NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
577787 | 2mlh | 19343 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mlh 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 3 _Distance_constraint_stats_list.Viol_count 0 _Distance_constraint_stats_list.Viol_total 0.000 _Distance_constraint_stats_list.Viol_max 0.000 _Distance_constraint_stats_list.Viol_rms 0.0000 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0000 _Distance_constraint_stats_list.Viol_average_violations_only 0.0000 _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 8 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 10 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 12 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 57 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 61 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 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 8 GLY H 1 61 ASP H 3.500 . 5.000 3.240 2.573 4.184 . 0 0 "[ . 1 . 2]" 1 2 1 10 TYR H 1 59 GLY H 3.500 . 5.000 3.513 2.938 3.957 . 0 0 "[ . 1 . 2]" 1 3 1 12 GLN H 1 57 SER H 3.500 . 5.000 3.672 2.889 4.118 . 0 0 "[ . 1 . 2]" 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 4 _Distance_constraint_stats_list.Viol_count 31 _Distance_constraint_stats_list.Viol_total 61.097 _Distance_constraint_stats_list.Viol_max 0.243 _Distance_constraint_stats_list.Viol_rms 0.0650 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0382 _Distance_constraint_stats_list.Viol_average_violations_only 0.0985 _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 65 TRP 0.000 0.000 . 0 "[ . 1 . 2]" 1 66 ARG 1.257 0.231 15 0 "[ . 1 . 2]" 1 68 ALA 1.123 0.243 19 0 "[ . 1 . 2]" 1 70 ASP 0.674 0.152 18 0 "[ . 1 . 2]" 1 118 GLY 0.674 0.152 18 0 "[ . 1 . 2]" 1 120 SER 1.123 0.243 19 0 "[ . 1 . 2]" 1 122 ILE 1.257 0.231 15 0 "[ . 1 . 2]" 1 124 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 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 65 TRP H 1 124 ASP H 4.000 . 6.500 4.429 3.425 5.306 . 0 0 "[ . 1 . 2]" 2 2 1 66 ARG H 1 122 ILE H 3.000 2.500 3.500 3.423 2.838 3.731 0.231 15 0 "[ . 1 . 2]" 2 3 1 68 ALA H 1 120 SER H 3.000 2.500 3.500 3.429 2.864 3.743 0.243 19 0 "[ . 1 . 2]" 2 4 1 70 ASP H 1 118 GLY H 3.000 2.500 3.500 3.432 2.734 3.652 0.152 18 0 "[ . 1 . 2]" 2 stop_ save_ save_distance_constraint_statistics_3 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 3 _Distance_constraint_stats_list.Constraint_count 4 _Distance_constraint_stats_list.Viol_count 23 _Distance_constraint_stats_list.Viol_total 49.116 _Distance_constraint_stats_list.Viol_max 0.265 _Distance_constraint_stats_list.Viol_rms 0.0628 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0307 _Distance_constraint_stats_list.Viol_average_violations_only 0.1068 _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 1 205 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 207 THR 0.955 0.265 12 0 "[ . 1 . 2]" 1 209 ASP 0.557 0.234 3 0 "[ . 1 . 2]" 1 211 GLY 0.944 0.175 11 0 "[ . 1 . 2]" 1 231 SER 0.944 0.175 11 0 "[ . 1 . 2]" 1 233 GLY 0.557 0.234 3 0 "[ . 1 . 2]" 1 235 ARG 0.955 0.265 12 0 "[ . 1 . 2]" 1 237 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 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 1 205 LYS H 1 237 ARG H 4.000 . 6.500 4.539 4.049 4.941 . 0 0 "[ . 1 . 2]" 3 2 1 207 THR H 1 235 ARG H 3.000 2.500 3.500 3.417 2.964 3.765 0.265 12 0 "[ . 1 . 2]" 3 3 1 209 ASP H 1 233 GLY H 3.000 2.500 3.500 3.284 2.899 3.734 0.234 3 0 "[ . 1 . 2]" 3 4 1 211 GLY H 1 231 SER H 3.000 2.500 3.500 3.288 2.475 3.675 0.175 11 0 "[ . 1 . 2]" 3 stop_ save_ save_distance_constraint_statistics_4 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 4 _Distance_constraint_stats_list.Constraint_count 5 _Distance_constraint_stats_list.Viol_count 44 _Distance_constraint_stats_list.Viol_total 137.431 _Distance_constraint_stats_list.Viol_max 0.347 _Distance_constraint_stats_list.Viol_rms 0.1071 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0687 _Distance_constraint_stats_list.Viol_average_violations_only 0.1562 _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 1 196 ALA 1.764 0.293 2 0 "[ . 1 . 2]" 1 198 VAL 0.050 0.027 13 0 "[ . 1 . 2]" 1 200 PHE 0.060 0.033 8 0 "[ . 1 . 2]" 1 201 ASP 3.248 0.347 4 0 "[ . 1 . 2]" 1 202 ILE 1.750 0.299 5 0 "[ . 1 . 2]" 1 206 LEU 1.750 0.299 5 0 "[ . 1 . 2]" 1 207 THR 3.248 0.347 4 0 "[ . 1 . 2]" 1 208 LEU 0.060 0.033 8 0 "[ . 1 . 2]" 1 210 ALA 0.050 0.027 13 0 "[ . 1 . 2]" 1 212 TYR 1.764 0.293 2 0 "[ . 1 . 2]" 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 1 196 ALA H 1 212 TYR H 3.000 2.500 3.500 3.512 3.054 3.793 0.293 2 0 "[ . 1 . 2]" 4 2 1 198 VAL H 1 210 ALA H 3.000 2.500 3.500 2.810 2.473 3.475 0.027 13 0 "[ . 1 . 2]" 4 3 1 200 PHE H 1 208 LEU H 3.000 2.500 3.500 3.044 2.503 3.533 0.033 8 0 "[ . 1 . 2]" 4 4 1 201 ASP H 1 207 THR H 4.000 . 6.500 6.636 6.279 6.847 0.347 4 0 "[ . 1 . 2]" 4 5 1 202 ILE H 1 206 LEU H 3.000 2.500 3.500 3.485 3.023 3.799 0.299 5 0 "[ . 1 . 2]" 4 stop_ save_ save_distance_constraint_statistics_5 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 5 _Distance_constraint_stats_list.Constraint_count 5 _Distance_constraint_stats_list.Viol_count 33 _Distance_constraint_stats_list.Viol_total 58.688 _Distance_constraint_stats_list.Viol_max 0.247 _Distance_constraint_stats_list.Viol_rms 0.0561 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0293 _Distance_constraint_stats_list.Viol_average_violations_only 0.0889 _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 1 132 LYS 0.180 0.087 12 0 "[ . 1 . 2]" 1 134 TYR 1.246 0.237 4 0 "[ . 1 . 2]" 1 136 GLY 0.082 0.050 1 0 "[ . 1 . 2]" 1 138 ARG 0.161 0.100 6 0 "[ . 1 . 2]" 1 140 ALA 1.265 0.247 19 0 "[ . 1 . 2]" 1 191 GLY 1.265 0.247 19 0 "[ . 1 . 2]" 1 193 GLY 0.161 0.100 6 0 "[ . 1 . 2]" 1 195 ILE 0.082 0.050 1 0 "[ . 1 . 2]" 1 197 GLY 1.246 0.237 4 0 "[ . 1 . 2]" 1 199 GLY 0.180 0.087 12 0 "[ . 1 . 2]" 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 1 132 LYS H 1 199 GLY H 3.000 2.500 3.500 3.351 3.016 3.587 0.087 12 0 "[ . 1 . 2]" 5 2 1 134 TYR H 1 197 GLY H 3.000 2.500 3.500 3.498 3.086 3.737 0.237 4 0 "[ . 1 . 2]" 5 3 1 136 GLY H 1 195 ILE H 3.000 2.500 3.500 3.279 2.808 3.550 0.050 1 0 "[ . 1 . 2]" 5 4 1 138 ARG H 1 193 GLY H 3.000 2.500 3.500 3.203 2.966 3.600 0.100 6 0 "[ . 1 . 2]" 5 5 1 140 ALA H 1 191 GLY H 3.000 2.500 3.500 3.453 2.752 3.747 0.247 19 0 "[ . 1 . 2]" 5 stop_ save_ save_distance_constraint_statistics_6 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 6 _Distance_constraint_stats_list.Constraint_count 71 _Distance_constraint_stats_list.Viol_count 129 _Distance_constraint_stats_list.Viol_total 499.604 _Distance_constraint_stats_list.Viol_max 0.528 _Distance_constraint_stats_list.Viol_rms 0.0709 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0176 _Distance_constraint_stats_list.Viol_average_violations_only 0.1936 _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 6 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 7 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 8 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 11 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 12 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 13 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 14 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 58 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 60 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 61 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 62 PHE 0.289 0.090 16 0 "[ . 1 . 2]" 1 63 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 64 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 65 TRP 0.289 0.090 16 0 "[ . 1 . 2]" 1 66 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 67 ILE 0.000 0.000 . 0 "[ . 1 . 2]" 1 68 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 69 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 70 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 71 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 118 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 119 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 120 SER 0.481 0.200 14 0 "[ . 1 . 2]" 1 121 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 122 ILE 0.481 0.200 14 0 "[ . 1 . 2]" 1 123 TYR 3.310 0.315 15 0 "[ . 1 . 2]" 1 124 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 125 PHE 10.606 0.473 6 0 "[ . 1 . 2]" 1 126 GLN 0.024 0.024 17 0 "[ . 1 . 2]" 1 127 ILE 0.024 0.024 17 0 "[ . 1 . 2]" 1 128 ASN 0.083 0.063 10 0 "[ . 1 . 2]" 1 129 ASP 0.003 0.003 17 0 "[ . 1 . 2]" 1 130 LYS 0.083 0.063 10 0 "[ . 1 . 2]" 1 131 PHE 0.003 0.003 17 0 "[ . 1 . 2]" 1 132 LYS 7.296 0.473 6 0 "[ . 1 . 2]" 1 134 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 135 ILE 0.000 0.000 . 0 "[ . 1 . 2]" 1 136 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 137 ALA 1.913 0.233 5 0 "[ . 1 . 2]" 1 138 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 139 VAL 1.913 0.233 5 0 "[ . 1 . 2]" 1 140 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 190 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 191 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 192 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 193 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 194 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 195 ILE 0.000 0.000 . 0 "[ . 1 . 2]" 1 196 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 197 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 198 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 199 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 200 PHE 0.919 0.137 9 0 "[ . 1 . 2]" 1 201 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 202 ILE 10.739 0.528 19 2 "[ . - . +2]" 1 203 THR 2.937 0.424 17 0 "[ . 1 . 2]" 1 205 LYS 7.054 0.528 19 2 "[ . - . +2]" 1 206 LEU 0.172 0.136 8 0 "[ . 1 . 2]" 1 207 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 208 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 209 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 210 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 211 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 212 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 231 SER 0.669 0.156 20 0 "[ . 1 . 2]" 1 233 GLY 0.669 0.156 20 0 "[ . 1 . 2]" 1 234 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 235 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 236 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 237 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 238 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 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 6 GLY H 1 7 ARG H 3.500 . 5.000 3.315 2.266 4.554 . 0 0 "[ . 1 . 2]" 6 2 1 7 ARG H 1 8 GLY H 3.500 . 5.000 4.549 4.238 4.707 . 0 0 "[ . 1 . 2]" 6 3 1 11 VAL H 1 12 GLN H 4.000 . 6.500 4.452 4.299 4.576 . 0 0 "[ . 1 . 2]" 6 4 1 12 GLN H 1 13 ALA H 3.500 . 5.000 4.398 4.275 4.502 . 0 0 "[ . 1 . 2]" 6 5 1 13 ALA H 1 14 ASP H 3.500 . 5.000 4.284 3.897 4.429 . 0 0 "[ . 1 . 2]" 6 6 1 58 VAL H 1 59 GLY H 3.500 . 5.000 4.446 4.373 4.509 . 0 0 "[ . 1 . 2]" 6 7 1 59 GLY H 1 60 TYR H 3.500 . 5.000 4.350 4.101 4.450 . 0 0 "[ . 1 . 2]" 6 8 1 60 TYR H 1 61 ASP H 3.500 . 5.000 4.483 4.422 4.570 . 0 0 "[ . 1 . 2]" 6 9 1 61 ASP H 1 62 PHE H 3.500 . 5.000 4.306 4.114 4.456 . 0 0 "[ . 1 . 2]" 6 10 1 62 PHE H 1 65 TRP H 3.500 . 5.000 4.496 3.220 5.090 0.090 16 0 "[ . 1 . 2]" 6 11 1 62 PHE H 1 63 GLY H 3.500 . 5.000 4.282 3.961 4.464 . 0 0 "[ . 1 . 2]" 6 12 1 63 GLY H 1 64 GLY H 3.500 . 5.000 4.406 4.046 4.644 . 0 0 "[ . 1 . 2]" 6 13 1 64 GLY H 1 65 TRP H 3.500 . 5.000 3.220 2.224 3.881 . 0 0 "[ . 1 . 2]" 6 14 1 65 TRP H 1 66 ARG H 3.500 . 5.000 4.325 3.339 4.577 . 0 0 "[ . 1 . 2]" 6 15 1 66 ARG H 1 67 ILE H 4.000 . 6.500 4.392 4.212 4.505 . 0 0 "[ . 1 . 2]" 6 16 1 67 ILE H 1 68 ALA H 3.500 . 5.000 4.403 4.223 4.541 . 0 0 "[ . 1 . 2]" 6 17 1 68 ALA H 1 69 ALA H 3.500 . 5.000 4.268 4.042 4.402 . 0 0 "[ . 1 . 2]" 6 18 1 70 ASP H 1 71 TYR H 3.500 . 5.000 4.421 4.247 4.502 . 0 0 "[ . 1 . 2]" 6 19 1 118 GLY H 1 119 LEU H 3.500 . 5.000 4.260 3.783 4.549 . 0 0 "[ . 1 . 2]" 6 20 1 120 SER H 1 121 ALA H 3.500 . 5.000 4.199 3.686 4.418 . 0 0 "[ . 1 . 2]" 6 21 1 120 SER H 1 122 ILE H 4.000 . 6.500 6.243 5.535 6.700 0.200 14 0 "[ . 1 . 2]" 6 22 1 121 ALA H 1 122 ILE H 3.500 . 5.000 4.421 4.292 4.521 . 0 0 "[ . 1 . 2]" 6 23 1 122 ILE H 1 123 TYR H 3.500 . 5.000 4.472 3.966 4.594 . 0 0 "[ . 1 . 2]" 6 24 1 123 TYR H 1 124 ASP H 3.500 . 5.000 4.185 3.831 4.554 . 0 0 "[ . 1 . 2]" 6 25 1 123 TYR H 1 125 PHE H 4.000 . 6.500 6.658 6.374 6.815 0.315 15 0 "[ . 1 . 2]" 6 26 1 124 ASP H 1 125 PHE H 3.500 . 5.000 4.385 4.120 4.551 . 0 0 "[ . 1 . 2]" 6 27 1 125 PHE H 1 126 GLN H 3.500 . 5.000 4.192 3.685 4.584 . 0 0 "[ . 1 . 2]" 6 28 1 125 PHE H 1 132 LYS H 3.500 . 5.000 5.365 5.243 5.473 0.473 6 0 "[ . 1 . 2]" 6 29 1 126 GLN H 1 127 ILE H 3.500 . 5.000 2.980 1.976 4.621 0.024 17 0 "[ . 1 . 2]" 6 30 1 128 ASN H 1 129 ASP H 3.500 . 5.000 3.202 2.063 4.585 . 0 0 "[ . 1 . 2]" 6 31 1 128 ASN H 1 130 LYS H 4.000 . 6.500 5.687 3.691 6.563 0.063 10 0 "[ . 1 . 2]" 6 32 1 128 ASN H 1 131 PHE H 4.000 . 6.500 5.420 4.343 6.227 . 0 0 "[ . 1 . 2]" 6 33 1 129 ASP H 1 131 PHE H 3.500 . 5.000 4.104 2.659 5.003 0.003 17 0 "[ . 1 . 2]" 6 34 1 130 LYS H 1 131 PHE H 3.500 . 5.000 2.402 2.021 2.861 . 0 0 "[ . 1 . 2]" 6 35 1 131 PHE H 1 132 LYS H 4.000 . 6.500 4.240 3.985 4.475 . 0 0 "[ . 1 . 2]" 6 36 1 134 TYR H 1 135 ILE H 3.500 . 5.000 4.457 4.301 4.550 . 0 0 "[ . 1 . 2]" 6 37 1 135 ILE H 1 136 GLY H 3.500 . 5.000 4.387 4.297 4.466 . 0 0 "[ . 1 . 2]" 6 38 1 136 GLY H 1 137 ALA H 3.500 . 5.000 4.385 4.228 4.437 . 0 0 "[ . 1 . 2]" 6 39 1 137 ALA H 1 138 ARG H 3.500 . 5.000 4.434 4.307 4.517 . 0 0 "[ . 1 . 2]" 6 40 1 137 ALA H 1 139 VAL H 4.000 . 6.500 6.589 6.376 6.733 0.233 5 0 "[ . 1 . 2]" 6 41 1 138 ARG H 1 139 VAL H 3.500 . 5.000 4.363 4.225 4.529 . 0 0 "[ . 1 . 2]" 6 42 1 139 VAL H 1 140 ALA H 3.500 . 5.000 4.239 3.974 4.481 . 0 0 "[ . 1 . 2]" 6 43 1 190 VAL H 1 191 GLY H 4.000 . 6.500 4.449 4.115 4.680 . 0 0 "[ . 1 . 2]" 6 44 1 191 GLY H 1 192 LEU H 3.500 . 5.000 4.365 3.973 4.489 . 0 0 "[ . 1 . 2]" 6 45 1 192 LEU H 1 193 GLY H 3.500 . 5.000 4.319 4.150 4.514 . 0 0 "[ . 1 . 2]" 6 46 1 193 GLY H 1 194 VAL H 3.500 . 5.000 4.320 4.093 4.427 . 0 0 "[ . 1 . 2]" 6 47 1 194 VAL H 1 195 ILE H 3.500 . 5.000 4.405 4.309 4.474 . 0 0 "[ . 1 . 2]" 6 48 1 195 ILE H 1 196 ALA H 3.500 . 5.000 4.436 4.298 4.504 . 0 0 "[ . 1 . 2]" 6 49 1 196 ALA H 1 197 GLY H 3.500 . 5.000 4.380 4.246 4.458 . 0 0 "[ . 1 . 2]" 6 50 1 197 GLY H 1 198 VAL H 3.500 . 5.000 4.341 4.151 4.418 . 0 0 "[ . 1 . 2]" 6 51 1 198 VAL H 1 199 GLY H 3.500 . 5.000 4.373 4.283 4.488 . 0 0 "[ . 1 . 2]" 6 52 1 199 GLY H 1 200 PHE H 3.500 . 5.000 4.412 4.256 4.500 . 0 0 "[ . 1 . 2]" 6 53 1 200 PHE H 1 201 ASP H 3.500 . 5.000 4.146 3.866 4.386 . 0 0 "[ . 1 . 2]" 6 54 1 200 PHE H 1 202 ILE H 4.000 . 6.500 6.495 6.116 6.637 0.137 9 0 "[ . 1 . 2]" 6 55 1 201 ASP H 1 202 ILE H 4.000 . 6.500 4.579 4.455 4.640 . 0 0 "[ . 1 . 2]" 6 56 1 202 ILE H 1 203 THR H 3.500 . 5.000 1.934 1.576 2.572 0.424 17 0 "[ . 1 . 2]" 6 57 1 202 ILE H 1 205 LYS H 3.500 . 5.000 5.287 4.368 5.528 0.528 19 2 "[ . - . +2]" 6 58 1 203 THR H 1 205 LYS H 4.000 . 6.500 4.397 3.126 5.156 . 0 0 "[ . 1 . 2]" 6 59 1 203 THR H 1 206 LEU H 4.000 . 6.500 3.091 2.747 3.351 . 0 0 "[ . 1 . 2]" 6 60 1 205 LYS H 1 206 LEU H 3.500 . 5.000 2.413 1.864 2.801 0.136 8 0 "[ . 1 . 2]" 6 61 1 206 LEU H 1 207 THR H 3.500 . 5.000 4.337 4.099 4.598 . 0 0 "[ . 1 . 2]" 6 62 1 207 THR H 1 208 LEU H 3.500 . 5.000 4.426 4.290 4.541 . 0 0 "[ . 1 . 2]" 6 63 1 208 LEU H 1 209 ASP H 3.500 . 5.000 4.409 4.058 4.568 . 0 0 "[ . 1 . 2]" 6 64 1 210 ALA H 1 211 GLY H 3.500 . 5.000 4.316 4.045 4.561 . 0 0 "[ . 1 . 2]" 6 65 1 211 GLY H 1 212 TYR H 3.500 . 5.000 4.378 3.863 4.541 . 0 0 "[ . 1 . 2]" 6 66 1 231 SER H 1 233 GLY H 4.000 . 6.500 6.263 4.655 6.656 0.156 20 0 "[ . 1 . 2]" 6 67 1 233 GLY H 1 234 VAL H 3.500 . 5.000 4.421 4.265 4.548 . 0 0 "[ . 1 . 2]" 6 68 1 234 VAL H 1 235 ARG H 3.500 . 5.000 4.340 4.277 4.423 . 0 0 "[ . 1 . 2]" 6 69 1 235 ARG H 1 236 TYR H 3.500 . 5.000 4.398 4.145 4.520 . 0 0 "[ . 1 . 2]" 6 70 1 236 TYR H 1 237 ARG H 3.500 . 5.000 4.256 3.940 4.488 . 0 0 "[ . 1 . 2]" 6 71 1 237 ARG H 1 238 PHE H 3.500 . 5.000 4.121 3.637 4.373 . 0 0 "[ . 1 . 2]" 6 stop_ save_ save_distance_constraint_statistics_7 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 7 _Distance_constraint_stats_list.Constraint_count 31 _Distance_constraint_stats_list.Viol_count 45 _Distance_constraint_stats_list.Viol_total 91.597 _Distance_constraint_stats_list.Viol_max 0.236 _Distance_constraint_stats_list.Viol_rms 0.0318 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0074 _Distance_constraint_stats_list.Viol_average_violations_only 0.1018 _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 8 GLY 0.161 0.105 6 0 "[ . 1 . 2]" 1 10 TYR 0.223 0.215 17 0 "[ . 1 . 2]" 1 11 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 60 TYR 0.278 0.165 12 0 "[ . 1 . 2]" 1 61 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 62 PHE 0.985 0.228 10 0 "[ . 1 . 2]" 1 63 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 64 GLY 1.050 0.228 10 0 "[ . 1 . 2]" 1 65 TRP 0.342 0.180 3 0 "[ . 1 . 2]" 1 66 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 124 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 125 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 126 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 128 ASN 1.203 0.170 7 0 "[ . 1 . 2]" 1 129 ASP 0.236 0.236 14 0 "[ . 1 . 2]" 1 130 LYS 0.377 0.149 18 0 "[ . 1 . 2]" 1 131 PHE 2.254 0.236 14 0 "[ . 1 . 2]" 1 132 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 134 TYR 0.238 0.198 12 0 "[ . 1 . 2]" 1 135 ILE 0.000 0.000 . 0 "[ . 1 . 2]" 1 196 ALA 0.238 0.198 12 0 "[ . 1 . 2]" 1 197 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 200 PHE 1.192 0.234 5 0 "[ . 1 . 2]" 1 201 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 208 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 236 TYR 0.223 0.215 17 0 "[ . 1 . 2]" 1 237 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 238 PHE 0.161 0.105 6 0 "[ . 1 . 2]" 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 10 TYR H 1 10 TYR QD 4.000 . 6.500 3.317 1.817 4.471 . 0 0 "[ . 1 . 2]" 7 2 1 10 TYR QD 1 11 VAL H 4.000 . 6.500 3.247 2.151 4.226 . 0 0 "[ . 1 . 2]" 7 3 1 10 TYR QD 1 59 GLY H 4.000 . 6.500 4.254 2.752 6.363 . 0 0 "[ . 1 . 2]" 7 4 1 59 GLY H 1 60 TYR QD 4.000 . 6.500 5.409 4.946 6.231 . 0 0 "[ . 1 . 2]" 7 5 1 60 TYR QD 1 61 ASP H 4.000 . 6.500 3.793 2.356 4.204 . 0 0 "[ . 1 . 2]" 7 6 1 60 TYR H 1 62 PHE QD 4.000 . 6.500 5.606 4.603 6.665 0.165 12 0 "[ . 1 . 2]" 7 7 1 61 ASP H 1 62 PHE QD 4.000 . 6.500 4.461 3.986 5.024 . 0 0 "[ . 1 . 2]" 7 8 1 62 PHE QD 1 63 GLY H 4.000 . 6.500 4.119 3.188 4.940 . 0 0 "[ . 1 . 2]" 7 9 1 62 PHE QD 1 64 GLY H 4.000 . 6.500 6.148 4.576 6.728 0.228 10 0 "[ . 1 . 2]" 7 10 1 64 GLY H 1 65 TRP HD1 4.000 . 6.500 5.451 4.281 6.680 0.180 3 0 "[ . 1 . 2]" 7 11 1 65 TRP HD1 1 66 ARG H 4.000 . 6.500 4.720 1.794 6.055 . 0 0 "[ . 1 . 2]" 7 12 1 65 TRP HD1 1 124 ASP H 4.000 . 6.500 5.518 3.331 6.469 . 0 0 "[ . 1 . 2]" 7 13 1 124 ASP H 1 125 PHE QD 4.000 . 6.500 5.166 3.389 6.473 . 0 0 "[ . 1 . 2]" 7 14 1 125 PHE QD 1 126 GLN H 4.000 . 6.500 4.048 2.335 4.855 . 0 0 "[ . 1 . 2]" 7 15 1 128 ASN H 1 131 PHE QD 4.000 . 6.500 6.362 4.613 6.670 0.170 7 0 "[ . 1 . 2]" 7 16 1 129 ASP H 1 131 PHE QD 4.000 . 6.500 5.294 3.658 6.736 0.236 14 0 "[ . 1 . 2]" 7 17 1 130 LYS H 1 131 PHE QD 4.000 . 6.500 3.258 2.002 4.721 . 0 0 "[ . 1 . 2]" 7 18 1 131 PHE QD 1 132 LYS H 4.000 . 6.500 4.317 3.642 4.993 . 0 0 "[ . 1 . 2]" 7 19 1 131 PHE QD 1 200 PHE H 4.000 . 6.500 6.211 5.249 6.734 0.234 5 0 "[ . 1 . 2]" 7 20 1 134 TYR QD 1 135 ILE H 4.000 . 6.500 3.704 1.946 4.408 . 0 0 "[ . 1 . 2]" 7 21 1 134 TYR QD 1 196 ALA H 4.000 . 6.500 5.374 4.129 6.698 0.198 12 0 "[ . 1 . 2]" 7 22 1 134 TYR QD 1 197 GLY H 4.000 . 6.500 3.811 2.853 5.325 . 0 0 "[ . 1 . 2]" 7 23 1 130 LYS H 1 200 PHE QD 4.000 . 6.500 5.987 4.624 6.649 0.149 18 0 "[ . 1 . 2]" 7 24 1 131 PHE H 1 200 PHE QD 4.000 . 6.500 5.186 4.298 6.554 0.054 2 0 "[ . 1 . 2]" 7 25 1 132 LYS H 1 200 PHE QD 4.000 . 6.500 5.939 5.331 6.368 . 0 0 "[ . 1 . 2]" 7 26 1 200 PHE QD 1 201 ASP H 4.000 . 6.500 3.469 2.193 4.766 . 0 0 "[ . 1 . 2]" 7 27 1 200 PHE QD 1 208 LEU H 4.000 . 6.500 4.743 3.553 5.513 . 0 0 "[ . 1 . 2]" 7 28 1 10 TYR H 1 236 TYR QD 4.000 . 6.500 5.761 4.628 6.715 0.215 17 0 "[ . 1 . 2]" 7 29 1 11 VAL H 1 236 TYR QD 4.000 . 6.500 3.183 1.867 3.866 . 0 0 "[ . 1 . 2]" 7 30 1 236 TYR QD 1 237 ARG H 4.000 . 6.500 3.903 3.368 4.335 . 0 0 "[ . 1 . 2]" 7 31 1 8 GLY H 1 238 PHE QD 4.000 . 6.500 5.993 4.959 6.605 0.105 6 0 "[ . 1 . 2]" 7 stop_ save_ save_distance_constraint_statistics_8 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 8 _Distance_constraint_stats_list.Constraint_count 3 _Distance_constraint_stats_list.Viol_count 13 _Distance_constraint_stats_list.Viol_total 42.060 _Distance_constraint_stats_list.Viol_max 0.369 _Distance_constraint_stats_list.Viol_rms 0.0812 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0351 _Distance_constraint_stats_list.Viol_average_violations_only 0.1618 _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 10 TYR 1.932 0.369 5 0 "[ . 1 . 2]" 1 11 VAL 0.171 0.171 20 0 "[ . 1 . 2]" 1 13 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 234 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 236 TYR 0.171 0.171 20 0 "[ . 1 . 2]" 1 238 PHE 1.932 0.369 5 0 "[ . 1 . 2]" 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 10 TYR H 1 238 PHE H 4.000 . 6.500 6.490 5.902 6.869 0.369 5 0 "[ . 1 . 2]" 8 2 1 11 VAL H 1 236 TYR H 3.000 2.500 3.500 3.192 2.764 3.671 0.171 20 0 "[ . 1 . 2]" 8 3 1 13 ALA H 1 234 VAL H 3.500 . 5.000 3.512 2.602 4.151 . 0 0 "[ . 1 . 2]" 8 stop_ save_ save_distance_constraint_statistics_9 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 9 _Distance_constraint_stats_list.Constraint_count 4 _Distance_constraint_stats_list.Viol_count 9 _Distance_constraint_stats_list.Viol_total 11.337 _Distance_constraint_stats_list.Viol_max 0.116 _Distance_constraint_stats_list.Viol_rms 0.0230 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0071 _Distance_constraint_stats_list.Viol_average_violations_only 0.0630 _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 57 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 58 VAL 0.159 0.072 12 0 "[ . 1 . 2]" 1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 60 TYR 0.408 0.116 14 0 "[ . 1 . 2]" 1 67 ILE 0.408 0.116 14 0 "[ . 1 . 2]" 1 69 ALA 0.159 0.072 12 0 "[ . 1 . 2]" 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 57 SER H 1 58 VAL H 3.500 . 5.000 4.356 4.247 4.486 . 0 0 "[ . 1 . 2]" 9 2 1 58 VAL H 1 69 ALA H 3.000 2.500 3.500 3.277 2.956 3.572 0.072 12 0 "[ . 1 . 2]" 9 3 1 59 GLY H 1 69 ALA H 4.000 . 6.500 5.284 4.887 5.599 . 0 0 "[ . 1 . 2]" 9 4 1 60 TYR H 1 67 ILE H 3.000 2.500 3.500 3.287 2.717 3.616 0.116 14 0 "[ . 1 . 2]" 9 stop_ save_ save_distance_constraint_statistics_10 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 10 _Distance_constraint_stats_list.Constraint_count 3 _Distance_constraint_stats_list.Viol_count 15 _Distance_constraint_stats_list.Viol_total 44.879 _Distance_constraint_stats_list.Viol_max 0.266 _Distance_constraint_stats_list.Viol_rms 0.0755 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0374 _Distance_constraint_stats_list.Viol_average_violations_only 0.1496 _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 1 119 LEU 2.244 0.266 3 0 "[ . 1 . 2]" 1 121 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 123 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 135 ILE 0.000 0.000 . 0 "[ . 1 . 2]" 1 137 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 139 VAL 2.244 0.266 3 0 "[ . 1 . 2]" 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 1 119 LEU H 1 139 VAL H 3.000 2.500 3.500 3.561 3.126 3.766 0.266 3 0 "[ . 1 . 2]" 10 2 1 121 ALA H 1 137 ALA H 3.000 2.500 3.500 2.982 2.581 3.448 . 0 0 "[ . 1 . 2]" 10 3 1 123 TYR H 1 135 ILE H 3.500 . 5.000 2.664 2.101 3.182 . 0 0 "[ . 1 . 2]" 10 stop_ save_ save_distance_constraint_statistics_11 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 11 _Distance_constraint_stats_list.Constraint_count 12 _Distance_constraint_stats_list.Viol_count 113 _Distance_constraint_stats_list.Viol_total 226.291 _Distance_constraint_stats_list.Viol_max 0.264 _Distance_constraint_stats_list.Viol_rms 0.0663 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0471 _Distance_constraint_stats_list.Viol_average_violations_only 0.1001 _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 56 VAL 4.608 0.207 9 0 "[ . 1 . 2]" 1 58 VAL 1.166 0.146 7 0 "[ . 1 . 2]" 1 60 TYR 5.541 0.264 7 0 "[ . 1 . 2]" 1 67 ILE 5.541 0.264 7 0 "[ . 1 . 2]" 1 69 ALA 1.166 0.146 7 0 "[ . 1 . 2]" 1 71 TYR 4.608 0.207 9 0 "[ . 1 . 2]" 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 56 VAL O 1 71 TYR N 3.000 2.500 3.500 3.281 2.857 3.457 . 0 0 "[ . 1 . 2]" 11 2 1 56 VAL O 1 71 TYR H 2.000 . 2.500 2.372 1.915 2.613 0.113 18 0 "[ . 1 . 2]" 11 3 1 56 VAL N 1 71 TYR O 3.000 2.500 3.500 3.583 3.474 3.662 0.162 12 0 "[ . 1 . 2]" 11 4 1 56 VAL H 1 71 TYR O 2.000 . 2.500 2.633 2.581 2.707 0.207 9 0 "[ . 1 . 2]" 11 5 1 58 VAL O 1 69 ALA N 3.000 2.500 3.500 3.135 2.807 3.362 . 0 0 "[ . 1 . 2]" 11 6 1 58 VAL O 1 69 ALA H 2.000 . 2.500 2.260 1.905 2.522 0.022 14 0 "[ . 1 . 2]" 11 7 1 58 VAL N 1 69 ALA O 3.000 2.500 3.500 3.385 3.025 3.568 0.068 7 0 "[ . 1 . 2]" 11 8 1 58 VAL H 1 69 ALA O 2.000 . 2.500 2.494 2.105 2.646 0.146 7 0 "[ . 1 . 2]" 11 9 1 60 TYR O 1 67 ILE N 3.000 2.500 3.500 3.574 3.364 3.732 0.232 19 0 "[ . 1 . 2]" 11 10 1 60 TYR O 1 67 ILE H 2.000 . 2.500 2.642 2.524 2.764 0.264 7 0 "[ . 1 . 2]" 11 11 1 60 TYR N 1 67 ILE O 3.000 2.500 3.500 3.329 3.133 3.501 0.001 3 0 "[ . 1 . 2]" 11 12 1 60 TYR H 1 67 ILE O 2.000 . 2.500 2.514 2.285 2.677 0.177 6 0 "[ . 1 . 2]" 11 stop_ save_ save_distance_constraint_statistics_12 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 12 _Distance_constraint_stats_list.Constraint_count 14 _Distance_constraint_stats_list.Viol_count 74 _Distance_constraint_stats_list.Viol_total 159.091 _Distance_constraint_stats_list.Viol_max 0.437 _Distance_constraint_stats_list.Viol_rms 0.0602 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0284 _Distance_constraint_stats_list.Viol_average_violations_only 0.1075 _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 64 GLY 3.450 0.437 9 0 "[ . 1 . 2]" 1 66 ARG 0.271 0.106 4 0 "[ . 1 . 2]" 1 68 ALA 0.453 0.096 13 0 "[ . 1 . 2]" 1 70 ASP 3.780 0.205 9 0 "[ . 1 . 2]" 1 118 GLY 3.780 0.205 9 0 "[ . 1 . 2]" 1 120 SER 0.453 0.096 13 0 "[ . 1 . 2]" 1 122 ILE 0.271 0.106 4 0 "[ . 1 . 2]" 1 124 ASP 3.450 0.437 9 0 "[ . 1 . 2]" 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 64 GLY N 1 124 ASP O 3.000 2.500 3.500 3.308 2.988 3.534 0.034 17 0 "[ . 1 . 2]" 12 2 1 64 GLY H 1 124 ASP O 2.000 . 2.500 2.670 2.581 2.937 0.437 9 0 "[ . 1 . 2]" 12 3 1 66 ARG O 1 122 ILE N 3.000 2.500 3.500 3.106 2.771 3.412 . 0 0 "[ . 1 . 2]" 12 4 1 66 ARG O 1 122 ILE H 2.000 . 2.500 2.239 1.835 2.600 0.100 12 0 "[ . 1 . 2]" 12 5 1 66 ARG N 1 122 ILE O 3.000 2.500 3.500 2.973 2.607 3.477 . 0 0 "[ . 1 . 2]" 12 6 1 66 ARG H 1 122 ILE O 2.000 . 2.500 2.130 1.715 2.606 0.106 4 0 "[ . 1 . 2]" 12 7 1 68 ALA O 1 120 SER N 3.000 2.500 3.500 3.100 2.736 3.417 . 0 0 "[ . 1 . 2]" 12 8 1 68 ALA O 1 120 SER H 2.000 . 2.500 2.223 1.880 2.547 0.047 14 0 "[ . 1 . 2]" 12 9 1 68 ALA N 1 120 SER O 3.000 2.500 3.500 3.268 2.935 3.568 0.068 13 0 "[ . 1 . 2]" 12 10 1 68 ALA H 1 120 SER O 2.000 . 2.500 2.395 2.173 2.596 0.096 13 0 "[ . 1 . 2]" 12 11 1 70 ASP O 1 118 GLY N 3.000 2.500 3.500 3.502 3.301 3.662 0.162 9 0 "[ . 1 . 2]" 12 12 1 70 ASP O 1 118 GLY H 2.000 . 2.500 2.615 2.328 2.705 0.205 9 0 "[ . 1 . 2]" 12 13 1 70 ASP N 1 118 GLY O 3.000 2.500 3.500 3.163 2.642 3.571 0.071 16 0 "[ . 1 . 2]" 12 14 1 70 ASP H 1 118 GLY O 2.000 . 2.500 2.270 1.679 2.605 0.105 16 0 "[ . 1 . 2]" 12 stop_ save_ save_distance_constraint_statistics_13 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 13 _Distance_constraint_stats_list.Constraint_count 16 _Distance_constraint_stats_list.Viol_count 117 _Distance_constraint_stats_list.Viol_total 193.422 _Distance_constraint_stats_list.Viol_max 0.260 _Distance_constraint_stats_list.Viol_rms 0.0528 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0302 _Distance_constraint_stats_list.Viol_average_violations_only 0.0827 _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 1 117 LEU 2.273 0.146 3 0 "[ . 1 . 2]" 1 119 LEU 1.549 0.158 9 0 "[ . 1 . 2]" 1 121 ALA 1.688 0.201 7 0 "[ . 1 . 2]" 1 123 TYR 4.161 0.260 15 0 "[ . 1 . 2]" 1 135 ILE 4.161 0.260 15 0 "[ . 1 . 2]" 1 137 ALA 1.688 0.201 7 0 "[ . 1 . 2]" 1 139 VAL 1.549 0.158 9 0 "[ . 1 . 2]" 1 141 TYR 2.273 0.146 3 0 "[ . 1 . 2]" 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 1 117 LEU O 1 141 TYR N 3.000 2.500 3.500 3.200 2.833 3.563 0.063 17 0 "[ . 1 . 2]" 13 2 1 117 LEU O 1 141 TYR H 2.000 . 2.500 2.274 1.908 2.634 0.134 17 0 "[ . 1 . 2]" 13 3 1 117 LEU N 1 141 TYR O 3.000 2.500 3.500 3.344 2.557 3.566 0.066 12 0 "[ . 1 . 2]" 13 4 1 117 LEU H 1 141 TYR O 2.000 . 2.500 2.484 1.777 2.646 0.146 3 0 "[ . 1 . 2]" 13 5 1 119 LEU O 1 139 VAL N 3.000 2.500 3.500 3.331 2.914 3.564 0.064 17 0 "[ . 1 . 2]" 13 6 1 119 LEU O 1 139 VAL H 2.000 . 2.500 2.402 1.980 2.615 0.115 17 0 "[ . 1 . 2]" 13 7 1 119 LEU N 1 139 VAL O 3.000 2.500 3.500 3.352 3.085 3.596 0.096 9 0 "[ . 1 . 2]" 13 8 1 119 LEU H 1 139 VAL O 2.000 . 2.500 2.457 2.110 2.658 0.158 9 0 "[ . 1 . 2]" 13 9 1 121 ALA O 1 137 ALA N 3.000 2.500 3.500 3.240 2.924 3.516 0.016 7 0 "[ . 1 . 2]" 13 10 1 121 ALA O 1 137 ALA H 2.000 . 2.500 2.443 2.095 2.701 0.201 7 0 "[ . 1 . 2]" 13 11 1 121 ALA N 1 137 ALA O 3.000 2.500 3.500 3.339 2.965 3.540 0.040 14 0 "[ . 1 . 2]" 13 12 1 121 ALA H 1 137 ALA O 2.000 . 2.500 2.495 2.104 2.628 0.128 14 0 "[ . 1 . 2]" 13 13 1 123 TYR O 1 135 ILE N 3.000 2.500 3.500 3.545 3.443 3.621 0.121 15 0 "[ . 1 . 2]" 13 14 1 123 TYR O 1 135 ILE H 2.000 . 2.500 2.659 2.560 2.760 0.260 15 0 "[ . 1 . 2]" 13 15 1 123 TYR N 1 135 ILE O 3.000 2.500 3.500 2.843 2.560 3.161 . 0 0 "[ . 1 . 2]" 13 16 1 123 TYR H 1 135 ILE O 2.000 . 2.500 2.074 1.784 2.407 . 0 0 "[ . 1 . 2]" 13 stop_ save_ save_distance_constraint_statistics_14 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 14 _Distance_constraint_stats_list.Constraint_count 12 _Distance_constraint_stats_list.Viol_count 76 _Distance_constraint_stats_list.Viol_total 143.905 _Distance_constraint_stats_list.Viol_max 0.251 _Distance_constraint_stats_list.Viol_rms 0.0544 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0300 _Distance_constraint_stats_list.Viol_average_violations_only 0.0947 _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 8 GLY 2.847 0.251 6 0 "[ . 1 . 2]" 1 10 TYR 1.310 0.158 5 0 "[ . 1 . 2]" 1 12 GLN 3.038 0.207 7 0 "[ . 1 . 2]" 1 57 SER 3.038 0.207 7 0 "[ . 1 . 2]" 1 59 GLY 1.310 0.158 5 0 "[ . 1 . 2]" 1 61 ASP 2.847 0.251 6 0 "[ . 1 . 2]" 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 8 GLY O 1 61 ASP N 3.000 2.500 3.500 2.912 2.608 3.406 . 0 0 "[ . 1 . 2]" 14 2 1 8 GLY O 1 61 ASP H 2.000 . 2.500 2.025 1.686 2.543 0.043 6 0 "[ . 1 . 2]" 14 3 1 8 GLY N 1 61 ASP O 3.000 2.500 3.500 3.404 2.806 3.594 0.094 19 0 "[ . 1 . 2]" 14 4 1 8 GLY H 1 61 ASP O 2.000 . 2.500 2.611 2.418 2.751 0.251 6 0 "[ . 1 . 2]" 14 5 1 10 TYR O 1 59 GLY N 3.000 2.500 3.500 3.329 2.836 3.598 0.098 5 0 "[ . 1 . 2]" 14 6 1 10 TYR O 1 59 GLY H 2.000 . 2.500 2.371 1.921 2.633 0.133 5 0 "[ . 1 . 2]" 14 7 1 10 TYR N 1 59 GLY O 3.000 2.500 3.500 3.151 2.890 3.548 0.048 5 0 "[ . 1 . 2]" 14 8 1 10 TYR H 1 59 GLY O 2.000 . 2.500 2.368 2.008 2.658 0.158 5 0 "[ . 1 . 2]" 14 9 1 12 GLN O 1 57 SER N 3.000 2.500 3.500 3.498 3.322 3.695 0.195 7 0 "[ . 1 . 2]" 14 10 1 12 GLN O 1 57 SER H 2.000 . 2.500 2.590 2.372 2.707 0.207 7 0 "[ . 1 . 2]" 14 11 1 12 GLN N 1 57 SER O 3.000 2.500 3.500 3.025 2.773 3.324 . 0 0 "[ . 1 . 2]" 14 12 1 12 GLN H 1 57 SER O 2.000 . 2.500 2.176 1.854 2.514 0.014 3 0 "[ . 1 . 2]" 14 stop_ save_ save_distance_constraint_statistics_15 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 15 _Distance_constraint_stats_list.Constraint_count 8 _Distance_constraint_stats_list.Viol_count 57 _Distance_constraint_stats_list.Viol_total 99.419 _Distance_constraint_stats_list.Viol_max 0.334 _Distance_constraint_stats_list.Viol_rms 0.0601 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0311 _Distance_constraint_stats_list.Viol_average_violations_only 0.0872 _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 11 VAL 3.771 0.334 8 0 "[ . 1 . 2]" 1 13 ALA 1.200 0.180 7 0 "[ . 1 . 2]" 1 234 VAL 1.200 0.180 7 0 "[ . 1 . 2]" 1 236 TYR 3.771 0.334 8 0 "[ . 1 . 2]" 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 11 VAL O 1 236 TYR N 3.000 2.500 3.500 3.200 2.696 3.515 0.015 9 0 "[ . 1 . 2]" 15 2 1 11 VAL O 1 236 TYR H 2.000 . 2.500 2.252 1.735 2.576 0.076 7 0 "[ . 1 . 2]" 15 3 1 11 VAL N 1 236 TYR O 3.000 2.500 3.500 3.522 3.283 3.713 0.213 2 0 "[ . 1 . 2]" 15 4 1 11 VAL H 1 236 TYR O 2.000 . 2.500 2.606 2.343 2.834 0.334 8 0 "[ . 1 . 2]" 15 5 1 13 ALA O 1 234 VAL N 3.000 2.500 3.500 3.167 2.686 3.519 0.019 1 0 "[ . 1 . 2]" 15 6 1 13 ALA O 1 234 VAL H 2.000 . 2.500 2.256 1.863 2.538 0.038 1 0 "[ . 1 . 2]" 15 7 1 13 ALA N 1 234 VAL O 3.000 2.500 3.500 3.326 2.845 3.592 0.092 7 0 "[ . 1 . 2]" 15 8 1 13 ALA H 1 234 VAL O 2.000 . 2.500 2.442 1.910 2.680 0.180 7 0 "[ . 1 . 2]" 15 stop_ save_ save_distance_constraint_statistics_16 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 16 _Distance_constraint_stats_list.Constraint_count 22 _Distance_constraint_stats_list.Viol_count 108 _Distance_constraint_stats_list.Viol_total 187.173 _Distance_constraint_stats_list.Viol_max 0.341 _Distance_constraint_stats_list.Viol_rms 0.0493 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0213 _Distance_constraint_stats_list.Viol_average_violations_only 0.0867 _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 1 130 LYS 0.557 0.176 11 0 "[ . 1 . 2]" 1 132 LYS 5.956 0.341 14 0 "[ . 1 . 2]" 1 134 TYR 0.102 0.091 2 0 "[ . 1 . 2]" 1 136 GLY 0.534 0.125 4 0 "[ . 1 . 2]" 1 138 ARG 0.375 0.082 3 0 "[ . 1 . 2]" 1 140 ALA 1.834 0.169 20 0 "[ . 1 . 2]" 1 191 GLY 1.834 0.169 20 0 "[ . 1 . 2]" 1 193 GLY 0.375 0.082 3 0 "[ . 1 . 2]" 1 195 ILE 0.534 0.125 4 0 "[ . 1 . 2]" 1 197 GLY 0.102 0.091 2 0 "[ . 1 . 2]" 1 199 GLY 5.956 0.341 14 0 "[ . 1 . 2]" 1 201 ASP 0.557 0.176 11 0 "[ . 1 . 2]" 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 1 130 LYS O 1 201 ASP N 3.000 2.500 3.500 3.232 2.705 3.564 0.064 14 0 "[ . 1 . 2]" 16 2 1 130 LYS O 1 201 ASP H 2.000 . 2.500 2.336 1.871 2.676 0.176 11 0 "[ . 1 . 2]" 16 3 1 132 LYS O 1 199 GLY N 3.000 2.500 3.500 3.539 3.335 3.650 0.150 17 0 "[ . 1 . 2]" 16 4 1 132 LYS O 1 199 GLY H 2.000 . 2.500 2.582 2.382 2.680 0.180 20 0 "[ . 1 . 2]" 16 5 1 132 LYS N 1 199 GLY O 3.000 2.500 3.500 3.402 3.000 3.537 0.037 3 0 "[ . 1 . 2]" 16 6 1 132 LYS H 1 199 GLY O 2.000 . 2.500 2.601 2.119 2.841 0.341 14 0 "[ . 1 . 2]" 16 7 1 134 TYR O 1 197 GLY N 3.000 2.500 3.500 3.103 2.740 3.471 . 0 0 "[ . 1 . 2]" 16 8 1 134 TYR O 1 197 GLY H 2.000 . 2.500 2.254 1.787 2.591 0.091 2 0 "[ . 1 . 2]" 16 9 1 134 TYR N 1 197 GLY O 3.000 2.500 3.500 2.752 2.555 2.921 . 0 0 "[ . 1 . 2]" 16 10 1 134 TYR H 1 197 GLY O 2.000 . 2.500 1.962 1.708 2.267 . 0 0 "[ . 1 . 2]" 16 11 1 136 GLY O 1 195 ILE N 3.000 2.500 3.500 3.296 2.833 3.558 0.058 1 0 "[ . 1 . 2]" 16 12 1 136 GLY O 1 195 ILE H 2.000 . 2.500 2.376 1.888 2.625 0.125 4 0 "[ . 1 . 2]" 16 13 1 136 GLY N 1 195 ILE O 3.000 2.500 3.500 3.052 2.670 3.254 . 0 0 "[ . 1 . 2]" 16 14 1 136 GLY H 1 195 ILE O 2.000 . 2.500 2.276 1.866 2.543 0.043 20 0 "[ . 1 . 2]" 16 15 1 138 ARG O 1 193 GLY N 3.000 2.500 3.500 3.150 2.524 3.520 0.020 4 0 "[ . 1 . 2]" 16 16 1 138 ARG O 1 193 GLY H 2.000 . 2.500 2.260 1.788 2.582 0.082 3 0 "[ . 1 . 2]" 16 17 1 138 ARG N 1 193 GLY O 3.000 2.500 3.500 2.881 2.709 3.481 . 0 0 "[ . 1 . 2]" 16 18 1 138 ARG H 1 193 GLY O 2.000 . 2.500 1.971 1.779 2.545 0.045 18 0 "[ . 1 . 2]" 16 19 1 140 ALA O 1 191 GLY N 3.000 2.500 3.500 3.478 3.137 3.605 0.105 20 0 "[ . 1 . 2]" 16 20 1 140 ALA O 1 191 GLY H 2.000 . 2.500 2.519 2.209 2.669 0.169 20 0 "[ . 1 . 2]" 16 21 1 140 ALA N 1 191 GLY O 3.000 2.500 3.500 3.081 2.656 3.398 . 0 0 "[ . 1 . 2]" 16 22 1 140 ALA H 1 191 GLY O 2.000 . 2.500 2.165 1.695 2.492 . 0 0 "[ . 1 . 2]" 16 stop_ save_ save_distance_constraint_statistics_17 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 17 _Distance_constraint_stats_list.Constraint_count 16 _Distance_constraint_stats_list.Viol_count 107 _Distance_constraint_stats_list.Viol_total 334.790 _Distance_constraint_stats_list.Viol_max 0.661 _Distance_constraint_stats_list.Viol_rms 0.1215 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0523 _Distance_constraint_stats_list.Viol_average_violations_only 0.1564 _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 1 205 LYS 11.984 0.661 4 7 "[ +* * -1 *** 2]" 1 207 THR 2.993 0.313 4 0 "[ . 1 . 2]" 1 209 ASP 0.483 0.082 13 0 "[ . 1 . 2]" 1 211 GLY 1.279 0.139 6 0 "[ . 1 . 2]" 1 231 SER 1.279 0.139 6 0 "[ . 1 . 2]" 1 233 GLY 0.483 0.082 13 0 "[ . 1 . 2]" 1 235 ARG 2.993 0.313 4 0 "[ . 1 . 2]" 1 237 ARG 11.984 0.661 4 7 "[ +* * -1 *** 2]" 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 1 205 LYS O 1 237 ARG N 3.000 2.500 3.500 3.423 2.974 3.579 0.079 15 0 "[ . 1 . 2]" 17 2 1 205 LYS O 1 237 ARG H 2.000 . 2.500 2.656 2.152 2.933 0.433 15 0 "[ . 1 . 2]" 17 3 1 205 LYS N 1 237 ARG O 3.000 2.500 3.500 2.934 2.453 3.451 0.047 8 0 "[ . 1 . 2]" 17 4 1 205 LYS H 1 237 ARG O 2.000 . 2.500 2.901 2.558 3.161 0.661 4 7 "[ +* * -1 *** 2]" 17 5 1 207 THR O 1 235 ARG N 3.000 2.500 3.500 3.346 2.972 3.615 0.115 1 0 "[ . 1 . 2]" 17 6 1 207 THR O 1 235 ARG H 2.000 . 2.500 2.419 2.131 2.665 0.165 1 0 "[ . 1 . 2]" 17 7 1 207 THR N 1 235 ARG O 3.000 2.500 3.500 3.312 2.891 3.675 0.175 7 0 "[ . 1 . 2]" 17 8 1 207 THR H 1 235 ARG O 2.000 . 2.500 2.472 1.968 2.813 0.313 4 0 "[ . 1 . 2]" 17 9 1 209 ASP O 1 233 GLY N 3.000 2.500 3.500 3.116 2.589 3.560 0.060 13 0 "[ . 1 . 2]" 17 10 1 209 ASP O 1 233 GLY H 2.000 . 2.500 2.200 1.653 2.582 0.082 13 0 "[ . 1 . 2]" 17 11 1 209 ASP N 1 233 GLY O 3.000 2.500 3.500 2.932 2.588 3.318 . 0 0 "[ . 1 . 2]" 17 12 1 209 ASP H 1 233 GLY O 2.000 . 2.500 2.075 1.713 2.386 . 0 0 "[ . 1 . 2]" 17 13 1 211 GLY O 1 231 SER N 3.000 2.500 3.500 3.195 2.479 3.566 0.066 3 0 "[ . 1 . 2]" 17 14 1 211 GLY O 1 231 SER H 2.000 . 2.500 2.430 1.997 2.639 0.139 6 0 "[ . 1 . 2]" 17 15 1 211 GLY N 1 231 SER O 3.000 2.500 3.500 3.211 2.703 3.577 0.077 18 0 "[ . 1 . 2]" 17 16 1 211 GLY H 1 231 SER O 2.000 . 2.500 2.348 1.747 2.598 0.098 18 0 "[ . 1 . 2]" 17 stop_ save_ save_distance_constraint_statistics_18 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 18 _Distance_constraint_stats_list.Constraint_count 16 _Distance_constraint_stats_list.Viol_count 90 _Distance_constraint_stats_list.Viol_total 156.659 _Distance_constraint_stats_list.Viol_max 0.321 _Distance_constraint_stats_list.Viol_rms 0.0524 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0245 _Distance_constraint_stats_list.Viol_average_violations_only 0.0870 _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 1 192 LEU 1.071 0.171 14 0 "[ . 1 . 2]" 1 194 VAL 2.045 0.319 7 0 "[ . 1 . 2]" 1 196 ALA 0.061 0.055 17 0 "[ . 1 . 2]" 1 198 VAL 0.770 0.111 16 0 "[ . 1 . 2]" 1 200 PHE 3.247 0.321 4 0 "[ . 1 . 2]" 1 202 ILE 0.640 0.084 10 0 "[ . 1 . 2]" 1 206 LEU 0.640 0.084 10 0 "[ . 1 . 2]" 1 208 LEU 3.247 0.321 4 0 "[ . 1 . 2]" 1 210 ALA 0.770 0.111 16 0 "[ . 1 . 2]" 1 212 TYR 0.061 0.055 17 0 "[ . 1 . 2]" 1 214 TYR 2.045 0.319 7 0 "[ . 1 . 2]" 1 216 ASN 1.071 0.171 14 0 "[ . 1 . 2]" 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 1 192 LEU O 1 216 ASN N 3.000 2.500 3.500 3.300 2.512 3.602 0.102 14 0 "[ . 1 . 2]" 18 2 1 192 LEU O 1 216 ASN H 2.000 . 2.500 2.486 2.242 2.671 0.171 14 0 "[ . 1 . 2]" 18 3 1 194 VAL O 1 214 TYR N 3.000 2.500 3.500 3.395 2.962 3.656 0.156 11 0 "[ . 1 . 2]" 18 4 1 194 VAL O 1 214 TYR H 2.000 . 2.500 2.511 2.017 2.819 0.319 7 0 "[ . 1 . 2]" 18 5 1 196 ALA O 1 212 TYR N 3.000 2.500 3.500 3.176 2.884 3.449 . 0 0 "[ . 1 . 2]" 18 6 1 196 ALA O 1 212 TYR H 2.000 . 2.500 2.306 1.988 2.555 0.055 17 0 "[ . 1 . 2]" 18 7 1 198 VAL O 1 210 ALA N 3.000 2.500 3.500 3.295 3.056 3.538 0.038 19 0 "[ . 1 . 2]" 18 8 1 198 VAL O 1 210 ALA H 2.000 . 2.500 2.392 2.138 2.611 0.111 16 0 "[ . 1 . 2]" 18 9 1 198 VAL N 1 210 ALA O 3.000 2.500 3.500 3.140 2.829 3.456 . 0 0 "[ . 1 . 2]" 18 10 1 198 VAL H 1 210 ALA O 2.000 . 2.500 2.288 1.929 2.599 0.099 7 0 "[ . 1 . 2]" 18 11 1 200 PHE O 1 208 LEU N 3.000 2.500 3.500 3.375 2.783 3.673 0.173 4 0 "[ . 1 . 2]" 18 12 1 200 PHE O 1 208 LEU H 2.000 . 2.500 2.461 1.810 2.821 0.321 4 0 "[ . 1 . 2]" 18 13 1 200 PHE N 1 208 LEU O 3.000 2.500 3.500 3.369 2.927 3.625 0.125 12 0 "[ . 1 . 2]" 18 14 1 200 PHE H 1 208 LEU O 2.000 . 2.500 2.477 1.981 2.762 0.262 12 0 "[ . 1 . 2]" 18 15 1 202 ILE N 1 206 LEU O 3.000 2.500 3.500 2.719 2.416 3.428 0.084 10 0 "[ . 1 . 2]" 18 16 1 202 ILE H 1 206 LEU O 2.000 . 2.500 1.830 1.455 2.502 0.045 10 0 "[ . 1 . 2]" 18 stop_ save_
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