsilon_zeta": -113.315, "bb_type": "BI", "chi": -148.860, "glyco_bond": "anti", "C5prime_xyz": [ -2.756, 8.847, -0.711 ], "P_xyz": [ -0.553, 10.056, -0.833 ], "form": "B", "ssZp": 2.653, "Dp": 2.949, "splay_angle": 16.894, "splay_distance": 2.842, "splay_ratio": 0.152, "d22": null, "d64": null, "eta": 176.869, "theta": -161.730, "eta_prime": -165.921, "theta_prime": -159.680, "eta_base": -117.805, "theta_base": -126.650, "v0": -29.993, "v1": 7.963, "v2": 15.215, "v3": -32.533, "v4": 39.387, "amplitude": 38.808, "phase_angle": 66.917, "puckering": "C4'-exo", "sugar_class": "~C3'-endo", "bin": "23p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.109, "frame": { "rmsd": 0.029, "origin": [ 5.762, 26.928, 4.631 ], "x_axis": [ 0.259, -0.745, 0.615 ], "y_axis": [ -0.144, -0.659, -0.738 ], "z_axis": [ 0.955, 0.102, -0.278 ], "quaternion": [ -0.283, 0.741, -0.300, 0.530 ] } }, { "index": 12, "index_chain": 12, "chain_name": "A", "nt_resnum": 212, "nt_name": "DA", "nt_code": "A", "nt_id": "///A/212", "linked_nts": [ "///A/211", "///A/213" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -71.694, "beta": -153.933, "gamma": 46.701, "delta": 149.425, "epsilon": 172.472, "zeta": -90.616, "epsilon_zeta": -96.912, "bb_type": "BI", "chi": -92.767, "glyco_bond": "anti", "C5prime_xyz": [ -1.345, 7.630, -2.197 ], "P_xyz": [ 0.746, 8.819, -1.569 ], "form": "B", "ssZp": 0.912, "Dp": 1.177, "splay_angle": 18.836, "splay_distance": 3.172, "splay_ratio": 0.164, "d22": null, "d64": null, "eta": 172.129, "theta": -135.196, "eta_prime": -158.889, "theta_prime": -151.567, "eta_base": -125.650, "theta_base": -111.555, "v0": -4.239, "v1": 25.109, "v2": -35.244, "v3": 32.772, "v4": -18.892, "amplitude": 35.982, "phase_angle": 191.625, "puckering": "C3'-exo", "sugar_class": "~C2'-endo", "bin": "32p", "cluster": "1b", "suiteness": 0.218, "filter_rmsd": 0.050, "frame": { "rmsd": 0.032, "origin": [ 8.287, 27.542, 3.482 ], "x_axis": [ -0.009, -0.999, 0.040 ], "y_axis": [ -0.109, -0.039, -0.993 ], "z_axis": [ 0.994, -0.013, -0.108 ], "quaternion": [ -0.459, 0.533, -0.519, 0.485 ] } }, { "index": 13, "index_chain": 13, "chain_name": "A", "nt_resnum": 213, "nt_name": "DA", "nt_code": "A", "nt_id": "///A/213", "linked_nts": [ "///A/212", "///A/214" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -76.206, "beta": -175.904, "gamma": 55.610, "delta": 138.723, "epsilon": -167.310, "zeta": -107.800, "epsilon_zeta": -59.510, "bb_type": "BI", "chi": -98.709, "glyco_bond": "anti", "C5prime_xyz": [ -2.582, 7.861, -2.495 ], "P_xyz": [ -0.480, 9.373, -2.562 ], "form": "B", "ssZp": 1.365, "Dp": 1.883, "splay_angle": 21.079, "splay_distance": 3.647, "splay_ratio": 0.184, "d22": null, "d64": null, "eta": 165.200, "theta": -139.627, "eta_prime": -167.614, "theta_prime": -157.584, "eta_base": -126.291, "theta_base": -118.624, "v0": -25.363, "v1": 36.694, "v2": -33.688, "v3": 19.628, "v4": 3.540, "amplitude": 36.851, "phase_angle": 156.089, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.056, "frame": { "rmsd": 0.039, "origin": [ 11.424, 27.560, 3.007 ], "x_axis": [ -0.132, -0.882, -0.453 ], "y_axis": [ -0.062, 0.463, -0.884 ], "z_axis": [ 0.989, -0.089, -0.116 ], "quaternion": [ 0.551, -0.361, 0.654, -0.372 ] } }, { "index": 14, "index_chain": 14, "chain_name": "A", "nt_resnum": 214, "nt_name": "DG", "nt_code": "G", "nt_id": "///A/214", "linked_nts": [ "///A/213", "///A/215" ], "nt_type": "DNA", "dbn": "(", "summary": "anti,canonical,non-pair-contact,helix,stem", "alpha": -85.451, "beta": 170.666, "gamma": 58.704, "delta": 97.643, "epsilon": 84.849, "zeta": 79.166, "epsilon_zeta": 5.682, "bb_type": "--", "chi": -124.599, "glyco_bond": "anti", "C5prime_xyz": [ -2.978, 8.577, -1.517 ], "P_xyz": [ -0.765, 9.838, -2.248 ], "form": ".", "ssZp": 2.106, "Dp": 1.968, "splay_angle": 19.596, "splay_distance": 3.280, "splay_ratio": 0.174, "d22": null, "d64": null, "eta": 163.892, "theta": -139.173, "eta_prime": -171.073, "theta_prime": -168.585, "eta_base": -128.849, "theta_base": -127.489, "v0": -37.080, "v1": 21.266, "v2": 1.003, "v3": -22.126, "v4": 37.362, "amplitude": 38.300, "phase_angle": 88.499, "puckering": "O4'-endo", "sugar_class": "--", "bin": "23p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.014, "frame": { "rmsd": 0.014, "origin": [ 14.935, 26.812, 2.366 ], "x_axis": [ -0.267, -0.473, -0.840 ], "y_axis": [ 0.009, 0.870, -0.493 ], "z_axis": [ 0.964, -0.139, -0.228 ], "quaternion": [ 0.586, -0.151, 0.769, -0.205 ] } }, { "index": 15, "index_chain": 15, "chain_name": "A", "nt_resnum": 215, "nt_name": "DG", "nt_code": "G", "nt_id": "///A/215", "linked_nts": [ "///A/214", null ], "nt_type": "DNA", "dbn": "(", "summary": "anti,~C2'-endo,canonical,non-pair-contact,helix-end,stem-end", "alpha": 179.382, "beta": 47.918, "gamma": 171.042, "delta": 154.317, "epsilon": null, "zeta": null, "epsilon_zeta": null, "bb_type": "--", "chi": -151.573, "glyco_bond": "anti", "C5prime_xyz": [ -1.543, 8.466, 0.751 ], "P_xyz": [ -1.051, 9.586, -1.599 ], "form": "-", "ssZp": null, "Dp": null, "splay_angle": null, "splay_distance": null, "splay_ratio": null, "d22": null, "d64": null, "eta": null, "theta": null, "eta_prime": null, "theta_prime": null, "eta_base": null, "theta_base": null, "v0": -10.214, "v1": 29.652, "v2": -36.761, "v3": 31.222, "v4": -13.549, "amplitude": 36.796, "phase_angle": 182.482, "puckering": "C3'-exo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.027, "frame": { "rmsd": 0.027, "origin": [ 17.839, 25.529, 1.542 ], "x_axis": [ -0.159, 0.041, -0.986 ], "y_axis": [ 0.208, 0.978, 0.007 ], "z_axis": [ 0.965, -0.204, -0.164 ], "quaternion": [ 0.643, 0.082, 0.758, -0.065 ] } }, { "index": 16, "index_chain": 1, "chain_name": "B", "nt_resnum": 216, "nt_name": "DA", "nt_code": "A", "nt_id": "///B/216", "linked_nts": [ null, "///B/217" ], "nt_type": "DNA", "dbn": ".", "summary": "anti,~C3'-endo,non-pair-contact,ss-non-loop", "alpha": null, "beta": null, "gamma": 64.880, "delta": 100.654, "epsilon": -105.548, "zeta": -95.672, "epsilon_zeta": -9.876, "bb_type": "--", "chi": 161.101, "glyco_bond": "anti", "C5prime_xyz": [ -2.639, 7.653, 2.514 ], "P_xyz": [ null, null, null ], "form": ".", "ssZp": 2.807, "Dp": 3.346, "splay_angle": 19.179, "splay_distance": 3.382, "splay_ratio": 0.172, "d22": null, "d64": null, "eta": null, "theta": null, "eta_prime": null, "theta_prime": null, "eta_base": null, "theta_base": null, "v0": -1.278, "v1": -8.699, "v2": 14.657, "v3": -16.318, "v4": 11.022, "amplitude": 16.022, "phase_angle": 23.825, "puckering": "C3'-endo", "sugar_class": "~C3'-endo", "bin": "inc", "cluster": "__", "suiteness": 0.000, "filter_rmsd": 0.038, "frame": { "rmsd": 0.025, "origin": [ 20.613, 24.369, -0.063 ], "x_axis": [ -0.191, 0.585, -0.788 ], "y_axis": [ -0.190, -0.810, -0.555 ], "z_axis": [ -0.963, 0.044, 0.266 ], "quaternion": [ 0.257, -0.581, -0.170, 0.753 ] } }, { "index": 17, "index_chain": 2, "chain_name": "B", "nt_resnum": 217, "nt_name": "DC", "nt_code": "C", "nt_id": "///B/217", "linked_nts": [ "///B/216", "///B/218" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C3'-endo,canonical,non-pair-contact,helix-end,stem-end", "alpha": 150.070, "beta": -106.627, "gamma": 130.016, "delta": 68.000, "epsilon": 121.296, "zeta": -67.574, "epsilon_zeta": -171.129, "bb_type": "--", "chi": -142.211, "glyco_bond": "anti", "C5prime_xyz": [ -3.570, 8.823, -0.804 ], "P_xyz": [ -1.570, 9.930, -2.047 ], "form": "B", "ssZp": 3.123, "Dp": 3.129, "splay_angle": 23.672, "splay_distance": 3.735, "splay_ratio": 0.206, "d22": 4.601, "d64": 4.217, "eta": 126.465, "theta": 174.824, "eta_prime": 172.600, "theta_prime": 167.426, "eta_base": -155.991, "theta_base": -143.350, "v0": -41.293, "v1": 7.589, "v2": 27.160, "v3": -52.275, "v4": 59.353, "amplitude": 58.801, "phase_angle": 62.490, "puckering": "C4'-exo", "sugar_class": "~C3'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.066, "frame": { "rmsd": 0.023, "origin": [ 17.942, 25.825, 1.416 ], "x_axis": [ -0.244, 0.124, -0.962 ], "y_axis": [ -0.246, -0.967, -0.063 ], "z_axis": [ -0.938, 0.221, 0.266 ], "quaternion": [ 0.118, -0.604, 0.050, 0.787 ] } }, { "index": 18, "index_chain": 3, "chain_name": "B", "nt_resnum": 218, "nt_name": "DC", "nt_code": "C", "nt_id": "///B/218", "linked_nts": [ "///B/217", "///B/219" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C3'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -158.822, "beta": -150.614, "gamma": 129.400, "delta": 90.336, "epsilon": -169.277, "zeta": -48.343, "epsilon_zeta": -120.934, "bb_type": "BI", "chi": -160.715, "glyco_bond": "anti", "C5prime_xyz": [ -1.245, 8.649, 0.655 ], "P_xyz": [ 1.157, 8.865, 0.213 ], "form": ".", "ssZp": 3.872, "Dp": 4.097, "splay_angle": 21.714, "splay_distance": 3.509, "splay_ratio": 0.188, "d22": 4.792, "d64": 4.316, "eta": 177.532, "theta": -139.447, "eta_prime": -176.139, "theta_prime": -138.898, "eta_base": -121.933, "theta_base": -128.976, "v0": 1.277, "v1": -22.348, "v2": 33.623, "v3": -33.841, "v4": 20.829, "amplitude": 35.104, "phase_angle": 16.700, "puckering": "C3'-endo", "sugar_class": "~C3'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.066, "frame": { "rmsd": 0.008, "origin": [ 14.522, 26.935, 2.425 ], "x_axis": [ -0.446, -0.499, -0.743 ], "y_axis": [ 0.064, -0.846, 0.530 ], "z_axis": [ -0.893, 0.189, 0.409 ], "quaternion": [ -0.171, -0.498, 0.219, 0.822 ] } }, { "index": 19, "index_chain": 4, "chain_name": "B", "nt_resnum": 219, "nt_name": "DT", "nt_code": "T", "nt_id": "///B/219", "linked_nts": [ "///B/218", "///B/220" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -94.588, "beta": -165.031, "gamma": 74.884, "delta": 149.101, "epsilon": -166.598, "zeta": -99.767, "epsilon_zeta": -66.831, "bb_type": "BI", "chi": -117.563, "glyco_bond": "anti", "C5prime_xyz": [ -1.973, 8.275, -1.389 ], "P_xyz": [ 0.257, 9.208, -1.037 ], "form": "B", "ssZp": 1.968, "Dp": 2.004, "splay_angle": 19.094, "splay_distance": 3.340, "splay_ratio": 0.171, "d22": 3.752, "d64": 3.400, "eta": 169.148, "theta": -119.155, "eta_prime": -154.228, "theta_prime": -139.767, "eta_base": -134.694, "theta_base": -96.402, "v0": -22.822, "v1": 36.422, "v2": -34.886, "v3": 23.032, "v4": -0.448, "amplitude": 36.771, "phase_angle": 161.577, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "32p", "cluster": "1b", "suiteness": 0.053, "filter_rmsd": 0.096, "frame": { "rmsd": 0.015, "origin": [ 11.550, 28.478, 3.473 ], "x_axis": [ -0.229, -0.843, -0.486 ], "y_axis": [ 0.093, -0.516, 0.852 ], "z_axis": [ -0.969, 0.149, 0.196 ], "quaternion": [ -0.336, -0.522, 0.359, 0.697 ] } }, { "index": 20, "index_chain": 5, "chain_name": "B", "nt_resnum": 220, "nt_name": "DT", "nt_code": "T", "nt_id": "///B/220", "linked_nts": [ "///B/219", "///B/221" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,BI,canonical,non-pair-contact,helix,stem", "alpha": -69.403, "beta": 165.008, "gamma": 55.119, "delta": 102.245, "epsilon": -175.898, "zeta": -89.860, "epsilon_zeta": -86.038, "bb_type": "BI", "chi": -127.899, "glyco_bond": "anti", "C5prime_xyz": [ -2.978, 8.468, -1.743 ], "P_xyz": [ -0.879, 9.953, -1.933 ], "form": "B", "ssZp": 2.254, "Dp": 2.424, "splay_angle": 19.114, "splay_distance": 3.209, "splay_ratio": 0.166, "d22": null, "d64": null, "eta": 162.312, "theta": -159.403, "eta_prime": -173.576, "theta_prime": -161.516, "eta_base": -120.444, "theta_base": -106.929, "v0": -46.183, "v1": 30.879, "v2": -5.787, "v3": -20.180, "v4": 41.349, "amplitude": 45.401, "phase_angle": 97.323, "puckering": "O4'-endo", "sugar_class": "--", "bin": "23p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.090, "frame": { "rmsd": 0.031, "origin": [ 8.271, 27.872, 3.291 ], "x_axis": [ 0.002, -0.995, 0.096 ], "y_axis": [ 0.140, 0.095, 0.986 ], "z_axis": [ -0.990, 0.012, 0.140 ], "quaternion": [ 0.556, 0.438, -0.488, -0.511 ] } }, { "index": 21, "index_chain": 6, "chain_name": "B", "nt_resnum": 221, "nt_name": "DA", "nt_code": "A", "nt_id": "///B/221", "linked_nts": [ "///B/220", "///B/222" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -59.957, "beta": 174.984, "gamma": 53.597, "delta": 132.096, "epsilon": -167.159, "zeta": -106.122, "epsilon_zeta": -61.037, "bb_type": "BI", "chi": -99.100, "glyco_bond": "anti", "C5prime_xyz": [ -2.645, 7.970, -2.321 ], "P_xyz": [ -0.395, 9.026, -3.017 ], "form": "B", "ssZp": 2.165, "Dp": 2.407, "splay_angle": 21.683, "splay_distance": 3.843, "splay_ratio": 0.190, "d22": null, "d64": null, "eta": 173.822, "theta": -141.649, "eta_prime": -160.701, "theta_prime": -158.657, "eta_base": -104.312, "theta_base": -115.716, "v0": -28.273, "v1": 35.030, "v2": -28.275, "v3": 12.808, "v4": 9.509, "amplitude": 34.345, "phase_angle": 145.412, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "32p", "cluster": "1b", "suiteness": 0.083, "filter_rmsd": 0.047, "frame": { "rmsd": 0.018, "origin": [ 5.428, 27.014, 4.505 ], "x_axis": [ -0.077, -0.702, 0.708 ], "y_axis": [ -0.143, 0.710, 0.689 ], "z_axis": [ -0.987, -0.048, -0.155 ], "quaternion": [ 0.608, 0.303, -0.697, -0.230 ] } }, { "index": 22, "index_chain": 7, "chain_name": "B", "nt_resnum": 222, "nt_name": "DT", "nt_code": "T", "nt_id": "///B/222", "linked_nts": [ "///B/221", "///B/223" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,BI,canonical,non-pair-contact,helix,stem", "alpha": -47.640, "beta": 155.866, "gamma": 60.240, "delta": 108.054, "epsilon": -162.972, "zeta": -110.608, "epsilon_zeta": -52.363, "bb_type": "BI", "chi": -135.821, "glyco_bond": "anti", "C5prime_xyz": [ -2.690, 8.758, -1.466 ], "P_xyz": [ -0.591, 10.211, -1.829 ], "form": "B", "ssZp": 2.198, "Dp": 2.382, "splay_angle": 20.367, "splay_distance": 3.463, "splay_ratio": 0.177, "d22": 4.968, "d64": 4.445, "eta": -171.464, "theta": -171.710, "eta_prime": -155.236, "theta_prime": -173.674, "eta_base": -108.673, "theta_base": -135.794, "v0": -45.241, "v1": 35.093, "v2": -13.046, "v3": -13.048, "v4": 37.317, "amplitude": 44.425, "phase_angle": 107.077, "puckering": "O4'-endo", "sugar_class": "--", "bin": "23p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.088, "frame": { "rmsd": 0.030, "origin": [ 1.821, 25.896, 5.219 ], "x_axis": [ -0.044, -0.172, 0.984 ], "y_axis": [ -0.116, 0.979, 0.166 ], "z_axis": [ -0.992, -0.107, -0.063 ], "quaternion": [ 0.684, 0.100, -0.722, -0.020 ] } }, { "index": 23, "index_chain": 8, "chain_name": "B", "nt_resnum": 223, "nt_name": "DT", "nt_code": "T", "nt_id": "///B/223", "linked_nts": [ "///B/222", "///B/224" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -64.907, "beta": 165.007, "gamma": 61.747, "delta": 116.567, "epsilon": -179.795, "zeta": -69.475, "epsilon_zeta": -110.319, "bb_type": "BI", "chi": -130.326, "glyco_bond": "anti", "C5prime_xyz": [ -2.293, 8.538, -1.552 ], "P_xyz": [ 0.036, 9.620, -1.636 ], "form": ".", "ssZp": 2.099, "Dp": 2.306, "splay_angle": 22.822, "splay_distance": 4.024, "splay_ratio": 0.202, "d22": 3.955, "d64": 3.901, "eta": 176.525, "theta": -129.979, "eta_prime": -161.877, "theta_prime": -145.190, "eta_base": -122.418, "theta_base": -101.088, "v0": -45.271, "v1": 36.938, "v2": -16.951, "v3": -8.205, "v4": 33.443, "amplitude": 43.668, "phase_angle": 112.841, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.100, "frame": { "rmsd": 0.017, "origin": [ -1.470, 25.164, 4.427 ], "x_axis": [ -0.280, 0.366, 0.888 ], "y_axis": [ -0.114, 0.906, -0.409 ], "z_axis": [ -0.953, -0.215, -0.212 ], "quaternion": [ 0.595, -0.081, -0.774, 0.202 ] } }, { "index": 24, "index_chain": 9, "chain_name": "B", "nt_resnum": 224, "nt_name": "DT", "nt_code": "T", "nt_id": "///B/224", "linked_nts": [ "///B/223", "///B/225" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,BI,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -93.055, "beta": 179.769, "gamma": 68.246, "delta": 98.114, "epsilon": 162.021, "zeta": -82.045, "epsilon_zeta": -115.934, "bb_type": "BI", "chi": -138.391, "glyco_bond": "anti", "C5prime_xyz": [ -2.997, 8.666, -1.167 ], "P_xyz": [ -1.071, 10.195, -1.597 ], "form": "B", "ssZp": 3.123, "Dp": 2.982, "splay_angle": 18.357, "splay_distance": 2.939, "splay_ratio": 0.160, "d22": null, "d64": null, "eta": 161.170, "theta": -178.609, "eta_prime": -173.129, "theta_prime": -175.966, "eta_base": -118.533, "theta_base": -138.928, "v0": -47.592, "v1": 29.711, "v2": -1.369, "v3": -26.604, "v4": 47.273, "amplitude": 49.140, "phase_angle": 91.596, "puckering": "O4'-endo", "sugar_class": "--", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.102, "frame": { "rmsd": 0.017, "origin": [ -5.452, 25.037, 4.998 ], "x_axis": [ -0.271, 0.839, 0.471 ], "y_axis": [ 0.079, 0.507, -0.858 ], "z_axis": [ -0.959, -0.196, -0.204 ], "quaternion": [ 0.508, -0.326, -0.704, 0.374 ] } }, { "index": 25, "index_chain": 10, "chain_name": "B", "nt_resnum": 225, "nt_name": "DG", "nt_code": "G", "nt_id": "///B/225", "linked_nts": [ "///B/224", "///B/226" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,canonical,non-pair-contact,helix,stem,phosphate", "alpha": -77.864, "beta": -164.800, "gamma": 68.265, "delta": 162.281, "epsilon": -136.679, "zeta": -144.877, "epsilon_zeta": 8.198, "bb_type": "--", "chi": -106.916, "glyco_bond": "anti", "C5prime_xyz": [ -1.606, 8.141, -1.779 ], "P_xyz": [ 0.693, 8.883, -1.357 ], "form": "B", "ssZp": 1.071, "Dp": 1.248, "splay_angle": 22.537, "splay_distance": 3.782, "splay_ratio": 0.196, "d22": null, "d64": null, "eta": -174.719, "theta": -145.076, "eta_prime": -150.359, "theta_prime": -167.266, "eta_base": -118.001, "theta_base": -128.931, "v0": -21.335, "v1": 41.381, "v2": -45.668, "v3": 33.959, "v4": -8.024, "amplitude": 46.162, "phase_angle": 171.609, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "32p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.028, "frame": { "rmsd": 0.028, "origin": [ -8.255, 24.226, 4.648 ], "x_axis": [ -0.126, 0.985, -0.121 ], "y_axis": [ 0.050, -0.116, -0.992 ], "z_axis": [ -0.991, -0.131, -0.035 ], "quaternion": [ 0.425, -0.506, -0.511, 0.549 ] } }, { "index": 26, "index_chain": 11, "chain_name": "B", "nt_resnum": 226, "nt_name": "DC", "nt_code": "C", "nt_id": "///B/226", "linked_nts": [ "///B/225", "///B/227" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,BI,canonical,non-pair-contact,helix,stem", "alpha": -77.744, "beta": 139.451, "gamma": 73.363, "delta": 110.315, "epsilon": -170.825, "zeta": -69.855, "epsilon_zeta": -100.971, "bb_type": "BI", "chi": -139.657, "glyco_bond": "anti", "C5prime_xyz": [ -2.357, 8.871, -1.081 ], "P_xyz": [ 0.138, 9.404, -1.768 ], "form": "B", "ssZp": 2.733, "Dp": 2.784, "splay_angle": 21.106, "splay_distance": 3.566, "splay_ratio": 0.183, "d22": null, "d64": null, "eta": 166.960, "theta": -127.583, "eta_prime": -175.347, "theta_prime": -138.628, "eta_base": -132.255, "theta_base": -93.281, "v0": -41.099, "v1": 30.460, "v2": -9.167, "v3": -14.531, "v4": 35.273, "amplitude": 40.485, "phase_angle": 103.087, "puckering": "O4'-endo", "sugar_class": "--", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.069, "frame": { "rmsd": 0.019, "origin": [ -11.636, 22.549, 4.896 ], "x_axis": [ -0.313, 0.718, -0.621 ], "y_axis": [ 0.193, -0.593, -0.782 ], "z_axis": [ -0.930, -0.364, 0.047 ], "quaternion": [ 0.188, -0.555, -0.410, 0.699 ] } }, { "index": 27, "index_chain": 12, "chain_name": "B", "nt_resnum": 227, "nt_name": "DA", "nt_code": "A", "nt_id": "///B/227", "linked_nts": [ "///B/226", "///B/228" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": -78.733, "beta": 179.710, "gamma": 52.899, "delta": 129.188, "epsilon": -175.043, "zeta": -97.061, "epsilon_zeta": -77.982, "bb_type": "BI", "chi": -107.298, "glyco_bond": "anti", "C5prime_xyz": [ -2.570, 8.042, -2.230 ], "P_xyz": [ -0.531, 9.465, -2.282 ], "form": "B", "ssZp": 1.749, "Dp": 2.009, "splay_angle": 19.030, "splay_distance": 3.315, "splay_ratio": 0.169, "d22": null, "d64": null, "eta": 159.603, "theta": -146.949, "eta_prime": -164.163, "theta_prime": -156.854, "eta_base": -110.317, "theta_base": -120.009, "v0": -45.971, "v1": 46.052, "v2": -30.403, "v3": 4.925, "v4": 25.622, "amplitude": 47.600, "phase_angle": 129.696, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.050, "frame": { "rmsd": 0.029, "origin": [ -14.807, 22.156, 3.313 ], "x_axis": [ 0.139, 0.236, -0.962 ], "y_axis": [ 0.169, -0.963, -0.212 ], "z_axis": [ -0.976, -0.133, -0.173 ], "quaternion": [ -0.026, 0.754, 0.134, -0.642 ] } }, { "index": 28, "index_chain": 13, "chain_name": "B", "nt_resnum": 228, "nt_name": "DT", "nt_code": "T", "nt_id": "///B/228", "linked_nts": [ "///B/227", "///B/229" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,canonical,non-pair-contact,helix,stem", "alpha": -62.331, "beta": -175.116, "gamma": 43.163, "delta": 156.180, "epsilon": -123.149, "zeta": 122.720, "epsilon_zeta": 114.131, "bb_type": "--", "chi": -96.818, "glyco_bond": "anti", "C5prime_xyz": [ -3.184, 7.988, -1.992 ], "P_xyz": [ -1.436, 9.796, -2.287 ], "form": "B", "ssZp": 1.966, "Dp": 1.887, "splay_angle": 23.399, "splay_distance": 3.753, "splay_ratio": 0.209, "d22": null, "d64": null, "eta": 177.140, "theta": -178.831, "eta_prime": -159.875, "theta_prime": -174.455, "eta_base": -121.941, "theta_base": -124.638, "v0": -36.984, "v1": 52.785, "v2": -45.954, "v3": 26.461, "v4": 6.338, "amplitude": 51.224, "phase_angle": 153.783, "puckering": "C2'-endo", "sugar_class": "~C2'-endo", "bin": "22p", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.104, "frame": { "rmsd": 0.009, "origin": [ -17.890, 22.229, 2.097 ], "x_axis": [ 0.230, -0.239, -0.943 ], "y_axis": [ 0.007, -0.969, 0.247 ], "z_axis": [ -0.973, -0.063, -0.221 ], "quaternion": [ 0.100, 0.778, -0.075, -0.616 ] } }, { "index": 29, "index_chain": 14, "chain_name": "B", "nt_resnum": 229, "nt_name": "DA", "nt_code": "A", "nt_id": "///B/229", "linked_nts": [ "///B/228", "///B/230" ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,BI,canonical,non-pair-contact,helix,stem", "alpha": 116.774, "beta": -69.816, "gamma": 134.754, "delta": 129.591, "epsilon": -152.696, "zeta": -84.589, "epsilon_zeta": -68.106, "bb_type": "BI", "chi": -125.250, "glyco_bond": "anti", "C5prime_xyz": [ -3.061, 8.581, -1.318 ], "P_xyz": [ -0.498, 8.374, -1.489 ], "form": "B", "ssZp": 2.325, "Dp": 2.512, "splay_angle": 21.070, "splay_distance": 3.584, "splay_ratio": 0.186, "d22": null, "d64": null, "eta": 160.562, "theta": -112.122, "eta_prime": -167.205, "theta_prime": -159.140, "eta_base": -118.074, "theta_base": -120.190, "v0": -45.653, "v1": 50.181, "v2": -35.463, "v3": 10.813, "v4": 21.155, "amplitude": 49.475, "phase_angle": 135.789, "puckering": "C1'-exo", "sugar_class": "~C2'-endo", "bin": "trig", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.039, "frame": { "rmsd": 0.013, "origin": [ -21.507, 21.261, 1.840 ], "x_axis": [ 0.166, -0.776, -0.608 ], "y_axis": [ -0.113, -0.627, 0.771 ], "z_axis": [ -0.980, -0.060, -0.192 ], "quaternion": [ 0.295, 0.705, -0.316, -0.563 ] } }, { "index": 30, "index_chain": 15, "chain_name": "B", "nt_resnum": 230, "nt_name": "DC", "nt_code": "C", "nt_id": "///B/230", "linked_nts": [ "///B/229", null ], "nt_type": "DNA", "dbn": ")", "summary": "anti,~C2'-endo,canonical,non-pair-contact,helix-end,stem-end", "alpha": -114.338, "beta": 75.035, "gamma": 161.942, "delta": 169.257, "epsilon": null, "zeta": null, "epsilon_zeta": null, "bb_type": "--", "chi": -138.527, "glyco_bond": "anti", "C5prime_xyz": [ -1.685, 8.555, 0.305 ], "P_xyz": [ -0.436, 9.826, -1.623 ], "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": -14.642, "v1": 41.088, "v2": -51.349, "v3": 44.031, "v4": -18.596, "amplitude": 51.398, "phase_angle": 182.499, "puckering": "C3'-exo", "sugar_class": "~C2'-endo", "bin": "22t", "cluster": "!!", "suiteness": 0.000, "filter_rmsd": 0.061, "frame": { "rmsd": 0.011, "origin": [ -24.725, 20.925, 0.299 ], "x_axis": [ 0.064, -0.998, -0.002 ], "y_axis": [ -0.239, -0.017, 0.971 ], "z_axis": [ -0.969, -0.062, -0.240 ], "quaternion": [ 0.449, 0.575, -0.538, -0.422 ] } } ], "num_hbonds": 206, "hbonds": [ { "index": 1, "atom1_serNum": 34, "atom2_serNum": 608, "donAcc_type": "standard", "distance": 3.304, "atom1_id": "///A/202/O6", "atom2_id": "///B/230/N4", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 2, "atom1_serNum": 35, "atom2_serNum": 606, "donAcc_type": "standard", "distance": 3.116, "atom1_id": "///A/202/N1", "atom2_id": "///B/230/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 3, "atom1_serNum": 37, "atom2_serNum": 605, "donAcc_type": "standard", "distance": 2.982, "atom1_id": "///A/202/N2", "atom2_id": "///B/230/O2", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 4, "atom1_serNum": 41, "atom2_serNum": 754, "donAcc_type": "standard", "distance": 2.736, "atom1_id": "///A/203/OP1", "atom2_id": "///C/20/NH2", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 5, "atom1_serNum": 42, "atom2_serNum": 754, "donAcc_type": "standard", "distance": 3.016, "atom1_id": "///A/203/OP2", "atom2_id": "///C/20/NH2", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 6, "atom1_serNum": 42, "atom2_serNum": 798, "donAcc_type": "standard", "distance": 3.194, "atom1_id": "///A/203/OP2", "atom2_id": "///C/27/N", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 7, "atom1_serNum": 54, "atom2_serNum": 588, "donAcc_type": "standard", "distance": 3.212, "atom1_id": "///A/203/N3", "atom2_id": "///B/229/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 8, "atom1_serNum": 56, "atom2_serNum": 587, "donAcc_type": "standard", "distance": 3.183, "atom1_id": "///A/203/O4", "atom2_id": "///B/229/N6", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 9, "atom1_serNum": 62, "atom2_serNum": 806, "donAcc_type": "standard", "distance": 2.786, "atom1_id": "///A/204/OP2", "atom2_id": "///C/27/NE2", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 10, "atom1_serNum": 62, "atom2_serNum": 953, "donAcc_type": "acceptable", "distance": 2.598, "atom1_id": "///A/204/OP2", "atom2_id": "///C/48/OG", "atom_pair": "O:O", "residue_pair": "nt:aa" }, { "index": 11, "atom1_serNum": 73, "atom2_serNum": 925, "donAcc_type": "standard", "distance": 3.157, "atom1_id": "///A/204/N7", "atom2_id": "///C/44/NE2", "atom_pair": "N:N", "residue_pair": "nt:aa" }, { "index": 12, "atom1_serNum": 76, "atom2_serNum": 567, "donAcc_type": "standard", "distance": 2.945, "atom1_id": "///A/204/N6", "atom2_id": "///B/228/O4", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 13, "atom1_serNum": 76, "atom2_serNum": 924, "donAcc_type": "standard", "distance": 3.372, "atom1_id": "///A/204/N6", "atom2_id": "///C/44/OE1", "atom_pair": "N:O", "residue_pair": "nt:aa" }, { "index": 14, "atom1_serNum": 77, "atom2_serNum": 565, "donAcc_type": "standard", "distance": 2.780, "atom1_id": "///A/204/N1", "atom2_id": "///B/228/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 15, "atom1_serNum": 95, "atom2_serNum": 547, "donAcc_type": "standard", "distance": 2.788, "atom1_id": "///A/205/N3", "atom2_id": "///B/227/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 16, "atom1_serNum": 97, "atom2_serNum": 546, "donAcc_type": "standard", "distance": 2.771, "atom1_id": "///A/205/O4", "atom2_id": "///B/227/N6", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 17, "atom1_serNum": 97, "atom2_serNum": 931, "donAcc_type": "acceptable", "distance": 2.931, "atom1_id": "///A/205/O4", "atom2_id": "///C/45/OG1", "atom_pair": "O:O", "residue_pair": "nt:aa" }, { "index": 18, "atom1_serNum": 114, "atom2_serNum": 964, "donAcc_type": "standard", "distance": 3.436, "atom1_id": "///A/206/N7", "atom2_id": "///C/49/NH2", "atom_pair": "N:N", "residue_pair": "nt:aa" }, { "index": 19, "atom1_serNum": 117, "atom2_serNum": 527, "donAcc_type": "standard", "distance": 2.770, "atom1_id": "///A/206/O6", "atom2_id": "///B/226/N4", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 20, "atom1_serNum": 118, "atom2_serNum": 525, "donAcc_type": "standard", "distance": 2.807, "atom1_id": "///A/206/N1", "atom2_id": "///B/226/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 21, "atom1_serNum": 120, "atom2_serNum": 524, "donAcc_type": "standard", "distance": 2.991, "atom1_id": "///A/206/N2", "atom2_id": "///B/226/O2", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 22, "atom1_serNum": 136, "atom2_serNum": 508, "donAcc_type": "standard", "distance": 2.849, "atom1_id": "///A/207/O2", "atom2_id": "///B/225/N2", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 23, "atom1_serNum": 137, "atom2_serNum": 506, "donAcc_type": "standard", "distance": 2.981, "atom1_id": "///A/207/N3", "atom2_id": "///B/225/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 24, "atom1_serNum": 139, "atom2_serNum": 505, "donAcc_type": "standard", "distance": 3.116, "atom1_id": "///A/207/N4", "atom2_id": "///B/225/O6", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 25, "atom1_serNum": 143, "atom2_serNum": 1276, "donAcc_type": "standard", "distance": 2.691, "atom1_id": "///A/208/OP1", "atom2_id": "///C/113/NH2", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 26, "atom1_serNum": 148, "atom2_serNum": 1212, "donAcc_type": "standard", "distance": 3.395, "atom1_id": "///A/208/O4'", "atom2_id": "///C/105/NH2", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 27, "atom1_serNum": 158, "atom2_serNum": 485, "donAcc_type": "standard", "distance": 3.227, "atom1_id": "///A/208/N6", "atom2_id": "///B/224/O4", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 28, "atom1_serNum": 159, "atom2_serNum": 483, "donAcc_type": "standard", "distance": 2.819, "atom1_id": "///A/208/N1", "atom2_id": "///B/224/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 29, "atom1_serNum": 161, "atom2_serNum": 1211, "donAcc_type": "standard", "distance": 3.229, "atom1_id": "///A/208/N3", "atom2_id": "///C/105/NH1", "atom_pair": "N:N", "residue_pair": "nt:aa" }, { "index": 30, "atom1_serNum": 179, "atom2_serNum": 465, "donAcc_type": "standard", "distance": 3.301, "atom1_id": "///A/209/N6", "atom2_id": "///B/223/O4", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 31, "atom1_serNum": 180, "atom2_serNum": 463, "donAcc_type": "standard", "distance": 2.785, "atom1_id": "///A/209/N1", "atom2_id": "///B/223/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 32, "atom1_serNum": 185, "atom2_serNum": 1213, "donAcc_type": "standard", "distance": 2.957, "atom1_id": "///A/210/OP1", "atom2_id": "///C/106/N", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 33, "atom1_serNum": 185, "atom2_serNum": 1218, "donAcc_type": "acceptable", "distance": 2.367, "atom1_id": "///A/210/OP1", "atom2_id": "///C/106/OG1", "atom_pair": "O:O", "residue_pair": "nt:aa" }, { "index": 34, "atom1_serNum": 197, "atom2_serNum": 1584, "donAcc_type": "standard", "distance": 3.469, "atom1_id": "///A/210/N7", "atom2_id": "///C/151/ND2", "atom_pair": "N:N", "residue_pair": "nt:aa" }, { "index": 35, "atom1_serNum": 200, "atom2_serNum": 445, "donAcc_type": "standard", "distance": 3.253, "atom1_id": "///A/210/N6", "atom2_id": "///B/222/O4", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 36, "atom1_serNum": 200, "atom2_serNum": 1583, "donAcc_type": "standard", "distance": 3.541, "atom1_id": "///A/210/N6", "atom2_id": "///C/151/OD1", "atom_pair": "N:O", "residue_pair": "nt:aa" }, { "index": 37, "atom1_serNum": 201, "atom2_serNum": 443, "donAcc_type": "standard", "distance": 2.936, "atom1_id": "///A/210/N1", "atom2_id": "///B/222/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 38, "atom1_serNum": 203, "atom2_serNum": 1187, "donAcc_type": "standard", "distance": 3.849, "atom1_id": "///A/210/N3", "atom2_id": "///C/102/NH2", "atom_pair": "N:N", "residue_pair": "nt:aa" }, { "index": 39, "atom1_serNum": 206, "atom2_serNum": 1188, "donAcc_type": "standard", "distance": 3.099, "atom1_id": "///A/211/OP1", "atom2_id": "///C/103/N", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 40, "atom1_serNum": 219, "atom2_serNum": 425, "donAcc_type": "standard", "distance": 2.864, "atom1_id": "///A/211/N3", "atom2_id": "///B/221/N1", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 41, "atom1_serNum": 221, "atom2_serNum": 424, "donAcc_type": "standard", "distance": 3.270, "atom1_id": "///A/211/O4", "atom2_id": "///B/221/N6", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 42, "atom1_serNum": 241, "atom2_serNum": 404, "donAcc_type": "standard", "distance": 3.048, "atom1_id": "///A/212/N6", "atom2_id": "///B/220/O4", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 43, "atom1_serNum": 242, "atom2_serNum": 402, "donAcc_type": "standard", "distance": 2.747, "atom1_id": "///A/212/N1", "atom2_id": "///B/220/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 44, "atom1_serNum": 262, "atom2_serNum": 384, "donAcc_type": "standard", "distance": 2.908, "atom1_id": "///A/213/N6", "atom2_id": "///B/219/O4", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 45, "atom1_serNum": 263, "atom2_serNum": 382, "donAcc_type": "standard", "distance": 2.993, "atom1_id": "///A/213/N1", "atom2_id": "///B/219/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 46, "atom1_serNum": 283, "atom2_serNum": 365, "donAcc_type": "standard", "distance": 3.141, "atom1_id": "///A/214/O6", "atom2_id": "///B/218/N4", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 47, "atom1_serNum": 284, "atom2_serNum": 363, "donAcc_type": "standard", "distance": 2.883, "atom1_id": "///A/214/N1", "atom2_id": "///B/218/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 48, "atom1_serNum": 286, "atom2_serNum": 362, "donAcc_type": "standard", "distance": 2.618, "atom1_id": "///A/214/N2", "atom2_id": "///B/218/O2", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 49, "atom1_serNum": 305, "atom2_serNum": 346, "donAcc_type": "standard", "distance": 2.630, "atom1_id": "///A/215/O6", "atom2_id": "///B/217/N4", "atom_pair": "O:N", "residue_pair": "nt:nt" }, { "index": 50, "atom1_serNum": 306, "atom2_serNum": 344, "donAcc_type": "standard", "distance": 2.757, "atom1_id": "///A/215/N1", "atom2_id": "///B/217/N3", "atom_pair": "N:N", "residue_pair": "nt:nt" }, { "index": 51, "atom1_serNum": 308, "atom2_serNum": 343, "donAcc_type": "standard", "distance": 2.777, "atom1_id": "///A/215/N2", "atom2_id": "///B/217/O2", "atom_pair": "N:O", "residue_pair": "nt:nt" }, { "index": 52, "atom1_serNum": 331, "atom2_serNum": 1503, "donAcc_type": "standard", "distance": 3.639, "atom1_id": "///B/217/OP1", "atom2_id": "///C/142/NZ", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 53, "atom1_serNum": 333, "atom2_serNum": 1390, "donAcc_type": "acceptable", "distance": 3.413, "atom1_id": "///B/217/O5'", "atom2_id": "///C/128/OG", "atom_pair": "O:O", "residue_pair": "nt:aa" }, { "index": 54, "atom1_serNum": 351, "atom2_serNum": 1535, "donAcc_type": "standard", "distance": 2.900, "atom1_id": "///B/218/OP2", "atom2_id": "///C/146/NE", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 55, "atom1_serNum": 357, "atom2_serNum": 1370, "donAcc_type": "standard", "distance": 3.445, "atom1_id": "///B/218/O3'", "atom2_id": "///C/125/NZ", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 56, "atom1_serNum": 357, "atom2_serNum": 1606, "donAcc_type": "standard", "distance": 3.136, "atom1_id": "///B/218/O3'", "atom2_id": "///C/153/NH2", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 57, "atom1_serNum": 369, "atom2_serNum": 1370, "donAcc_type": "standard", "distance": 3.211, "atom1_id": "///B/219/OP1", "atom2_id": "///C/125/NZ", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 58, "atom1_serNum": 370, "atom2_serNum": 1603, "donAcc_type": "standard", "distance": 3.037, "atom1_id": "///B/219/OP2", "atom2_id": "///C/153/NE", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 59, "atom1_serNum": 370, "atom2_serNum": 1606, "donAcc_type": "standard", "distance": 2.578, "atom1_id": "///B/219/OP2", "atom2_id": "///C/153/NH2", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 60, "atom1_serNum": 451, "atom2_serNum": 1019, "donAcc_type": "acceptable", "distance": 2.609, "atom1_id": "///B/223/OP2", "atom2_id": "///C/56/OG", "atom_pair": "O:O", "residue_pair": "nt:aa" }, { "index": 61, "atom1_serNum": 462, "atom2_serNum": 1187, "donAcc_type": "standard", "distance": 3.692, "atom1_id": "///B/223/O2", "atom2_id": "///C/102/NH2", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 62, "atom1_serNum": 470, "atom2_serNum": 1066, "donAcc_type": "standard", "distance": 2.415, "atom1_id": "///B/224/OP1", "atom2_id": "///C/62/NZ", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 63, "atom1_serNum": 471, "atom2_serNum": 1043, "donAcc_type": "standard", "distance": 2.834, "atom1_id": "///B/224/OP2", "atom2_id": "///C/59/ND2", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 64, "atom1_serNum": 491, "atom2_serNum": 911, "donAcc_type": "standard", "distance": 3.120, "atom1_id": "///B/225/OP2", "atom2_id": "///C/43/N", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 65, "atom1_serNum": 491, "atom2_serNum": 916, "donAcc_type": "acceptable", "distance": 2.736, "atom1_id": "///B/225/OP2", "atom2_id": "///C/43/OG", "atom_pair": "O:O", "residue_pair": "nt:aa" }, { "index": 66, "atom1_serNum": 491, "atom2_serNum": 938, "donAcc_type": "acceptable", "distance": 2.455, "atom1_id": "///B/225/OP2", "atom2_id": "///C/46/OG1", "atom_pair": "O:O", "residue_pair": "nt:aa" }, { "index": 67, "atom1_serNum": 505, "atom2_serNum": 963, "donAcc_type": "standard", "distance": 2.841, "atom1_id": "///B/225/O6", "atom2_id": "///C/49/NH1", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 68, "atom1_serNum": 505, "atom2_serNum": 964, "donAcc_type": "standard", "distance": 3.205, "atom1_id": "///B/225/O6", "atom2_id": "///C/49/NH2", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 69, "atom1_serNum": 512, "atom2_serNum": 1202, "donAcc_type": "standard", "distance": 3.817, "atom1_id": "///B/226/OP1", "atom2_id": "///C/105/N", "atom_pair": "O:N", "residue_pair": "nt:aa" }, { "index": 70, "atom1_serNum": 527, "atom2_serNum": 931, "donAcc_type": "acceptable", "distance": 3.219, "atom1_id": "///B/226/N4", "atom2_id": "///C/45/OG1", "atom_pair": "N:O", "residue_pair": "nt:aa" }, { "index": 71, "atom1_serNum": 612, "atom2_serNum": 618, "donAcc_type": "standard", "distance": 3.183, "atom1_id": "///C/5/N", "atom2_id": "///C/5/OD1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 72, "atom1_serNum": 612, "atom2_serNum": 644, "donAcc_type": "standard", "distance": 2.816, "atom1_id": "///C/5/N", "atom2_id": "///C/8/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 73, "atom1_serNum": 615, "atom2_serNum": 646, "donAcc_type": "standard", "distance": 3.418, "atom1_id": "///C/5/O", "atom2_id": "///C/9/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 74, "atom1_serNum": 623, "atom2_serNum": 646, "donAcc_type": "standard", "distance": 2.993, "atom1_id": "///C/6/O", "atom2_id": "///C/9/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 75, "atom1_serNum": 623, "atom2_serNum": 654, "donAcc_type": "standard", "distance": 3.099, "atom1_id": "///C/6/O", "atom2_id": "///C/10/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 76, "atom1_serNum": 631, "atom2_serNum": 654, "donAcc_type": "standard", "distance": 2.605, "atom1_id": "///C/7/O", "atom2_id": "///C/10/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 77, "atom1_serNum": 631, "atom2_serNum": 663, "donAcc_type": "standard", "distance": 2.806, "atom1_id": "///C/7/O", "atom2_id": "///C/11/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 78, "atom1_serNum": 640, "atom2_serNum": 672, "donAcc_type": "standard", "distance": 3.071, "atom1_id": "///C/8/O", "atom2_id": "///C/12/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 79, "atom1_serNum": 645, "atom2_serNum": 1083, "donAcc_type": "standard", "distance": 3.038, "atom1_id": "///C/8/OE2", "atom2_id": "///C/64/NZ", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 80, "atom1_serNum": 649, "atom2_serNum": 683, "donAcc_type": "standard", "distance": 2.976, "atom1_id": "///C/9/O", "atom2_id": "///C/13/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 81, "atom1_serNum": 657, "atom2_serNum": 688, "donAcc_type": "standard", "distance": 3.605, "atom1_id": "///C/10/O", "atom2_id": "///C/14/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 82, "atom1_serNum": 666, "atom2_serNum": 688, "donAcc_type": "standard", "distance": 2.662, "atom1_id": "///C/11/O", "atom2_id": "///C/14/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 83, "atom1_serNum": 666, "atom2_serNum": 697, "donAcc_type": "standard", "distance": 2.974, "atom1_id": "///C/11/O", "atom2_id": "///C/15/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 84, "atom1_serNum": 675, "atom2_serNum": 702, "donAcc_type": "acceptable", "distance": 3.412, "atom1_id": "///C/12/O", "atom2_id": "///C/15/OG1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 85, "atom1_serNum": 675, "atom2_serNum": 704, "donAcc_type": "standard", "distance": 2.916, "atom1_id": "///C/12/O", "atom2_id": "///C/16/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 86, "atom1_serNum": 686, "atom2_serNum": 715, "donAcc_type": "standard", "distance": 3.006, "atom1_id": "///C/13/O", "atom2_id": "///C/17/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 87, "atom1_serNum": 691, "atom2_serNum": 715, "donAcc_type": "standard", "distance": 2.716, "atom1_id": "///C/14/O", "atom2_id": "///C/17/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 88, "atom1_serNum": 691, "atom2_serNum": 724, "donAcc_type": "standard", "distance": 3.103, "atom1_id": "///C/14/O", "atom2_id": "///C/18/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 89, "atom1_serNum": 700, "atom2_serNum": 733, "donAcc_type": "standard", "distance": 2.929, "atom1_id": "///C/15/O", "atom2_id": "///C/19/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 90, "atom1_serNum": 707, "atom2_serNum": 744, "donAcc_type": "standard", "distance": 2.927, "atom1_id": "///C/16/O", "atom2_id": "///C/20/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 91, "atom1_serNum": 718, "atom2_serNum": 755, "donAcc_type": "standard", "distance": 3.196, "atom1_id": "///C/17/O", "atom2_id": "///C/21/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 92, "atom1_serNum": 727, "atom2_serNum": 763, "donAcc_type": "standard", "distance": 2.886, "atom1_id": "///C/18/O", "atom2_id": "///C/22/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 93, "atom1_serNum": 736, "atom2_serNum": 768, "donAcc_type": "standard", "distance": 2.884, "atom1_id": "///C/19/O", "atom2_id": "///C/23/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 94, "atom1_serNum": 742, "atom2_serNum": 1154, "donAcc_type": "questionable", "distance": 3.199, "atom1_id": "///C/19/NH1", "atom2_id": "///C/72/ND2", "atom_pair": "N:N", "residue_pair": "aa:aa" }, { "index": 95, "atom1_serNum": 742, "atom2_serNum": 1176, "donAcc_type": "standard", "distance": 2.898, "atom1_id": "///C/19/NH1", "atom2_id": "///C/75/OE2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 96, "atom1_serNum": 747, "atom2_serNum": 780, "donAcc_type": "standard", "distance": 3.227, "atom1_id": "///C/20/O", "atom2_id": "///C/25/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 97, "atom1_serNum": 753, "atom2_serNum": 984, "donAcc_type": "standard", "distance": 3.148, "atom1_id": "///C/20/NH1", "atom2_id": "///C/51/OE2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 98, "atom1_serNum": 758, "atom2_serNum": 776, "donAcc_type": "standard", "distance": 2.835, "atom1_id": "///C/21/O", "atom2_id": "///C/24/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 99, "atom1_serNum": 766, "atom2_serNum": 776, "donAcc_type": "standard", "distance": 2.633, "atom1_id": "///C/22/O", "atom2_id": "///C/24/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 100, "atom1_serNum": 791, "atom2_serNum": 818, "donAcc_type": "standard", "distance": 2.871, "atom1_id": "///C/26/N", "atom2_id": "///C/29/OD2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 101, "atom1_serNum": 794, "atom2_serNum": 819, "donAcc_type": "standard", "distance": 3.071, "atom1_id": "///C/26/O", "atom2_id": "///C/30/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 102, "atom1_serNum": 796, "atom2_serNum": 807, "donAcc_type": "acceptable", "distance": 3.115, "atom1_id": "///C/26/OG1", "atom2_id": "///C/28/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 103, "atom1_serNum": 796, "atom2_serNum": 811, "donAcc_type": "acceptable", "distance": 2.967, "atom1_id": "///C/26/OG1", "atom2_id": "///C/29/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 104, "atom1_serNum": 801, "atom2_serNum": 826, "donAcc_type": "standard", "distance": 2.873, "atom1_id": "///C/27/O", "atom2_id": "///C/31/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 105, "atom1_serNum": 805, "atom2_serNum": 925, "donAcc_type": "standard", "distance": 3.074, "atom1_id": "///C/27/OE1", "atom2_id": "///C/44/NE2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 106, "atom1_serNum": 806, "atom2_serNum": 983, "donAcc_type": "standard", "distance": 2.763, "atom1_id": "///C/27/NE2", "atom2_id": "///C/51/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 107, "atom1_serNum": 810, "atom2_serNum": 830, "donAcc_type": "standard", "distance": 3.289, "atom1_id": "///C/28/O", "atom2_id": "///C/32/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 108, "atom1_serNum": 814, "atom2_serNum": 830, "donAcc_type": "standard", "distance": 2.795, "atom1_id": "///C/29/O", "atom2_id": "///C/32/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 109, "atom1_serNum": 814, "atom2_serNum": 838, "donAcc_type": "standard", "distance": 2.708, "atom1_id": "///C/29/O", "atom2_id": "///C/33/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 110, "atom1_serNum": 822, "atom2_serNum": 843, "donAcc_type": "standard", "distance": 3.588, "atom1_id": "///C/30/O", "atom2_id": "///C/34/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 111, "atom1_serNum": 829, "atom2_serNum": 843, "donAcc_type": "standard", "distance": 3.179, "atom1_id": "///C/31/O", "atom2_id": "///C/34/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 112, "atom1_serNum": 829, "atom2_serNum": 851, "donAcc_type": "standard", "distance": 3.489, "atom1_id": "///C/31/O", "atom2_id": "///C/35/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 113, "atom1_serNum": 833, "atom2_serNum": 851, "donAcc_type": "standard", "distance": 2.923, "atom1_id": "///C/32/O", "atom2_id": "///C/35/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 114, "atom1_serNum": 833, "atom2_serNum": 855, "donAcc_type": "standard", "distance": 3.299, "atom1_id": "///C/32/O", "atom2_id": "///C/36/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 115, "atom1_serNum": 846, "atom2_serNum": 868, "donAcc_type": "standard", "distance": 2.856, "atom1_id": "///C/34/O", "atom2_id": "///C/38/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 116, "atom1_serNum": 854, "atom2_serNum": 880, "donAcc_type": "standard", "distance": 3.079, "atom1_id": "///C/35/O", "atom2_id": "///C/39/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 117, "atom1_serNum": 891, "atom2_serNum": 895, "donAcc_type": "standard", "distance": 2.918, "atom1_id": "///C/40/ND2", "atom2_id": "///C/41/O", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 118, "atom1_serNum": 914, "atom2_serNum": 940, "donAcc_type": "standard", "distance": 3.434, "atom1_id": "///C/43/O", "atom2_id": "///C/47/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 119, "atom1_serNum": 920, "atom2_serNum": 948, "donAcc_type": "standard", "distance": 2.823, "atom1_id": "///C/44/O", "atom2_id": "///C/48/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 120, "atom1_serNum": 929, "atom2_serNum": 954, "donAcc_type": "standard", "distance": 2.903, "atom1_id": "///C/45/O", "atom2_id": "///C/49/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 121, "atom1_serNum": 936, "atom2_serNum": 965, "donAcc_type": "standard", "distance": 2.903, "atom1_id": "///C/46/O", "atom2_id": "///C/50/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 122, "atom1_serNum": 943, "atom2_serNum": 976, "donAcc_type": "standard", "distance": 2.996, "atom1_id": "///C/47/O", "atom2_id": "///C/51/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 123, "atom1_serNum": 951, "atom2_serNum": 985, "donAcc_type": "standard", "distance": 2.931, "atom1_id": "///C/48/O", "atom2_id": "///C/52/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 124, "atom1_serNum": 957, "atom2_serNum": 990, "donAcc_type": "standard", "distance": 3.086, "atom1_id": "///C/49/O", "atom2_id": "///C/53/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 125, "atom1_serNum": 957, "atom2_serNum": 998, "donAcc_type": "standard", "distance": 2.743, "atom1_id": "///C/49/O", "atom2_id": "///C/54/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 126, "atom1_serNum": 968, "atom2_serNum": 990, "donAcc_type": "standard", "distance": 3.194, "atom1_id": "///C/50/O", "atom2_id": "///C/53/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 127, "atom1_serNum": 1017, "atom2_serNum": 1044, "donAcc_type": "standard", "distance": 2.780, "atom1_id": "///C/56/O", "atom2_id": "///C/60/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 128, "atom1_serNum": 1019, "atom2_serNum": 1036, "donAcc_type": "acceptable", "distance": 3.164, "atom1_id": "///C/56/OG", "atom2_id": "///C/59/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 129, "atom1_serNum": 1023, "atom2_serNum": 1052, "donAcc_type": "standard", "distance": 2.907, "atom1_id": "///C/57/O", "atom2_id": "///C/61/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 130, "atom1_serNum": 1034, "atom2_serNum": 1058, "donAcc_type": "standard", "distance": 2.788, "atom1_id": "///C/58/O", "atom2_id": "///C/62/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 131, "atom1_serNum": 1039, "atom2_serNum": 1043, "donAcc_type": "standard", "distance": 2.906, "atom1_id": "///C/59/O", "atom2_id": "///C/59/ND2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 132, "atom1_serNum": 1039, "atom2_serNum": 1067, "donAcc_type": "standard", "distance": 2.969, "atom1_id": "///C/59/O", "atom2_id": "///C/63/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 133, "atom1_serNum": 1047, "atom2_serNum": 1075, "donAcc_type": "standard", "distance": 3.105, "atom1_id": "///C/60/O", "atom2_id": "///C/64/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 134, "atom1_serNum": 1070, "atom2_serNum": 1099, "donAcc_type": "standard", "distance": 3.125, "atom1_id": "///C/63/O", "atom2_id": "///C/67/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 135, "atom1_serNum": 1078, "atom2_serNum": 1107, "donAcc_type": "standard", "distance": 2.645, "atom1_id": "///C/64/O", "atom2_id": "///C/68/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 136, "atom1_serNum": 1087, "atom2_serNum": 1116, "donAcc_type": "standard", "distance": 2.768, "atom1_id": "///C/65/O", "atom2_id": "///C/69/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 137, "atom1_serNum": 1094, "atom2_serNum": 1125, "donAcc_type": "standard", "distance": 3.199, "atom1_id": "///C/66/O", "atom2_id": "///C/70/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 138, "atom1_serNum": 1102, "atom2_serNum": 1139, "donAcc_type": "standard", "distance": 2.834, "atom1_id": "///C/67/O", "atom2_id": "///C/71/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 139, "atom1_serNum": 1110, "atom2_serNum": 1147, "donAcc_type": "standard", "distance": 3.290, "atom1_id": "///C/68/O", "atom2_id": "///C/72/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 140, "atom1_serNum": 1119, "atom2_serNum": 1155, "donAcc_type": "standard", "distance": 3.106, "atom1_id": "///C/69/O", "atom2_id": "///C/73/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 141, "atom1_serNum": 1128, "atom2_serNum": 1163, "donAcc_type": "standard", "distance": 2.798, "atom1_id": "///C/70/O", "atom2_id": "///C/74/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 142, "atom1_serNum": 1142, "atom2_serNum": 1168, "donAcc_type": "standard", "distance": 2.950, "atom1_id": "///C/71/O", "atom2_id": "///C/75/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 143, "atom1_serNum": 1150, "atom2_serNum": 1168, "donAcc_type": "standard", "distance": 2.826, "atom1_id": "///C/72/O", "atom2_id": "///C/75/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 144, "atom1_serNum": 1154, "atom2_serNum": 1176, "donAcc_type": "standard", "distance": 3.128, "atom1_id": "///C/72/ND2", "atom2_id": "///C/75/OE2", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 145, "atom1_serNum": 1196, "atom2_serNum": 1493, "donAcc_type": "standard", "distance": 2.909, "atom1_id": "///C/103/NZ", "atom2_id": "///C/141/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 146, "atom1_serNum": 1200, "atom2_serNum": 1213, "donAcc_type": "standard", "distance": 3.127, "atom1_id": "///C/104/O", "atom2_id": "///C/106/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 147, "atom1_serNum": 1205, "atom2_serNum": 1220, "donAcc_type": "standard", "distance": 3.274, "atom1_id": "///C/105/O", "atom2_id": "///C/107/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 148, "atom1_serNum": 1216, "atom2_serNum": 1226, "donAcc_type": "standard", "distance": 3.219, "atom1_id": "///C/106/O", "atom2_id": "///C/108/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 149, "atom1_serNum": 1223, "atom2_serNum": 1234, "donAcc_type": "standard", "distance": 3.023, "atom1_id": "///C/107/O", "atom2_id": "///C/109/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 150, "atom1_serNum": 1237, "atom2_serNum": 1266, "donAcc_type": "standard", "distance": 2.915, "atom1_id": "///C/109/O", "atom2_id": "///C/113/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 151, "atom1_serNum": 1246, "atom2_serNum": 1277, "donAcc_type": "standard", "distance": 3.100, "atom1_id": "///C/110/O", "atom2_id": "///C/114/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 152, "atom1_serNum": 1253, "atom2_serNum": 1284, "donAcc_type": "standard", "distance": 3.083, "atom1_id": "///C/111/O", "atom2_id": "///C/115/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 153, "atom1_serNum": 1261, "atom2_serNum": 1289, "donAcc_type": "standard", "distance": 2.894, "atom1_id": "///C/112/O", "atom2_id": "///C/116/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 154, "atom1_serNum": 1269, "atom2_serNum": 1297, "donAcc_type": "standard", "distance": 2.864, "atom1_id": "///C/113/O", "atom2_id": "///C/117/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 155, "atom1_serNum": 1280, "atom2_serNum": 1297, "donAcc_type": "standard", "distance": 2.791, "atom1_id": "///C/114/O", "atom2_id": "///C/117/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 156, "atom1_serNum": 1280, "atom2_serNum": 1306, "donAcc_type": "standard", "distance": 2.724, "atom1_id": "///C/114/O", "atom2_id": "///C/118/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 157, "atom1_serNum": 1287, "atom2_serNum": 1311, "donAcc_type": "standard", "distance": 2.808, "atom1_id": "///C/115/O", "atom2_id": "///C/119/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 158, "atom1_serNum": 1292, "atom2_serNum": 1317, "donAcc_type": "standard", "distance": 2.862, "atom1_id": "///C/116/O", "atom2_id": "///C/120/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 159, "atom1_serNum": 1300, "atom2_serNum": 1328, "donAcc_type": "standard", "distance": 2.996, "atom1_id": "///C/117/O", "atom2_id": "///C/121/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 160, "atom1_serNum": 1304, "atom2_serNum": 1592, "donAcc_type": "standard", "distance": 2.975, "atom1_id": "///C/117/OE1", "atom2_id": "///C/152/NE", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 161, "atom1_serNum": 1305, "atom2_serNum": 1592, "donAcc_type": "standard", "distance": 2.994, "atom1_id": "///C/117/OE2", "atom2_id": "///C/152/NE", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 162, "atom1_serNum": 1305, "atom2_serNum": 1595, "donAcc_type": "standard", "distance": 2.859, "atom1_id": "///C/117/OE2", "atom2_id": "///C/152/NH2", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 163, "atom1_serNum": 1309, "atom2_serNum": 1336, "donAcc_type": "standard", "distance": 3.403, "atom1_id": "///C/118/O", "atom2_id": "///C/122/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 164, "atom1_serNum": 1314, "atom2_serNum": 1336, "donAcc_type": "standard", "distance": 2.994, "atom1_id": "///C/119/O", "atom2_id": "///C/122/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 165, "atom1_serNum": 1314, "atom2_serNum": 1345, "donAcc_type": "standard", "distance": 2.956, "atom1_id": "///C/119/O", "atom2_id": "///C/123/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 166, "atom1_serNum": 1352, "atom2_serNum": 1407, "donAcc_type": "standard", "distance": 2.936, "atom1_id": "///C/123/ND2", "atom2_id": "///C/130/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 167, "atom1_serNum": 1356, "atom2_serNum": 1605, "donAcc_type": "standard", "distance": 3.604, "atom1_id": "///C/124/O", "atom2_id": "///C/153/NH1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 168, "atom1_serNum": 1378, "atom2_serNum": 1407, "donAcc_type": "standard", "distance": 3.042, "atom1_id": "///C/127/N", "atom2_id": "///C/130/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 169, "atom1_serNum": 1381, "atom2_serNum": 1400, "donAcc_type": "standard", "distance": 2.691, "atom1_id": "///C/127/O", "atom2_id": "///C/130/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 170, "atom1_serNum": 1381, "atom2_serNum": 1409, "donAcc_type": "standard", "distance": 2.724, "atom1_id": "///C/127/O", "atom2_id": "///C/131/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 171, "atom1_serNum": 1383, "atom2_serNum": 1400, "donAcc_type": "acceptable", "distance": 2.933, "atom1_id": "///C/127/OG1", "atom2_id": "///C/130/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 172, "atom1_serNum": 1388, "atom2_serNum": 1417, "donAcc_type": "standard", "distance": 2.824, "atom1_id": "///C/128/O", "atom2_id": "///C/132/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 173, "atom1_serNum": 1388, "atom2_serNum": 1422, "donAcc_type": "acceptable", "distance": 2.956, "atom1_id": "///C/128/O", "atom2_id": "///C/132/OG1", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 174, "atom1_serNum": 1394, "atom2_serNum": 1424, "donAcc_type": "standard", "distance": 2.818, "atom1_id": "///C/129/O", "atom2_id": "///C/133/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 175, "atom1_serNum": 1403, "atom2_serNum": 1432, "donAcc_type": "standard", "distance": 2.906, "atom1_id": "///C/130/O", "atom2_id": "///C/134/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 176, "atom1_serNum": 1412, "atom2_serNum": 1440, "donAcc_type": "standard", "distance": 2.922, "atom1_id": "///C/131/O", "atom2_id": "///C/135/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 177, "atom1_serNum": 1420, "atom2_serNum": 1445, "donAcc_type": "standard", "distance": 2.999, "atom1_id": "///C/132/O", "atom2_id": "///C/136/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 178, "atom1_serNum": 1427, "atom2_serNum": 1453, "donAcc_type": "standard", "distance": 3.039, "atom1_id": "///C/133/O", "atom2_id": "///C/137/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 179, "atom1_serNum": 1435, "atom2_serNum": 1462, "donAcc_type": "standard", "distance": 2.714, "atom1_id": "///C/134/O", "atom2_id": "///C/138/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 180, "atom1_serNum": 1443, "atom2_serNum": 1478, "donAcc_type": "standard", "distance": 3.153, "atom1_id": "///C/135/O", "atom2_id": "///C/140/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 181, "atom1_serNum": 1443, "atom2_serNum": 1481, "donAcc_type": "questionable", "distance": 3.054, "atom1_id": "///C/135/O", "atom2_id": "///C/140/O", "atom_pair": "O:O", "residue_pair": "aa:aa" }, { "index": 182, "atom1_serNum": 1448, "atom2_serNum": 1470, "donAcc_type": "standard", "distance": 3.672, "atom1_id": "///C/136/O", "atom2_id": "///C/139/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 183, "atom1_serNum": 1465, "atom2_serNum": 1478, "donAcc_type": "standard", "distance": 2.656, "atom1_id": "///C/138/O", "atom2_id": "///C/140/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 184, "atom1_serNum": 1489, "atom2_serNum": 1520, "donAcc_type": "standard", "distance": 3.662, "atom1_id": "///C/141/O", "atom2_id": "///C/145/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 185, "atom1_serNum": 1498, "atom2_serNum": 1520, "donAcc_type": "standard", "distance": 2.815, "atom1_id": "///C/142/O", "atom2_id": "///C/145/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 186, "atom1_serNum": 1498, "atom2_serNum": 1528, "donAcc_type": "standard", "distance": 3.245, "atom1_id": "///C/142/O", "atom2_id": "///C/146/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 187, "atom1_serNum": 1507, "atom2_serNum": 1539, "donAcc_type": "standard", "distance": 3.114, "atom1_id": "///C/143/O", "atom2_id": "///C/147/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 188, "atom1_serNum": 1511, "atom2_serNum": 1537, "donAcc_type": "standard", "distance": 2.992, "atom1_id": "///C/143/OE1", "atom2_id": "///C/146/NH1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 189, "atom1_serNum": 1512, "atom2_serNum": 1537, "donAcc_type": "standard", "distance": 2.750, "atom1_id": "///C/143/OE2", "atom2_id": "///C/146/NH1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 190, "atom1_serNum": 1516, "atom2_serNum": 1546, "donAcc_type": "standard", "distance": 3.254, "atom1_id": "///C/144/O", "atom2_id": "///C/148/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 191, "atom1_serNum": 1523, "atom2_serNum": 1560, "donAcc_type": "standard", "distance": 2.946, "atom1_id": "///C/145/O", "atom2_id": "///C/149/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 192, "atom1_serNum": 1531, "atom2_serNum": 1571, "donAcc_type": "standard", "distance": 3.033, "atom1_id": "///C/146/O", "atom2_id": "///C/150/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 193, "atom1_serNum": 1542, "atom2_serNum": 1577, "donAcc_type": "standard", "distance": 2.860, "atom1_id": "///C/147/O", "atom2_id": "///C/151/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 194, "atom1_serNum": 1549, "atom2_serNum": 1585, "donAcc_type": "standard", "distance": 2.764, "atom1_id": "///C/148/O", "atom2_id": "///C/152/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 195, "atom1_serNum": 1563, "atom2_serNum": 1596, "donAcc_type": "standard", "distance": 3.201, "atom1_id": "///C/149/O", "atom2_id": "///C/153/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 196, "atom1_serNum": 1574, "atom2_serNum": 1607, "donAcc_type": "standard", "distance": 3.243, "atom1_id": "///C/150/O", "atom2_id": "///C/154/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 197, "atom1_serNum": 1580, "atom2_serNum": 1612, "donAcc_type": "standard", "distance": 2.855, "atom1_id": "///C/151/O", "atom2_id": "///C/155/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 198, "atom1_serNum": 1588, "atom2_serNum": 1594, "donAcc_type": "standard", "distance": 2.771, "atom1_id": "///C/152/O", "atom2_id": "///C/152/NH1", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 199, "atom1_serNum": 1588, "atom2_serNum": 1621, "donAcc_type": "standard", "distance": 2.840, "atom1_id": "///C/152/O", "atom2_id": "///C/156/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 200, "atom1_serNum": 1594, "atom2_serNum": 1628, "donAcc_type": "standard", "distance": 3.116, "atom1_id": "///C/152/NH1", "atom2_id": "///C/156/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 201, "atom1_serNum": 1595, "atom2_serNum": 1628, "donAcc_type": "standard", "distance": 3.350, "atom1_id": "///C/152/NH2", "atom2_id": "///C/156/OE1", "atom_pair": "N:O", "residue_pair": "aa:aa" }, { "index": 202, "atom1_serNum": 1599, "atom2_serNum": 1630, "donAcc_type": "standard", "distance": 3.203, "atom1_id": "///C/153/O", "atom2_id": "///C/157/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 203, "atom1_serNum": 1610, "atom2_serNum": 1639, "donAcc_type": "standard", "distance": 3.299, "atom1_id": "///C/154/O", "atom2_id": "///C/158/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 204, "atom1_serNum": 1615, "atom2_serNum": 1650, "donAcc_type": "standard", "distance": 3.299, "atom1_id": "///C/155/O", "atom2_id": "///C/159/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 205, "atom1_serNum": 1624, "atom2_serNum": 1650, "donAcc_type": "standard", "distance": 3.069, "atom1_id": "///C/156/O", "atom2_id": "///C/159/N", "atom_pair": "O:N", "residue_pair": "aa:aa" }, { "index": 206, "atom1_serNum": 1624, "atom2_serNum": 1658, "donAcc_type": "standard", "distance": 2.879, "atom1_id": "///C/156/O", "atom2_id": "///C/160/N", "atom_pair": "O:N", "residue_pair": "aa:aa" } ], "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": "1oct", "num_aaChains": 1, "aaChains": "C=131", "num_naChains": 2, "naChains": "A=15,B=15", "num_atoms": 1670, "num_waters": 0, "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": 12, "auxfiles": [ { "index": 1, "name": "dssr-pairs.pdb", "desc": "an ensemble of base pairs" }, { "index": 2, "name": "dssr-stems.pdb", "desc": "an ensemble of stems" }, { "index": 3, "name": "dssr-helices.pdb", "desc": "an ensemble of helices (coaxial stacking)" }, { "index": 4, "name": "dssr-2ndstrs.bpseq", "desc": "secondary structure in bpseq format" }, { "index": 5, "name": "dssr-2ndstrs.ct", "desc": "secondary structure in connectivity table format" }, { "index": 6, "name": "dssr-2ndstrs.dbn", "desc": "secondary structure in dot-bracket notation" }, { "index": 7, "name": "dssr-torsions.txt", "desc": "backbone torsion angles and suite names" }, { "index": 8, "name": "dssr-stacks.pdb", "desc": "an ensemble of base stacks" }, { "index": 9, "name": "dssr-rotmat.txt", "desc": "position vector and rotation matrix" }, { "index": 10, "name": "dssr-viewV.pdb", "desc": "vertical view of the principal moment of inertia" }, { "index": 11, "name": "dssr-viewH.pdb", "desc": "horizontal view of the principal moment of inertia" }, { "index": 12, "name": "dssr-viewT.pdb", "desc": "top view of the principal moment of inertia" } ], "time_used": "999" } }