NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
384450 | 1kka | 5256 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1kka save_distance_constraint_statistics_1 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 1 _Distance_constraint_stats_list.Constraint_count 294 _Distance_constraint_stats_list.Viol_count 322 _Distance_constraint_stats_list.Viol_total 171.120 _Distance_constraint_stats_list.Viol_max 0.241 _Distance_constraint_stats_list.Viol_rms 0.0304 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0091 _Distance_constraint_stats_list.Viol_average_violations_only 0.0664 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 1 G 0.525 0.075 6 0 "[ . ]" 1 2 G 1.768 0.095 7 0 "[ . ]" 1 3 G 1.050 0.095 7 0 "[ . ]" 1 4 G 0.855 0.085 8 0 "[ . ]" 1 5 A 2.038 0.123 5 0 "[ . ]" 1 6 U 1.382 0.083 3 0 "[ . ]" 1 7 U 4.171 0.241 5 0 "[ . ]" 1 8 G 2.162 0.167 8 0 "[ . ]" 1 9 A 6.279 0.241 5 0 "[ . ]" 1 10 A 9.911 0.237 5 0 "[ . ]" 1 11 A 4.192 0.167 8 0 "[ . ]" 1 12 A 1.838 0.122 6 0 "[ . ]" 1 13 U 1.082 0.113 5 0 "[ . ]" 1 14 C 1.386 0.123 5 0 "[ . ]" 1 15 C 0.115 0.059 8 0 "[ . ]" 1 16 C 0.814 0.114 6 0 "[ . ]" 1 17 C 0.946 0.114 6 0 "[ . ]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 13 U H6 1 14 C H41 7.000 . 7.000 7.008 6.852 7.064 0.064 3 0 "[ . ]" 1 2 1 5 A H1' 1 14 C H42 7.000 . 7.000 7.086 7.055 7.123 0.123 5 0 "[ . ]" 1 3 1 5 A H1' 1 14 C H41 7.000 . 7.000 5.483 5.413 5.594 . 0 0 "[ . ]" 1 4 1 14 C H5 1 15 C H42 7.000 . 7.000 4.437 3.750 5.845 . 0 0 "[ . ]" 1 5 1 16 C H42 1 17 C H41 6.000 . 6.000 4.190 3.547 4.330 . 0 0 "[ . ]" 1 6 1 16 C H42 1 17 C H6 7.000 . 7.000 5.770 5.309 6.800 . 0 0 "[ . ]" 1 7 1 5 A H1' 1 5 A H62 7.000 . 7.000 6.618 6.609 6.628 . 0 0 "[ . ]" 1 8 1 2 G H1 1 17 C H41 5.000 . 5.000 4.431 4.140 4.669 . 0 0 "[ . ]" 1 9 1 2 G H1 1 17 C H42 5.000 . 5.000 5.010 4.912 5.035 0.035 6 0 "[ . ]" 1 10 1 2 G H1 1 16 C H41 4.000 . 4.000 2.354 2.256 2.424 . 0 0 "[ . ]" 1 11 1 2 G H1 1 16 C H42 4.000 . 4.000 3.933 3.783 4.023 0.023 3 0 "[ . ]" 1 12 1 2 G H1 1 15 C H42 7.000 . 7.000 6.288 5.762 6.980 . 0 0 "[ . ]" 1 13 1 3 G H1 1 16 C H42 6.000 . 6.000 3.807 2.337 5.058 . 0 0 "[ . ]" 1 14 1 3 G H1 1 15 C H41 4.000 . 4.000 2.339 2.017 2.481 . 0 0 "[ . ]" 1 15 1 3 G H1 1 15 C H42 4.000 . 4.000 3.893 3.418 4.019 0.019 3 0 "[ . ]" 1 16 1 4 G H1 1 15 C H41 5.000 . 5.000 3.051 2.664 4.209 . 0 0 "[ . ]" 1 17 1 4 G H1 1 15 C H42 6.000 . 6.000 3.431 2.200 4.897 . 0 0 "[ . ]" 1 18 1 4 G H1 1 14 C H41 4.000 . 4.000 2.099 1.754 2.342 . 0 0 "[ . ]" 1 19 1 4 G H1 1 14 C H42 4.000 . 4.000 3.630 3.248 3.826 . 0 0 "[ . ]" 1 20 1 4 G H1 1 5 A H62 7.000 . 7.000 5.597 5.216 6.028 . 0 0 "[ . ]" 1 21 1 4 G H1 1 5 A H61 6.000 . 6.000 5.550 5.139 5.995 . 0 0 "[ . ]" 1 22 1 2 G H1 1 3 G H1 6.000 . 6.000 5.154 4.405 5.638 . 0 0 "[ . ]" 1 23 1 3 G H1 1 4 G H1 5.000 . 5.000 4.129 3.392 5.019 0.019 7 0 "[ . ]" 1 24 1 4 G H1 1 13 U H3 7.000 . 7.000 5.731 5.018 6.393 . 0 0 "[ . ]" 1 25 1 2 G H1 1 16 C H6 7.000 . 7.000 5.919 5.648 6.036 . 0 0 "[ . ]" 1 26 1 2 G H1 1 17 C H6 6.000 . 6.000 5.638 5.322 5.951 . 0 0 "[ . ]" 1 27 1 2 G H1 1 3 G H8 6.000 . 6.000 5.492 4.880 5.978 . 0 0 "[ . ]" 1 28 1 3 G H1 1 16 C H6 7.000 . 7.000 6.493 6.111 6.906 . 0 0 "[ . ]" 1 29 1 3 G H1 1 4 G H8 7.000 . 7.000 5.840 5.238 6.319 . 0 0 "[ . ]" 1 30 1 4 G H1 1 14 C H6 7.000 . 7.000 5.862 5.747 5.928 . 0 0 "[ . ]" 1 31 1 4 G H1 1 5 A H2 6.000 . 6.000 4.066 3.511 4.446 . 0 0 "[ . ]" 1 32 1 4 G H1 1 5 A H8 7.000 . 7.000 5.618 5.346 5.891 . 0 0 "[ . ]" 1 33 1 2 G H1 1 16 C H2' 6.000 . 6.000 5.738 5.320 5.973 . 0 0 "[ . ]" 1 34 1 2 G H1 1 17 C H1' 6.000 . 6.000 5.030 4.666 5.718 . 0 0 "[ . ]" 1 35 1 2 G H1 1 3 G H1' 6.000 . 6.000 5.923 4.993 6.095 0.095 7 0 "[ . ]" 1 36 1 2 G H1 1 2 G H1' 6.000 . 6.000 6.047 5.954 6.090 0.090 6 0 "[ . ]" 1 37 1 3 G H1 1 4 G H1' 5.000 . 5.000 4.943 4.548 5.085 0.085 8 0 "[ . ]" 1 38 1 3 G H1 1 3 G H1' 7.000 . 7.000 6.082 5.990 6.236 . 0 0 "[ . ]" 1 39 1 3 G H1 1 5 A H1' 7.000 . 7.000 6.734 6.500 7.054 0.054 8 0 "[ . ]" 1 40 1 4 G H1 1 14 C H5 5.000 . 5.000 4.897 4.622 4.992 . 0 0 "[ . ]" 1 41 1 4 G H1 1 14 C H1' 7.000 . 7.000 5.820 5.605 6.012 . 0 0 "[ . ]" 1 42 1 4 G H1 1 4 G H1' 7.000 . 7.000 6.017 5.989 6.074 . 0 0 "[ . ]" 1 43 1 4 G H1 1 5 A H1' 5.000 . 5.000 4.166 4.052 4.295 . 0 0 "[ . ]" 1 44 1 5 A H61 1 13 U H3 5.000 . 5.000 2.788 2.267 3.187 . 0 0 "[ . ]" 1 45 1 13 U H3 1 14 C H42 7.000 . 7.000 3.754 3.054 4.398 . 0 0 "[ . ]" 1 46 1 13 U H3 1 14 C H6 7.000 . 7.000 6.056 5.627 6.392 . 0 0 "[ . ]" 1 47 1 5 A H2 1 13 U H3 4.000 . 4.000 2.914 2.538 3.294 . 0 0 "[ . ]" 1 48 1 5 A H62 1 13 U H3 5.000 . 5.000 4.272 3.842 4.655 . 0 0 "[ . ]" 1 49 1 13 U H3 1 14 C H41 7.000 . 7.000 4.110 3.644 4.666 . 0 0 "[ . ]" 1 50 1 6 U H3 1 12 A H2 4.000 . 4.000 3.222 2.988 3.433 . 0 0 "[ . ]" 1 51 1 1 G H8 1 2 G H8 6.000 . 6.000 5.299 4.037 5.976 . 0 0 "[ . ]" 1 52 1 2 G H8 1 3 G H8 6.000 . 6.000 4.705 3.732 5.483 . 0 0 "[ . ]" 1 53 1 3 G H8 1 4 G H8 7.000 . 7.000 4.785 3.788 5.580 . 0 0 "[ . ]" 1 54 1 4 G H8 1 5 A H8 6.000 . 6.000 4.384 4.066 4.947 . 0 0 "[ . ]" 1 55 1 5 A H8 1 6 U H6 6.000 . 6.000 4.475 3.965 4.821 . 0 0 "[ . ]" 1 56 1 7 U H6 1 8 G H8 6.000 . 6.000 5.609 4.960 5.897 . 0 0 "[ . ]" 1 57 1 8 G H8 1 9 A H8 7.000 . 7.000 6.151 6.100 6.186 . 0 0 "[ . ]" 1 58 1 9 A H2 1 10 A H8 7.000 . 7.000 3.941 3.881 3.989 . 0 0 "[ . ]" 1 59 1 10 A H2 1 11 A H2 7.000 . 7.000 5.408 5.006 5.881 . 0 0 "[ . ]" 1 60 1 10 A H2 1 11 A H8 8.000 . 8.000 7.997 7.908 8.075 0.075 8 0 "[ . ]" 1 61 1 10 A H8 1 11 A H8 6.000 . 6.000 3.823 3.447 4.395 . 0 0 "[ . ]" 1 62 1 11 A H8 1 12 A H8 6.000 . 6.000 6.018 5.919 6.065 0.065 2 0 "[ . ]" 1 63 1 11 A H2 1 12 A H2 6.000 . 6.000 3.383 3.157 3.798 . 0 0 "[ . ]" 1 64 1 12 A H8 1 13 U H6 7.000 . 7.000 5.279 4.490 5.667 . 0 0 "[ . ]" 1 65 1 13 U H6 1 14 C H6 7.000 . 7.000 5.850 5.575 6.226 . 0 0 "[ . ]" 1 66 1 16 C H6 1 17 C H6 7.000 . 7.000 4.408 3.876 4.984 . 0 0 "[ . ]" 1 67 1 1 G H1' 1 2 G H8 5.000 . 5.000 5.019 4.869 5.075 0.075 6 0 "[ . ]" 1 68 1 1 G H1' 1 1 G H8 5.000 . 5.000 3.723 3.586 3.869 . 0 0 "[ . ]" 1 69 1 2 G H1' 1 2 G H8 5.000 . 5.000 3.773 3.730 3.870 . 0 0 "[ . ]" 1 70 1 2 G H1' 1 3 G H8 5.000 . 5.000 5.005 4.920 5.053 0.053 1 0 "[ . ]" 1 71 1 3 G H1' 1 3 G H8 5.000 . 5.000 3.746 3.605 3.826 . 0 0 "[ . ]" 1 72 1 3 G H1' 1 4 G H8 6.000 . 6.000 5.933 5.757 6.032 0.032 2 0 "[ . ]" 1 73 1 4 G H1' 1 4 G H8 5.000 . 5.000 3.789 3.733 3.810 . 0 0 "[ . ]" 1 74 1 4 G H1' 1 5 A H8 6.000 . 6.000 5.408 5.293 5.576 . 0 0 "[ . ]" 1 75 1 5 A H1' 1 5 A H8 5.000 . 5.000 3.673 3.623 3.701 . 0 0 "[ . ]" 1 76 1 4 G H8 1 5 A H1' 8.000 . 8.000 6.369 6.124 6.639 . 0 0 "[ . ]" 1 77 1 5 A H1' 1 5 A H2 6.000 . 6.000 4.858 4.807 4.940 . 0 0 "[ . ]" 1 78 1 5 A H1' 1 6 U H6 5.000 . 5.000 5.054 5.035 5.070 0.070 2 0 "[ . ]" 1 79 1 5 A H8 1 6 U H5 6.000 . 6.000 4.791 4.141 5.186 . 0 0 "[ . ]" 1 80 1 6 U H5 1 7 U H6 7.000 . 7.000 6.458 5.978 6.780 . 0 0 "[ . ]" 1 81 1 6 U H1' 1 6 U H6 5.000 . 5.000 3.267 3.168 3.339 . 0 0 "[ . ]" 1 82 1 6 U H1' 1 7 U H6 5.000 . 5.000 5.041 5.018 5.061 0.061 2 0 "[ . ]" 1 83 1 5 A H2 1 6 U H1' 4.000 . 4.000 2.817 2.626 3.038 . 0 0 "[ . ]" 1 84 1 6 U H6 1 7 U H5 7.000 . 7.000 5.487 4.934 5.948 . 0 0 "[ . ]" 1 85 1 7 U H5 1 8 G H8 7.000 . 7.000 6.641 5.897 7.008 0.008 4 0 "[ . ]" 1 86 1 7 U H1' 1 7 U H6 5.000 . 5.000 3.474 3.429 3.514 . 0 0 "[ . ]" 1 87 1 7 U H1' 1 8 G H8 6.000 . 6.000 5.820 5.516 6.006 0.006 1 0 "[ . ]" 1 88 1 7 U H1' 1 9 A H8 6.000 . 6.000 6.224 6.203 6.241 0.241 5 0 "[ . ]" 1 89 1 7 U H1' 1 12 A H2 4.000 . 4.000 2.985 2.735 3.414 . 0 0 "[ . ]" 1 90 1 8 G H1' 1 9 A H8 4.000 . 4.000 2.417 2.327 2.551 . 0 0 "[ . ]" 1 91 1 8 G H1' 1 8 G H8 4.000 . 4.000 3.894 3.886 3.900 . 0 0 "[ . ]" 1 92 1 8 G H1' 1 10 A H2 7.000 . 7.000 7.017 6.957 7.056 0.056 7 0 "[ . ]" 1 93 1 8 G H1' 1 11 A H2 6.000 . 6.000 6.141 6.133 6.167 0.167 8 0 "[ . ]" 1 94 1 9 A H1' 1 9 A H8 5.000 . 5.000 3.922 3.895 3.933 . 0 0 "[ . ]" 1 95 1 9 A H1' 1 10 A H8 5.000 . 5.000 2.788 2.671 2.861 . 0 0 "[ . ]" 1 96 1 9 A H1' 1 9 A H2 6.000 . 6.000 4.404 4.388 4.433 . 0 0 "[ . ]" 1 97 1 9 A H1' 1 10 A H2 7.000 . 7.000 6.991 6.808 7.039 0.039 3 0 "[ . ]" 1 98 1 10 A H1' 1 10 A H2 6.000 . 6.000 5.025 4.973 5.069 . 0 0 "[ . ]" 1 99 1 10 A H1' 1 10 A H8 4.000 . 4.000 3.578 3.550 3.613 . 0 0 "[ . ]" 1 100 1 10 A H1' 1 11 A H8 5.000 . 5.000 3.637 3.543 3.722 . 0 0 "[ . ]" 1 101 1 9 A H2 1 10 A H1' 7.000 . 7.000 7.164 7.155 7.180 0.180 2 0 "[ . ]" 1 102 1 10 A H1' 1 11 A H2 7.000 . 7.000 6.116 5.668 6.452 . 0 0 "[ . ]" 1 103 1 11 A H1' 1 11 A H8 5.000 . 5.000 3.869 3.845 3.894 . 0 0 "[ . ]" 1 104 1 11 A H1' 1 12 A H8 5.000 . 5.000 4.234 3.840 4.666 . 0 0 "[ . ]" 1 105 1 10 A H2 1 11 A H1' 5.000 . 5.000 5.070 5.023 5.113 0.113 6 0 "[ . ]" 1 106 1 10 A H8 1 11 A H1' 8.000 . 8.000 4.994 4.723 5.299 . 0 0 "[ . ]" 1 107 1 12 A H1' 1 12 A H8 5.000 . 5.000 3.663 3.616 3.694 . 0 0 "[ . ]" 1 108 1 10 A H8 1 12 A H1' 7.000 . 7.000 7.084 7.049 7.122 0.122 6 0 "[ . ]" 1 109 1 10 A H2 1 12 A H1' 6.000 . 6.000 5.011 4.596 5.799 . 0 0 "[ . ]" 1 110 1 12 A H1' 1 13 U H6 5.000 . 5.000 5.092 5.061 5.113 0.113 5 0 "[ . ]" 1 111 1 11 A H2 1 12 A H1' 4.000 . 4.000 3.924 3.838 4.003 0.003 5 0 "[ . ]" 1 112 1 12 A H8 1 13 U H5 6.000 . 6.000 4.709 4.227 4.977 . 0 0 "[ . ]" 1 113 1 13 U H1' 1 13 U H6 5.000 . 5.000 3.545 3.414 3.644 . 0 0 "[ . ]" 1 114 1 13 U H1' 1 14 C H6 6.000 . 6.000 5.574 5.472 5.796 . 0 0 "[ . ]" 1 115 1 12 A H2 1 13 U H1' 4.000 . 4.000 3.636 3.446 4.036 0.036 6 0 "[ . ]" 1 116 1 13 U H6 1 14 C H5 6.000 . 6.000 4.649 4.435 5.326 . 0 0 "[ . ]" 1 117 1 14 C H1' 1 15 C H6 6.000 . 6.000 5.661 5.415 6.059 0.059 8 0 "[ . ]" 1 118 1 14 C H1' 1 14 C H6 5.000 . 5.000 3.617 3.548 3.645 . 0 0 "[ . ]" 1 119 1 5 A H2 1 14 C H1' 5.000 . 5.000 5.044 5.014 5.086 0.086 5 0 "[ . ]" 1 120 1 16 C H1' 1 17 C H6 5.000 . 5.000 4.924 4.781 5.025 0.025 7 0 "[ . ]" 1 121 1 17 C H1' 1 17 C H6 5.000 . 5.000 3.545 3.469 3.677 . 0 0 "[ . ]" 1 122 1 1 G H2' 1 1 G H8 5.000 . 5.000 3.814 3.372 4.271 . 0 0 "[ . ]" 1 123 1 2 G H2' 1 2 G H8 6.000 . 6.000 3.883 3.519 4.047 . 0 0 "[ . ]" 1 124 1 2 G H2' 1 3 G H8 4.000 . 4.000 2.557 2.322 3.056 . 0 0 "[ . ]" 1 125 1 3 G H2' 1 4 G H8 4.000 . 4.000 3.593 3.208 3.753 . 0 0 "[ . ]" 1 126 1 4 G H2' 1 4 G H8 6.000 . 6.000 3.826 3.741 3.987 . 0 0 "[ . ]" 1 127 1 4 G H2' 1 5 A H8 3.000 . 3.000 3.063 3.042 3.080 0.080 5 0 "[ . ]" 1 128 1 5 A H2' 1 5 A H8 6.000 . 6.000 4.120 4.059 4.204 . 0 0 "[ . ]" 1 129 1 5 A H2' 1 6 U H6 4.000 . 4.000 2.756 2.613 3.021 . 0 0 "[ . ]" 1 130 1 5 A H2 1 6 U H2' 7.000 . 7.000 5.107 4.902 5.518 . 0 0 "[ . ]" 1 131 1 6 U H2' 1 12 A H2 7.000 . 7.000 4.335 4.086 4.536 . 0 0 "[ . ]" 1 132 1 6 U H2' 1 6 U H6 5.000 . 5.000 4.335 4.269 4.421 . 0 0 "[ . ]" 1 133 1 6 U H2' 1 7 U H6 4.000 . 4.000 2.372 2.318 2.461 . 0 0 "[ . ]" 1 134 1 7 U H2' 1 7 U H6 4.000 . 4.000 4.016 3.845 4.107 0.107 2 0 "[ . ]" 1 135 1 7 U H2' 1 8 G H8 6.000 . 6.000 3.172 2.770 3.424 . 0 0 "[ . ]" 1 136 1 7 U H2' 1 9 A H8 6.000 . 6.000 4.853 4.672 5.161 . 0 0 "[ . ]" 1 137 1 7 U H2' 1 10 A H2 6.000 . 6.000 6.149 6.085 6.192 0.192 8 0 "[ . ]" 1 138 1 8 G H2' 1 8 G H8 3.000 . 3.000 2.823 2.757 2.910 . 0 0 "[ . ]" 1 139 1 8 G H2' 1 9 A H8 6.000 . 6.000 4.763 4.724 4.820 . 0 0 "[ . ]" 1 140 1 9 A H2' 1 9 A H8 3.000 . 3.000 2.811 2.754 2.976 . 0 0 "[ . ]" 1 141 1 9 A H2' 1 10 A H8 6.000 . 6.000 5.229 5.203 5.252 . 0 0 "[ . ]" 1 142 1 10 A H2' 1 10 A H8 3.000 . 3.000 2.204 2.096 2.312 . 0 0 "[ . ]" 1 143 1 10 A H2' 1 11 A H8 6.000 . 6.000 3.977 3.763 4.442 . 0 0 "[ . ]" 1 144 1 11 A H2' 1 11 A H8 3.000 . 3.000 2.881 2.664 3.051 0.051 6 0 "[ . ]" 1 145 1 11 A H2' 1 12 A H8 4.000 . 4.000 3.361 3.069 3.705 . 0 0 "[ . ]" 1 146 1 12 A H2' 1 12 A H8 5.000 . 5.000 4.153 4.083 4.245 . 0 0 "[ . ]" 1 147 1 12 A H2' 1 13 U H6 5.000 . 5.000 2.421 2.304 2.690 . 0 0 "[ . ]" 1 148 1 13 U H2' 1 13 U H6 5.000 . 5.000 3.915 3.685 4.164 . 0 0 "[ . ]" 1 149 1 13 U H2' 1 14 C H6 3.000 . 3.000 2.825 2.725 3.058 0.058 8 0 "[ . ]" 1 150 1 14 C H2' 1 15 C H6 4.000 . 4.000 2.919 2.683 3.356 . 0 0 "[ . ]" 1 151 1 15 C H2' 1 16 C H6 5.000 . 5.000 2.996 2.546 4.131 . 0 0 "[ . ]" 1 152 1 16 C H2' 1 16 C H6 5.000 . 5.000 3.469 3.280 3.601 . 0 0 "[ . ]" 1 153 1 16 C H2' 1 17 C H6 3.000 . 3.000 2.430 2.165 2.596 . 0 0 "[ . ]" 1 154 1 17 C H2' 1 17 C H6 5.000 . 5.000 3.931 3.592 4.092 . 0 0 "[ . ]" 1 155 1 2 G H3' 1 2 G H8 5.000 . 5.000 3.022 2.634 3.226 . 0 0 "[ . ]" 1 156 1 2 G H3' 1 3 G H8 5.000 . 5.000 3.489 2.916 4.091 . 0 0 "[ . ]" 1 157 1 3 G H3' 1 3 G H8 6.000 . 6.000 3.088 2.780 3.629 . 0 0 "[ . ]" 1 158 1 4 G H3' 1 4 G H8 5.000 . 5.000 3.043 2.949 3.312 . 0 0 "[ . ]" 1 159 1 4 G H3' 1 5 A H8 5.000 . 5.000 3.626 3.451 3.915 . 0 0 "[ . ]" 1 160 1 5 A H3' 1 5 A H8 6.000 . 6.000 3.384 3.262 3.550 . 0 0 "[ . ]" 1 161 1 5 A H3' 1 6 U H6 5.000 . 5.000 3.134 2.853 3.463 . 0 0 "[ . ]" 1 162 1 6 U H3' 1 6 U H6 4.000 . 4.000 3.895 3.761 4.054 0.054 2 0 "[ . ]" 1 163 1 6 U H3' 1 7 U H6 6.000 . 6.000 3.355 3.160 3.522 . 0 0 "[ . ]" 1 164 1 7 U H3' 1 7 U H6 5.000 . 5.000 3.759 3.506 4.176 . 0 0 "[ . ]" 1 165 1 7 U H3' 1 8 G H8 5.000 . 5.000 2.665 2.578 2.811 . 0 0 "[ . ]" 1 166 1 8 G H3' 1 9 A H8 6.000 . 6.000 4.577 4.421 4.655 . 0 0 "[ . ]" 1 167 1 8 G H3' 1 8 G H8 5.000 . 5.000 4.450 4.416 4.523 . 0 0 "[ . ]" 1 168 1 9 A H3' 1 9 A H8 5.000 . 5.000 4.518 4.486 4.592 . 0 0 "[ . ]" 1 169 1 9 A H3' 1 10 A H8 6.000 . 6.000 6.219 6.211 6.237 0.237 5 0 "[ . ]" 1 170 1 10 A H3' 1 10 A H8 5.000 . 5.000 4.536 4.432 4.626 . 0 0 "[ . ]" 1 171 1 10 A H2 1 10 A H3' 8.000 . 8.000 8.108 8.092 8.138 0.138 2 0 "[ . ]" 1 172 1 11 A H3' 1 11 A H8 4.000 . 4.000 4.028 3.895 4.069 0.069 8 0 "[ . ]" 1 173 1 11 A H3' 1 12 A H8 5.000 . 5.000 4.540 4.238 4.906 . 0 0 "[ . ]" 1 174 1 12 A H3' 1 12 A H8 6.000 . 6.000 3.451 3.347 3.554 . 0 0 "[ . ]" 1 175 1 12 A H3' 1 13 U H6 5.000 . 5.000 2.952 2.658 3.262 . 0 0 "[ . ]" 1 176 1 13 U H3' 1 13 U H6 5.000 . 5.000 3.091 2.771 3.542 . 0 0 "[ . ]" 1 177 1 16 C H3' 1 16 C H6 5.000 . 5.000 2.513 2.307 2.693 . 0 0 "[ . ]" 1 178 1 16 C H3' 1 17 C H6 7.000 . 7.000 3.555 3.366 3.720 . 0 0 "[ . ]" 1 179 1 17 C H3' 1 17 C H6 5.000 . 5.000 3.150 2.692 3.400 . 0 0 "[ . ]" 1 180 1 2 G H4' 1 2 G H8 7.000 . 7.000 4.426 4.376 4.477 . 0 0 "[ . ]" 1 181 1 3 G H4' 1 3 G H8 7.000 . 7.000 4.443 4.397 4.500 . 0 0 "[ . ]" 1 182 1 4 G H4' 1 4 G H8 6.000 . 6.000 4.439 4.414 4.464 . 0 0 "[ . ]" 1 183 1 4 G H4' 1 5 A H8 7.000 . 7.000 6.380 6.280 6.557 . 0 0 "[ . ]" 1 184 1 5 A H4' 1 5 A H8 7.000 . 7.000 4.437 4.401 4.465 . 0 0 "[ . ]" 1 185 1 5 A H4' 1 6 U H6 7.000 . 7.000 5.923 5.740 6.111 . 0 0 "[ . ]" 1 186 1 6 U H4' 1 6 U H6 5.000 . 5.000 4.338 4.282 4.396 . 0 0 "[ . ]" 1 187 1 7 U H4' 1 7 U H6 6.000 . 6.000 4.152 4.118 4.238 . 0 0 "[ . ]" 1 188 1 7 U H4' 1 8 G H8 7.000 . 7.000 5.501 5.336 5.711 . 0 0 "[ . ]" 1 189 1 8 G H4' 1 9 A H8 6.000 . 6.000 3.922 3.720 3.978 . 0 0 "[ . ]" 1 190 1 8 G H4' 1 8 G H8 7.000 . 7.000 4.521 4.498 4.551 . 0 0 "[ . ]" 1 191 1 8 G H4' 1 10 A H2 6.000 . 6.000 4.632 4.589 4.705 . 0 0 "[ . ]" 1 192 1 9 A H4' 1 9 A H8 6.000 . 6.000 4.619 4.530 4.661 . 0 0 "[ . ]" 1 193 1 9 A H4' 1 10 A H8 6.000 . 6.000 4.889 4.840 5.021 . 0 0 "[ . ]" 1 194 1 9 A H4' 1 10 A H2 6.000 . 6.000 4.677 4.575 4.813 . 0 0 "[ . ]" 1 195 1 10 A H4' 1 10 A H8 6.000 . 6.000 5.590 5.546 5.634 . 0 0 "[ . ]" 1 196 1 10 A H4' 1 11 A H8 6.000 . 6.000 6.082 6.014 6.147 0.147 6 0 "[ . ]" 1 197 1 10 A H8 1 11 A H4' 7.000 . 7.000 6.605 6.344 7.001 0.001 8 0 "[ . ]" 1 198 1 11 A H4' 1 11 A H8 6.000 . 6.000 4.641 4.414 4.874 . 0 0 "[ . ]" 1 199 1 11 A H4' 1 12 A H8 6.000 . 6.000 5.928 5.293 6.059 0.059 3 0 "[ . ]" 1 200 1 12 A H4' 1 12 A H8 6.000 . 6.000 4.475 4.442 4.498 . 0 0 "[ . ]" 1 201 1 12 A H4' 1 13 U H6 7.000 . 7.000 5.511 5.283 5.809 . 0 0 "[ . ]" 1 202 1 13 U H4' 1 13 U H6 6.000 . 6.000 4.149 4.111 4.214 . 0 0 "[ . ]" 1 203 1 16 C H4' 1 16 C H6 7.000 . 7.000 4.112 4.083 4.131 . 0 0 "[ . ]" 1 204 1 17 C H4' 1 17 C H6 5.000 . 5.000 4.165 4.139 4.195 . 0 0 "[ . ]" 1 205 1 1 G H5' 1 1 G H8 5.000 . 5.000 3.638 2.606 4.475 . 0 0 "[ . ]" 1 206 1 1 G H5'' 1 1 G H8 5.000 . 5.000 3.131 2.507 4.449 . 0 0 "[ . ]" 1 207 1 1 G H5' 1 2 G H8 6.000 . 6.000 5.826 4.455 6.037 0.037 8 0 "[ . ]" 1 208 1 1 G H5'' 1 2 G H8 6.000 . 6.000 5.996 5.876 6.025 0.025 8 0 "[ . ]" 1 209 1 2 G H5' 1 2 G H8 6.000 . 6.000 3.979 3.300 4.350 . 0 0 "[ . ]" 1 210 1 2 G H5'' 1 2 G H8 6.000 . 6.000 3.334 2.563 4.595 . 0 0 "[ . ]" 1 211 1 3 G H5' 1 3 G H8 6.000 . 6.000 3.925 3.458 4.393 . 0 0 "[ . ]" 1 212 1 3 G H5'' 1 3 G H8 6.000 . 6.000 4.023 2.740 4.544 . 0 0 "[ . ]" 1 213 1 4 G H5' 1 4 G H8 5.000 . 5.000 4.236 3.923 4.560 . 0 0 "[ . ]" 1 214 1 4 G H5'' 1 4 G H8 5.000 . 5.000 3.042 2.604 4.003 . 0 0 "[ . ]" 1 215 1 5 A H5' 1 5 A H8 6.000 . 6.000 4.301 4.105 4.595 . 0 0 "[ . ]" 1 216 1 5 A H5'' 1 5 A H8 6.000 . 6.000 2.868 2.558 3.623 . 0 0 "[ . ]" 1 217 1 6 U H5' 1 6 U H6 6.000 . 6.000 4.607 4.435 4.782 . 0 0 "[ . ]" 1 218 1 6 U H5'' 1 6 U H6 6.000 . 6.000 3.019 2.845 3.197 . 0 0 "[ . ]" 1 219 1 7 U H5' 1 7 U H6 6.000 . 6.000 3.614 3.462 3.834 . 0 0 "[ . ]" 1 220 1 7 U H5'' 1 7 U H6 6.000 . 6.000 4.194 4.086 4.405 . 0 0 "[ . ]" 1 221 1 7 U H5'' 1 8 G H8 7.000 . 7.000 4.656 4.454 4.832 . 0 0 "[ . ]" 1 222 1 7 U H5' 1 8 G H8 7.000 . 7.000 6.051 5.997 6.140 . 0 0 "[ . ]" 1 223 1 8 G H5' 1 8 G H8 5.000 . 5.000 3.943 3.766 4.036 . 0 0 "[ . ]" 1 224 1 8 G H5'' 1 8 G H8 5.000 . 5.000 3.327 2.177 3.767 . 0 0 "[ . ]" 1 225 1 8 G H5' 1 10 A H2 7.000 . 7.000 6.120 5.757 7.010 0.010 5 0 "[ . ]" 1 226 1 8 G H5'' 1 10 A H2 7.000 . 7.000 7.069 7.046 7.130 0.130 6 0 "[ . ]" 1 227 1 8 G H5' 1 9 A H8 6.000 . 6.000 5.988 5.773 6.046 0.046 8 0 "[ . ]" 1 228 1 8 G H5'' 1 9 A H8 6.000 . 6.000 5.964 5.818 6.017 0.017 8 0 "[ . ]" 1 229 1 9 A H5' 1 9 A H8 6.000 . 6.000 2.386 2.344 2.477 . 0 0 "[ . ]" 1 230 1 9 A H5'' 1 9 A H8 6.000 . 6.000 4.140 4.092 4.223 . 0 0 "[ . ]" 1 231 1 9 A H5' 1 10 A H2 6.000 . 6.000 4.471 4.209 4.625 . 0 0 "[ . ]" 1 232 1 9 A H5'' 1 10 A H2 6.000 . 6.000 3.855 3.621 4.201 . 0 0 "[ . ]" 1 233 1 9 A H5' 1 10 A H8 7.000 . 7.000 5.198 5.115 5.347 . 0 0 "[ . ]" 1 234 1 9 A H5'' 1 10 A H8 7.000 . 7.000 6.072 5.894 6.334 . 0 0 "[ . ]" 1 235 1 10 A H5'' 1 10 A H8 6.000 . 6.000 4.387 4.304 4.524 . 0 0 "[ . ]" 1 236 1 10 A H5' 1 10 A H8 6.000 . 6.000 5.859 5.789 5.964 . 0 0 "[ . ]" 1 237 1 9 A H8 1 10 A H5' 8.000 . 8.000 8.057 8.040 8.084 0.084 5 0 "[ . ]" 1 238 1 9 A H8 1 10 A H5'' 8.000 . 8.000 6.348 6.328 6.364 . 0 0 "[ . ]" 1 239 1 10 A H5' 1 11 A H8 7.000 . 7.000 7.101 7.081 7.131 0.131 8 0 "[ . ]" 1 240 1 10 A H5'' 1 11 A H8 7.000 . 7.000 6.431 6.293 6.621 . 0 0 "[ . ]" 1 241 1 11 A H5' 1 11 A H8 5.000 . 5.000 4.221 3.514 4.895 . 0 0 "[ . ]" 1 242 1 11 A H5'' 1 11 A H8 5.000 . 5.000 3.408 2.285 5.024 0.024 2 0 "[ . ]" 1 243 1 12 A H5' 1 12 A H8 6.000 . 6.000 4.367 4.297 4.446 . 0 0 "[ . ]" 1 244 1 12 A H5'' 1 12 A H8 6.000 . 6.000 2.918 2.674 4.086 . 0 0 "[ . ]" 1 245 1 12 A H5' 1 13 U H6 7.000 . 7.000 5.543 5.113 6.818 . 0 0 "[ . ]" 1 246 1 12 A H5'' 1 13 U H6 7.000 . 7.000 5.413 5.096 5.874 . 0 0 "[ . ]" 1 247 1 13 U H5' 1 13 U H6 6.000 . 6.000 3.930 3.660 4.474 . 0 0 "[ . ]" 1 248 1 13 U H5'' 1 13 U H6 6.000 . 6.000 3.738 2.540 4.035 . 0 0 "[ . ]" 1 249 1 14 C H5' 1 14 C H6 6.000 . 6.000 3.770 3.527 3.895 . 0 0 "[ . ]" 1 250 1 14 C H5'' 1 14 C H6 6.000 . 6.000 3.910 3.834 4.051 . 0 0 "[ . ]" 1 251 1 15 C H5' 1 15 C H6 6.000 . 6.000 3.881 3.746 3.915 . 0 0 "[ . ]" 1 252 1 15 C H5'' 1 15 C H6 6.000 . 6.000 3.750 3.578 3.863 . 0 0 "[ . ]" 1 253 1 16 C H5' 1 17 C H6 7.000 . 7.000 7.028 6.988 7.050 0.050 1 0 "[ . ]" 1 254 1 16 C H5'' 1 17 C H6 7.000 . 7.000 6.354 5.869 6.832 . 0 0 "[ . ]" 1 255 1 17 C H5' 1 17 C H6 6.000 . 6.000 4.012 3.858 4.186 . 0 0 "[ . ]" 1 256 1 17 C H5'' 1 17 C H6 6.000 . 6.000 2.863 2.463 3.923 . 0 0 "[ . ]" 1 257 1 4 G H1' 1 5 A H1' 7.000 . 7.000 5.111 4.688 5.463 . 0 0 "[ . ]" 1 258 1 5 A H2' 1 6 U H5 6.000 . 6.000 4.954 4.755 5.262 . 0 0 "[ . ]" 1 259 1 5 A H3' 1 6 U H5 7.000 . 7.000 4.690 4.416 4.984 . 0 0 "[ . ]" 1 260 1 5 A H1' 1 6 U H5 7.000 . 7.000 6.697 6.530 6.824 . 0 0 "[ . ]" 1 261 1 5 A H1' 1 6 U H1' 7.000 . 7.000 5.146 4.869 5.414 . 0 0 "[ . ]" 1 262 1 6 U H2' 1 6 U H5 6.000 . 6.000 5.661 5.610 5.741 . 0 0 "[ . ]" 1 263 1 6 U H5 1 7 U H5 6.000 . 6.000 5.434 4.748 6.013 0.013 2 0 "[ . ]" 1 264 1 6 U H2' 1 7 U H5 5.000 . 5.000 3.861 3.720 4.074 . 0 0 "[ . ]" 1 265 1 6 U H2' 1 7 U H1' 5.000 . 5.000 5.061 5.028 5.083 0.083 3 0 "[ . ]" 1 266 1 6 U H3' 1 6 U H5 7.000 . 7.000 5.393 5.313 5.494 . 0 0 "[ . ]" 1 267 1 6 U H3' 1 7 U H5 6.000 . 6.000 3.529 3.231 3.945 . 0 0 "[ . ]" 1 268 1 7 U H2' 1 7 U H5 6.000 . 6.000 5.465 5.333 5.536 . 0 0 "[ . ]" 1 269 1 7 U H3' 1 7 U H5 7.000 . 7.000 5.570 5.300 6.085 . 0 0 "[ . ]" 1 270 1 8 G H1' 1 9 A H5' 6.000 . 6.000 4.032 3.884 4.166 . 0 0 "[ . ]" 1 271 1 8 G H1' 1 9 A H5'' 6.000 . 6.000 5.676 5.504 5.832 . 0 0 "[ . ]" 1 272 1 9 A H1' 1 10 A H2' 7.000 . 7.000 2.682 2.504 2.836 . 0 0 "[ . ]" 1 273 1 9 A H5' 1 10 A H1' 7.000 . 7.000 6.218 6.040 6.433 . 0 0 "[ . ]" 1 274 1 9 A H5'' 1 10 A H1' 7.000 . 7.000 6.117 5.878 6.529 . 0 0 "[ . ]" 1 275 1 9 A H1' 1 10 A H5'' 8.000 3.000 8.000 2.928 2.907 2.953 0.093 5 0 "[ . ]" 1 276 1 9 A H1' 1 10 A H5' 8.000 3.000 8.000 4.681 4.652 4.703 . 0 0 "[ . ]" 1 277 1 9 A H4' 1 10 A H1' 6.000 . 6.000 4.747 4.617 4.913 . 0 0 "[ . ]" 1 278 1 10 A H1' 1 11 A H1' 6.000 . 6.000 2.887 2.738 3.081 . 0 0 "[ . ]" 1 279 1 10 A H1' 1 11 A H4' 7.000 . 7.000 3.348 3.146 3.588 . 0 0 "[ . ]" 1 280 1 10 A H1' 1 11 A H5' 7.000 . 7.000 4.364 3.326 5.034 . 0 0 "[ . ]" 1 281 1 10 A H1' 1 11 A H5'' 7.000 . 7.000 4.049 3.561 4.603 . 0 0 "[ . ]" 1 282 1 11 A H2' 1 12 A H1' 6.000 . 6.000 4.780 4.447 5.186 . 0 0 "[ . ]" 1 283 1 12 A H2' 1 13 U H1' 6.000 . 6.000 3.602 2.759 4.071 . 0 0 "[ . ]" 1 284 1 12 A H1' 1 13 U H1' 7.000 . 7.000 5.518 4.631 6.151 . 0 0 "[ . ]" 1 285 1 12 A H1' 1 13 U H5 7.000 . 7.000 6.005 5.529 6.395 . 0 0 "[ . ]" 1 286 1 12 A H2' 1 13 U H5 5.000 . 5.000 3.903 3.461 4.680 . 0 0 "[ . ]" 1 287 1 12 A H3' 1 13 U H5 7.000 . 7.000 3.690 3.010 4.567 . 0 0 "[ . ]" 1 288 1 13 U H5 1 14 C H5 6.000 . 6.000 4.826 4.472 5.594 . 0 0 "[ . ]" 1 289 1 16 C H1' 1 17 C H2' 7.000 . 7.000 7.065 7.029 7.114 0.114 6 0 "[ . ]" 1 290 1 16 C H2' 1 17 C H1' 7.000 . 7.000 3.444 2.999 3.785 . 0 0 "[ . ]" 1 291 1 7 U H2' 1 8 G H5'' 6.000 . 6.000 4.218 2.855 4.758 . 0 0 "[ . ]" 1 292 1 7 U H2' 1 8 G H5' 6.000 . 6.000 3.921 3.729 4.339 . 0 0 "[ . ]" 1 293 1 9 A H4' 1 10 A H5' 6.000 . 6.000 4.407 4.307 4.652 . 0 0 "[ . ]" 1 294 1 9 A H4' 1 10 A H5'' 6.000 . 6.000 3.269 3.165 3.459 . 0 0 "[ . ]" 1 stop_ save_ save_distance_constraint_statistics_2 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 2 _Distance_constraint_stats_list.Constraint_count 36 _Distance_constraint_stats_list.Viol_count 122 _Distance_constraint_stats_list.Viol_total 25.597 _Distance_constraint_stats_list.Viol_max 0.107 _Distance_constraint_stats_list.Viol_rms 0.0183 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0111 _Distance_constraint_stats_list.Viol_average_violations_only 0.0262 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 1 G 0.452 0.040 8 0 "[ . ]" 1 2 G 0.517 0.091 7 0 "[ . ]" 1 3 G 0.467 0.107 8 0 "[ . ]" 1 4 G 0.371 0.084 7 0 "[ . ]" 1 5 A 0.223 0.045 8 0 "[ . ]" 1 6 U 0.393 0.063 6 0 "[ . ]" 1 7 U 0.777 0.062 5 0 "[ . ]" 1 11 A 0.777 0.062 5 0 "[ . ]" 1 12 A 0.393 0.063 6 0 "[ . ]" 1 13 U 0.223 0.045 8 0 "[ . ]" 1 14 C 0.371 0.084 7 0 "[ . ]" 1 15 C 0.467 0.107 8 0 "[ . ]" 1 16 C 0.517 0.091 7 0 "[ . ]" 1 17 C 0.452 0.040 8 0 "[ . ]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 1 G O6 1 17 C H41 2.000 . 2.200 2.212 2.152 2.233 0.033 8 0 "[ . ]" 2 2 1 1 G O6 1 17 C N4 2.900 2.600 3.200 3.061 2.853 3.205 0.005 1 0 "[ . ]" 2 3 1 1 G H1 1 17 C N3 2.000 . 2.200 2.215 2.191 2.232 0.032 5 0 "[ . ]" 2 4 1 1 G N1 1 17 C N3 2.900 2.600 3.200 3.150 3.035 3.198 . 0 0 "[ . ]" 2 5 1 1 G H21 1 17 C O2 2.000 . 2.200 2.219 2.200 2.240 0.040 8 0 "[ . ]" 2 6 1 1 G N2 1 17 C O2 2.900 2.600 3.200 3.177 3.119 3.210 0.010 4 0 "[ . ]" 2 7 1 2 G O6 1 16 C H41 2.000 . 2.200 2.177 2.063 2.234 0.034 7 0 "[ . ]" 2 8 1 2 G O6 1 16 C N4 2.900 2.600 3.200 3.110 2.943 3.216 0.016 1 0 "[ . ]" 2 9 1 2 G H1 1 16 C N3 2.000 . 2.200 2.106 1.863 2.214 0.014 2 0 "[ . ]" 2 10 1 2 G N1 1 16 C N3 2.900 2.600 3.200 3.092 2.861 3.203 0.003 2 0 "[ . ]" 2 11 1 2 G H21 1 16 C O2 2.000 . 2.200 2.218 2.081 2.291 0.091 7 0 "[ . ]" 2 12 1 2 G N2 1 16 C O2 2.900 2.600 3.200 3.152 3.061 3.221 0.021 5 0 "[ . ]" 2 13 1 3 G O6 1 15 C H41 2.000 . 2.200 2.192 2.125 2.238 0.038 7 0 "[ . ]" 2 14 1 3 G O6 1 15 C N4 2.900 2.600 3.200 3.070 2.737 3.165 . 0 0 "[ . ]" 2 15 1 3 G H1 1 15 C N3 2.000 . 2.200 2.152 1.936 2.230 0.030 6 0 "[ . ]" 2 16 1 3 G N1 1 15 C N3 2.900 2.600 3.200 3.126 2.926 3.217 0.017 1 0 "[ . ]" 2 17 1 3 G H21 1 15 C O2 2.000 . 2.200 2.213 2.142 2.307 0.107 8 0 "[ . ]" 2 18 1 3 G N2 1 15 C O2 2.900 2.600 3.200 3.153 3.038 3.203 0.003 4 0 "[ . ]" 2 19 1 4 G O6 1 14 C H41 2.000 . 2.200 2.164 1.957 2.233 0.033 3 0 "[ . ]" 2 20 1 4 G O6 1 14 C N4 2.900 2.600 3.200 3.070 2.859 3.184 . 0 0 "[ . ]" 2 21 1 4 G H1 1 14 C N3 2.000 . 2.200 2.206 2.111 2.229 0.029 2 0 "[ . ]" 2 22 1 4 G N1 1 14 C N3 2.900 2.600 3.200 3.157 3.098 3.193 . 0 0 "[ . ]" 2 23 1 4 G H21 1 14 C O2 2.000 . 2.200 2.198 2.059 2.284 0.084 7 0 "[ . ]" 2 24 1 4 G N2 1 14 C O2 2.900 2.600 3.200 3.114 2.935 3.209 0.009 7 0 "[ . ]" 2 25 1 5 A H61 1 13 U O4 2.000 . 2.200 2.168 2.043 2.237 0.037 7 0 "[ . ]" 2 26 1 5 A N6 1 13 U O4 2.900 2.600 3.200 3.131 3.017 3.201 0.001 7 0 "[ . ]" 2 27 1 5 A N1 1 13 U H3 2.000 . 2.200 2.187 2.046 2.245 0.045 8 0 "[ . ]" 2 28 1 5 A N1 1 13 U N3 2.900 2.600 3.200 3.036 2.935 3.161 . 0 0 "[ . ]" 2 29 1 6 U O4 1 12 A H61 2.000 . 2.200 2.229 2.211 2.263 0.063 6 0 "[ . ]" 2 30 1 6 U O4 1 12 A N6 2.900 2.600 3.200 3.217 3.205 3.232 0.032 8 0 "[ . ]" 2 31 1 6 U H3 1 12 A N1 2.000 . 2.200 2.137 2.020 2.218 0.018 5 0 "[ . ]" 2 32 1 6 U N3 1 12 A N1 2.900 2.600 3.200 3.023 2.963 3.095 . 0 0 "[ . ]" 2 33 1 7 U O4 1 11 A H61 2.000 . 3.200 3.250 3.243 3.262 0.062 5 0 "[ . ]" 2 34 1 7 U O4 1 11 A N6 2.900 2.600 4.200 4.247 4.242 4.256 0.056 6 0 "[ . ]" 2 35 1 7 U H3 1 11 A N1 2.000 . 3.200 3.042 2.970 3.153 . 0 0 "[ . ]" 2 36 1 7 U N3 1 11 A N1 2.900 2.600 4.200 3.188 3.142 3.230 . 0 0 "[ . ]" 2 stop_ save_
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