NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
368609 | 1awx | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1awx 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 263 _Distance_constraint_stats_list.Viol_count 31 _Distance_constraint_stats_list.Viol_total 2.265 _Distance_constraint_stats_list.Viol_max 0.263 _Distance_constraint_stats_list.Viol_rms 0.0320 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0086 _Distance_constraint_stats_list.Viol_average_violations_only 0.0731 _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 5 THR 0.000 0.000 . 0 "[ ]" 1 6 SER 0.059 0.059 1 0 "[ ]" 1 7 GLU 0.059 0.059 1 0 "[ ]" 1 8 LEU 0.000 0.000 . 0 "[ ]" 1 9 LYS 0.000 0.000 . 0 "[ ]" 1 10 LYS 0.000 0.000 . 0 "[ ]" 1 11 VAL 0.000 0.000 . 0 "[ ]" 1 12 VAL 0.000 0.000 . 0 "[ ]" 1 13 ALA 0.000 0.000 . 0 "[ ]" 1 14 LEU 0.008 0.008 1 0 "[ ]" 1 15 TYR 0.044 0.044 1 0 "[ ]" 1 16 ASP 0.044 0.044 1 0 "[ ]" 1 17 TYR 0.049 0.049 1 0 "[ ]" 1 18 MET 0.000 0.000 . 0 "[ ]" 1 19 PRO 0.000 0.000 . 0 "[ ]" 1 20 MET 0.000 0.000 . 0 "[ ]" 1 21 ASN 0.072 0.072 1 0 "[ ]" 1 22 ALA 0.122 0.072 1 0 "[ ]" 1 23 ASN 0.051 0.051 1 0 "[ ]" 1 24 ASP 0.000 0.000 . 0 "[ ]" 1 25 LEU 0.000 0.000 . 0 "[ ]" 1 26 GLN 0.049 0.049 1 0 "[ ]" 1 27 LEU 0.084 0.077 1 0 "[ ]" 1 28 ARG 0.056 0.049 1 0 "[ ]" 1 29 LYS 0.330 0.173 1 0 "[ ]" 1 30 GLY 0.000 0.000 . 0 "[ ]" 1 31 ASP 0.221 0.113 1 0 "[ ]" 1 32 GLU 0.024 0.024 1 0 "[ ]" 1 33 TYR 0.317 0.263 1 0 "[ ]" 1 34 PHE 0.194 0.084 1 0 "[ ]" 1 35 ILE 0.084 0.084 1 0 "[ ]" 1 36 LEU 0.000 0.000 . 0 "[ ]" 1 37 GLU 0.000 0.000 . 0 "[ ]" 1 38 GLU 0.076 0.076 1 0 "[ ]" 1 39 SER 0.000 0.000 . 0 "[ ]" 1 40 ASN 0.000 0.000 . 0 "[ ]" 1 41 LEU 0.000 0.000 . 0 "[ ]" 1 42 PRO 0.000 0.000 . 0 "[ ]" 1 43 TRP 0.095 0.047 1 0 "[ ]" 1 44 TRP 0.154 0.122 1 0 "[ ]" 1 45 ARG 0.000 0.000 . 0 "[ ]" 1 46 ALA 0.149 0.149 1 0 "[ ]" 1 47 ARG 0.000 0.000 . 0 "[ ]" 1 48 ASP 0.163 0.096 1 0 "[ ]" 1 49 LYS 0.019 0.010 1 0 "[ ]" 1 50 ASN 0.170 0.170 1 0 "[ ]" 1 51 GLY 0.010 0.010 1 0 "[ ]" 1 52 GLN 0.026 0.026 1 0 "[ ]" 1 53 GLU 0.000 0.000 . 0 "[ ]" 1 54 GLY 0.149 0.149 1 0 "[ ]" 1 55 TYR 0.000 0.000 . 0 "[ ]" 1 56 ILE 0.000 0.000 . 0 "[ ]" 1 57 PRO 0.000 0.000 . 0 "[ ]" 1 58 SER 0.015 0.015 1 0 "[ ]" 1 59 ASN 0.222 0.204 1 0 "[ ]" 1 60 TYR 0.204 0.204 1 0 "[ ]" 1 61 VAL 0.008 0.008 1 0 "[ ]" 1 62 THR 0.000 0.000 . 0 "[ ]" 1 63 GLU 0.000 0.000 . 0 "[ ]" 1 64 ALA 0.000 0.000 . 0 "[ ]" 1 65 GLU 0.000 0.000 . 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 5 THR HA 1 6 SER H 5.000 . 5.000 3.505 3.505 3.505 . 0 0 "[ ]" 1 2 1 6 SER HA 1 7 GLU H 3.500 . 3.500 3.559 3.559 3.559 0.059 1 0 "[ ]" 1 3 1 6 SER QB 1 7 GLU H 5.000 . 5.700 2.082 2.082 2.082 . 0 0 "[ ]" 1 4 1 7 GLU H 1 8 LEU H 5.000 . 5.000 3.657 3.657 3.657 . 0 0 "[ ]" 1 5 1 7 GLU HA 1 8 LEU H 2.800 . 2.800 2.554 2.554 2.554 . 0 0 "[ ]" 1 6 1 7 GLU QB 1 8 LEU H 5.000 . 5.700 3.937 3.937 3.937 . 0 0 "[ ]" 1 7 1 8 LEU H 1 8 LEU QB 3.500 . 4.200 2.751 2.751 2.751 . 0 0 "[ ]" 1 8 1 8 LEU QB 1 9 LYS H 5.000 . 5.700 3.928 3.928 3.928 . 0 0 "[ ]" 1 9 1 8 LEU QD 1 9 LYS H 5.000 . 6.500 3.584 3.584 3.584 . 0 0 "[ ]" 1 10 1 9 LYS HA 1 10 LYS H 2.800 . 2.800 2.753 2.753 2.753 . 0 0 "[ ]" 1 11 1 9 LYS QG 1 10 LYS H 5.000 . 5.700 3.028 3.028 3.028 . 0 0 "[ ]" 1 12 1 9 LYS H 1 35 ILE H 5.000 . 5.000 4.938 4.938 4.938 . 0 0 "[ ]" 1 13 1 9 LYS H 1 35 ILE HB 3.500 . 3.500 3.404 3.404 3.404 . 0 0 "[ ]" 1 14 1 10 LYS H 1 10 LYS QB 3.500 . 4.200 2.184 2.184 2.184 . 0 0 "[ ]" 1 15 1 10 LYS HA 1 11 VAL H 2.800 . 2.800 2.673 2.673 2.673 . 0 0 "[ ]" 1 16 1 10 LYS QB 1 11 VAL H 5.000 . 5.700 2.080 2.080 2.080 . 0 0 "[ ]" 1 17 1 10 LYS QG 1 11 VAL H 3.500 . 4.200 3.543 3.543 3.543 . 0 0 "[ ]" 1 18 1 10 LYS QG 1 33 TYR H 5.000 . 5.700 4.911 4.911 4.911 . 0 0 "[ ]" 1 19 1 11 VAL HA 1 12 VAL H 2.800 . 2.800 2.364 2.364 2.364 . 0 0 "[ ]" 1 20 1 11 VAL HB 1 12 VAL H 2.800 . 2.800 2.706 2.706 2.706 . 0 0 "[ ]" 1 21 1 11 VAL QG 1 12 VAL H 5.000 . 6.500 3.313 3.313 3.313 . 0 0 "[ ]" 1 22 1 11 VAL H 1 33 TYR H 5.000 . 5.000 2.776 2.776 2.776 . 0 0 "[ ]" 1 23 1 11 VAL QG 1 33 TYR H 3.500 . 5.000 2.440 2.440 2.440 . 0 0 "[ ]" 1 24 1 11 VAL H 1 34 PHE HA 5.000 . 5.000 3.741 3.741 3.741 . 0 0 "[ ]" 1 25 1 11 VAL HB 1 62 THR H 3.500 . 3.500 2.822 2.822 2.822 . 0 0 "[ ]" 1 26 1 11 VAL QG 1 64 ALA H 5.000 . 6.500 3.380 3.380 3.380 . 0 0 "[ ]" 1 27 1 12 VAL H 1 12 VAL HB 3.500 . 3.500 2.039 2.039 2.039 . 0 0 "[ ]" 1 28 1 12 VAL HA 1 13 ALA H 3.500 . 3.500 2.628 2.628 2.628 . 0 0 "[ ]" 1 29 1 12 VAL HB 1 13 ALA H 5.000 . 5.000 3.918 3.918 3.918 . 0 0 "[ ]" 1 30 1 12 VAL MG1 1 30 GLY H 5.000 . 5.400 3.763 3.763 3.763 . 0 0 "[ ]" 1 31 1 12 VAL MG1 1 62 THR H 5.000 . 5.400 3.112 3.112 3.112 . 0 0 "[ ]" 1 32 1 12 VAL MG2 1 62 THR H 5.000 . 5.400 4.592 4.592 4.592 . 0 0 "[ ]" 1 33 1 12 VAL H 1 64 ALA H 5.000 . 5.000 3.703 3.703 3.703 . 0 0 "[ ]" 1 34 1 13 ALA HA 1 14 LEU H 2.800 . 2.800 2.233 2.233 2.233 . 0 0 "[ ]" 1 35 1 13 ALA MB 1 14 LEU H 5.000 . 5.400 3.175 3.175 3.175 . 0 0 "[ ]" 1 36 1 14 LEU H 1 14 LEU HB2 3.500 . 3.500 2.307 2.307 2.307 . 0 0 "[ ]" 1 37 1 14 LEU H 1 14 LEU HG 3.500 . 3.500 2.463 2.463 2.463 . 0 0 "[ ]" 1 38 1 14 LEU HB2 1 15 TYR H 3.500 . 3.500 1.997 1.997 1.997 . 0 0 "[ ]" 1 39 1 14 LEU HG 1 15 TYR H 5.000 . 5.000 4.235 4.235 4.235 . 0 0 "[ ]" 1 40 1 14 LEU QD 1 15 TYR H 5.000 . 6.500 3.645 3.645 3.645 . 0 0 "[ ]" 1 41 1 14 LEU H 1 61 VAL HA 3.500 . 3.500 2.908 2.908 2.908 . 0 0 "[ ]" 1 42 1 14 LEU HG 1 61 VAL H 5.000 . 5.000 5.008 5.008 5.008 0.008 1 0 "[ ]" 1 43 1 14 LEU H 1 15 TYR H 2.800 . 2.800 2.771 2.771 2.771 . 0 0 "[ ]" 1 44 1 15 TYR H 1 15 TYR HB2 3.500 . 3.500 2.402 2.402 2.402 . 0 0 "[ ]" 1 45 1 15 TYR H 1 16 ASP H 5.000 . 5.000 4.557 4.557 4.557 . 0 0 "[ ]" 1 46 1 15 TYR HB2 1 16 ASP H 3.500 . 3.500 3.544 3.544 3.544 0.044 1 0 "[ ]" 1 47 1 15 TYR H 1 29 LYS HA 5.000 . 5.000 4.577 4.577 4.577 . 0 0 "[ ]" 1 48 1 16 ASP H 1 16 ASP HB3 3.500 . 3.500 3.459 3.459 3.459 . 0 0 "[ ]" 1 49 1 16 ASP H 1 16 ASP HB2 2.800 . 2.800 2.100 2.100 2.100 . 0 0 "[ ]" 1 50 1 16 ASP HB3 1 17 TYR H 3.500 . 3.500 2.825 2.825 2.825 . 0 0 "[ ]" 1 51 1 16 ASP H 1 29 LYS QB 3.500 . 4.200 3.452 3.452 3.452 . 0 0 "[ ]" 1 52 1 17 TYR QB 1 18 MET H 5.000 . 5.700 4.069 4.069 4.069 . 0 0 "[ ]" 1 53 1 17 TYR QD 1 18 MET H 5.000 . 7.000 3.321 3.321 3.321 . 0 0 "[ ]" 1 54 1 17 TYR H 1 26 GLN HA 5.000 . 5.000 5.049 5.049 5.049 0.049 1 0 "[ ]" 1 55 1 17 TYR H 1 27 LEU HB2 3.500 . 3.500 3.496 3.496 3.496 . 0 0 "[ ]" 1 56 1 18 MET H 1 18 MET HB3 3.500 . 3.500 3.500 3.500 3.500 . 0 0 "[ ]" 1 57 1 19 PRO HA 1 20 MET H 2.800 . 2.800 2.424 2.424 2.424 . 0 0 "[ ]" 1 58 1 19 PRO QB 1 20 MET H . . 4.200 2.766 2.766 2.766 . 0 0 "[ ]" 1 59 1 19 PRO HA 1 21 ASN H 5.000 . 5.000 4.462 4.462 4.462 . 0 0 "[ ]" 1 60 1 19 PRO QB 1 21 ASN H 5.000 . 5.700 3.786 3.786 3.786 . 0 0 "[ ]" 1 61 1 19 PRO QB 1 24 ASP H 5.000 . 5.700 4.243 4.243 4.243 . 0 0 "[ ]" 1 62 1 20 MET HA 1 21 ASN H 5.000 . 5.000 3.566 3.566 3.566 . 0 0 "[ ]" 1 63 1 20 MET QG 1 21 ASN H 3.500 . 4.200 3.808 3.808 3.808 . 0 0 "[ ]" 1 64 1 21 ASN H 1 21 ASN QB 3.500 . 4.200 2.328 2.328 2.328 . 0 0 "[ ]" 1 65 1 21 ASN HA 1 22 ALA H 3.500 . 3.500 3.572 3.572 3.572 0.072 1 0 "[ ]" 1 66 1 21 ASN QB 1 22 ALA H 5.000 . 5.700 2.322 2.322 2.322 . 0 0 "[ ]" 1 67 1 21 ASN QB 1 23 ASN H 5.000 . 5.700 3.347 3.347 3.347 . 0 0 "[ ]" 1 68 1 21 ASN H 1 24 ASP QB 5.000 . 5.700 3.416 3.416 3.416 . 0 0 "[ ]" 1 69 1 21 ASN QB 1 24 ASP H 5.000 . 5.700 4.496 4.496 4.496 . 0 0 "[ ]" 1 70 1 22 ALA HA 1 23 ASN H 3.500 . 3.500 3.551 3.551 3.551 0.051 1 0 "[ ]" 1 71 1 22 ALA MB 1 23 ASN H 5.000 . 5.400 2.573 2.573 2.573 . 0 0 "[ ]" 1 72 1 22 ALA HA 1 24 ASP H 5.000 . 5.000 4.999 4.999 4.999 . 0 0 "[ ]" 1 73 1 23 ASN HB3 1 24 ASP H 5.000 . 5.000 2.653 2.653 2.653 . 0 0 "[ ]" 1 74 1 24 ASP H 1 24 ASP QB 3.500 . 4.200 2.403 2.403 2.403 . 0 0 "[ ]" 1 75 1 24 ASP H 1 25 LEU H 5.000 . 5.000 4.654 4.654 4.654 . 0 0 "[ ]" 1 76 1 24 ASP HA 1 25 LEU H 2.800 . 2.800 2.245 2.245 2.245 . 0 0 "[ ]" 1 77 1 24 ASP QB 1 25 LEU H 3.500 . 4.200 3.089 3.089 3.089 . 0 0 "[ ]" 1 78 1 25 LEU HA 1 26 GLN H 3.500 . 3.500 2.279 2.279 2.279 . 0 0 "[ ]" 1 79 1 25 LEU QB 1 26 GLN H 5.000 . 5.700 3.628 3.628 3.628 . 0 0 "[ ]" 1 80 1 25 LEU QD 1 26 GLN H 3.500 . 5.000 3.154 3.154 3.154 . 0 0 "[ ]" 1 81 1 25 LEU QD 1 46 ALA H 5.000 . 6.500 3.786 3.786 3.786 . 0 0 "[ ]" 1 82 1 25 LEU H 1 54 GLY QA 5.000 . 5.700 3.200 3.200 3.200 . 0 0 "[ ]" 1 83 1 25 LEU QB 1 54 GLY H 5.000 . 5.700 3.128 3.128 3.128 . 0 0 "[ ]" 1 84 1 25 LEU QD 1 54 GLY H 5.000 . 6.500 2.140 2.140 2.140 . 0 0 "[ ]" 1 85 1 26 GLN HA 1 27 LEU H 2.800 . 2.800 2.363 2.363 2.363 . 0 0 "[ ]" 1 86 1 26 GLN QG 1 27 LEU H 5.000 . 5.700 3.739 3.739 3.739 . 0 0 "[ ]" 1 87 1 27 LEU H 1 27 LEU HG 3.500 . 3.500 3.577 3.577 3.577 0.077 1 0 "[ ]" 1 88 1 27 LEU HA 1 28 ARG H 2.800 . 2.800 2.722 2.722 2.722 . 0 0 "[ ]" 1 89 1 27 LEU HB2 1 28 ARG H 3.500 . 3.500 3.507 3.507 3.507 0.007 1 0 "[ ]" 1 90 1 27 LEU HG 1 28 ARG H 3.500 . 4.200 3.668 3.668 3.668 . 0 0 "[ ]" 1 91 1 27 LEU QD 1 28 ARG H 5.000 . 6.500 3.043 3.043 3.043 . 0 0 "[ ]" 1 92 1 28 ARG H 1 28 ARG QB 3.500 . 4.200 2.815 2.815 2.815 . 0 0 "[ ]" 1 93 1 28 ARG HA 1 29 LYS H 2.800 . 2.800 2.849 2.849 2.849 0.049 1 0 "[ ]" 1 94 1 28 ARG QB 1 29 LYS H 3.500 . 4.200 2.210 2.210 2.210 . 0 0 "[ ]" 1 95 1 28 ARG H 1 31 ASP QB 5.000 . 5.700 3.712 3.712 3.712 . 0 0 "[ ]" 1 96 1 29 LYS H 1 29 LYS HA 2.800 . 2.800 2.973 2.973 2.973 0.173 1 0 "[ ]" 1 97 1 29 LYS H 1 29 LYS QB 3.500 . 4.200 2.363 2.363 2.363 . 0 0 "[ ]" 1 98 1 29 LYS HA 1 30 GLY H 2.800 . 2.800 2.185 2.185 2.185 . 0 0 "[ ]" 1 99 1 29 LYS QB 1 30 GLY H 5.000 . 5.700 3.900 3.900 3.900 . 0 0 "[ ]" 1 100 1 29 LYS QG 1 30 GLY H 3.500 . 4.200 2.948 2.948 2.948 . 0 0 "[ ]" 1 101 1 29 LYS HA 1 31 ASP H 3.500 . 3.500 3.608 3.608 3.608 0.108 1 0 "[ ]" 1 102 1 30 GLY H 1 31 ASP H 3.500 . 3.500 2.733 2.733 2.733 . 0 0 "[ ]" 1 103 1 30 GLY QA 1 31 ASP H 3.500 . 4.200 2.887 2.887 2.887 . 0 0 "[ ]" 1 104 1 31 ASP H 1 31 ASP HA 2.800 . 2.800 2.913 2.913 2.913 0.113 1 0 "[ ]" 1 105 1 31 ASP H 1 31 ASP QB 3.500 . 4.200 2.160 2.160 2.160 . 0 0 "[ ]" 1 106 1 31 ASP HA 1 32 GLU H 2.800 . 2.800 2.456 2.456 2.456 . 0 0 "[ ]" 1 107 1 31 ASP QB 1 32 GLU H 3.500 . 4.200 3.270 3.270 3.270 . 0 0 "[ ]" 1 108 1 32 GLU H 1 32 GLU QG 3.500 . 4.200 3.146 3.146 3.146 . 0 0 "[ ]" 1 109 1 32 GLU HA 1 33 TYR H 2.800 . 2.800 2.447 2.447 2.447 . 0 0 "[ ]" 1 110 1 32 GLU HB2 1 33 TYR H 3.500 . 3.500 3.524 3.524 3.524 0.024 1 0 "[ ]" 1 111 1 32 GLU QG 1 33 TYR H 5.000 . 5.700 4.278 4.278 4.278 . 0 0 "[ ]" 1 112 1 33 TYR H 1 33 TYR HB3 3.500 . 3.500 3.763 3.763 3.763 0.263 1 0 "[ ]" 1 113 1 33 TYR HA 1 34 PHE H 2.800 . 2.800 2.677 2.677 2.677 . 0 0 "[ ]" 1 114 1 33 TYR HB2 1 34 PHE H 2.800 . 2.800 2.831 2.831 2.831 0.031 1 0 "[ ]" 1 115 1 33 TYR QD 1 34 PHE H 5.000 . 7.000 4.078 4.078 4.078 . 0 0 "[ ]" 1 116 1 34 PHE H 1 34 PHE HB3 3.500 . 3.500 3.522 3.522 3.522 0.022 1 0 "[ ]" 1 117 1 34 PHE H 1 34 PHE QD 5.000 . 5.500 3.074 3.074 3.074 . 0 0 "[ ]" 1 118 1 34 PHE HB3 1 35 ILE H 3.500 . 3.500 3.584 3.584 3.584 0.084 1 0 "[ ]" 1 119 1 34 PHE H 1 46 ALA MB 5.000 . 5.400 3.277 3.277 3.277 . 0 0 "[ ]" 1 120 1 34 PHE H 1 47 ARG HB2 5.000 . 5.000 3.884 3.884 3.884 . 0 0 "[ ]" 1 121 1 34 PHE HB2 1 47 ARG H 3.500 . 3.500 3.004 3.004 3.004 . 0 0 "[ ]" 1 122 1 34 PHE H 1 48 ASP HA 3.500 . 3.500 3.557 3.557 3.557 0.057 1 0 "[ ]" 1 123 1 35 ILE H 1 35 ILE HB 2.800 . 2.800 2.416 2.416 2.416 . 0 0 "[ ]" 1 124 1 35 ILE H 1 35 ILE MD 5.000 . 5.400 3.296 3.296 3.296 . 0 0 "[ ]" 1 125 1 35 ILE MD 1 36 LEU H 5.000 . 5.400 3.556 3.556 3.556 . 0 0 "[ ]" 1 126 1 35 ILE H 1 46 ALA MB 5.000 . 5.400 3.676 3.676 3.676 . 0 0 "[ ]" 1 127 1 35 ILE HA 1 47 ARG H 5.000 . 5.000 4.023 4.023 4.023 . 0 0 "[ ]" 1 128 1 36 LEU H 1 36 LEU QB 3.500 . 4.200 2.309 2.309 2.309 . 0 0 "[ ]" 1 129 1 36 LEU H 1 37 GLU H 3.500 . 3.500 1.970 1.970 1.970 . 0 0 "[ ]" 1 130 1 36 LEU QB 1 37 GLU H 3.500 . 4.200 2.899 2.899 2.899 . 0 0 "[ ]" 1 131 1 36 LEU QD 1 37 GLU H 5.000 . 6.500 3.847 3.847 3.847 . 0 0 "[ ]" 1 132 1 36 LEU H 1 46 ALA HA 3.500 . 3.500 2.643 2.643 2.643 . 0 0 "[ ]" 1 133 1 36 LEU QD 1 46 ALA H 5.000 . 6.500 4.261 4.261 4.261 . 0 0 "[ ]" 1 134 1 37 GLU H 1 37 GLU QB 3.500 . 4.200 2.402 2.402 2.402 . 0 0 "[ ]" 1 135 1 37 GLU HA 1 38 GLU H 2.800 . 2.800 2.796 2.796 2.796 . 0 0 "[ ]" 1 136 1 37 GLU QB 1 38 GLU H 5.000 . 5.700 2.312 2.312 2.312 . 0 0 "[ ]" 1 137 1 37 GLU QG 1 38 GLU H . . 4.200 2.027 2.027 2.027 . 0 0 "[ ]" 1 138 1 37 GLU QB 1 45 ARG H 5.000 . 5.700 2.642 2.642 2.642 . 0 0 "[ ]" 1 139 1 38 GLU H 1 38 GLU HB3 3.500 . 3.500 3.576 3.576 3.576 0.076 1 0 "[ ]" 1 140 1 38 GLU HA 1 39 SER H 2.800 . 2.800 2.788 2.788 2.788 . 0 0 "[ ]" 1 141 1 38 GLU HB2 1 39 SER H 5.000 . 5.000 4.462 4.462 4.462 . 0 0 "[ ]" 1 142 1 38 GLU QG 1 39 SER H 5.000 . 5.700 3.626 3.626 3.626 . 0 0 "[ ]" 1 143 1 39 SER HA 1 40 ASN H 3.500 . 3.500 2.675 2.675 2.675 . 0 0 "[ ]" 1 144 1 39 SER HB2 1 40 ASN H 5.000 . 5.000 3.254 3.254 3.254 . 0 0 "[ ]" 1 145 1 39 SER HB3 1 41 LEU H 5.000 . 5.000 3.225 3.225 3.225 . 0 0 "[ ]" 1 146 1 40 ASN H 1 41 LEU H 5.000 . 5.000 2.938 2.938 2.938 . 0 0 "[ ]" 1 147 1 40 ASN HA 1 41 LEU H 5.000 . 5.000 3.108 3.108 3.108 . 0 0 "[ ]" 1 148 1 40 ASN QB 1 41 LEU H 5.000 . 5.700 3.732 3.732 3.732 . 0 0 "[ ]" 1 149 1 41 LEU H 1 41 LEU HB3 3.500 . 3.500 3.231 3.231 3.231 . 0 0 "[ ]" 1 150 1 41 LEU H 1 41 LEU HG 3.500 . 3.500 2.313 2.313 2.313 . 0 0 "[ ]" 1 151 1 42 PRO HA 1 43 TRP H 5.000 . 5.000 3.571 3.571 3.571 . 0 0 "[ ]" 1 152 1 42 PRO QB 1 43 TRP H 3.500 . 4.200 2.827 2.827 2.827 . 0 0 "[ ]" 1 153 1 42 PRO QG 1 43 TRP H 5.000 . 5.700 3.096 3.096 3.096 . 0 0 "[ ]" 1 154 1 42 PRO QD 1 43 TRP H 5.000 . 5.700 2.824 2.824 2.824 . 0 0 "[ ]" 1 155 1 42 PRO HA 1 58 SER H 3.500 . 3.500 2.917 2.917 2.917 . 0 0 "[ ]" 1 156 1 43 TRP H 1 43 TRP HB3 3.500 . 3.500 3.547 3.547 3.547 0.047 1 0 "[ ]" 1 157 1 43 TRP HA 1 44 TRP H 2.800 . 2.800 2.205 2.205 2.205 . 0 0 "[ ]" 1 158 1 43 TRP HB3 1 44 TRP H 3.500 . 3.500 3.532 3.532 3.532 0.032 1 0 "[ ]" 1 159 1 43 TRP HA 1 58 SER H . . 3.500 3.515 3.515 3.515 0.015 1 0 "[ ]" 1 160 1 44 TRP H 1 44 TRP HB3 3.500 . 3.500 3.622 3.622 3.622 0.122 1 0 "[ ]" 1 161 1 44 TRP H 1 44 TRP HD1 5.000 . 5.000 3.754 3.754 3.754 . 0 0 "[ ]" 1 162 1 44 TRP HA 1 45 ARG H 2.800 . 2.800 2.778 2.778 2.778 . 0 0 "[ ]" 1 163 1 44 TRP HB3 1 45 ARG H 2.800 . 2.800 1.921 1.921 1.921 . 0 0 "[ ]" 1 164 1 44 TRP H 1 56 ILE HB 3.500 . 3.500 3.320 3.320 3.320 . 0 0 "[ ]" 1 165 1 44 TRP H 1 57 PRO HA 5.000 . 5.000 3.927 3.927 3.927 . 0 0 "[ ]" 1 166 1 44 TRP H 1 58 SER H 5.000 . 5.000 4.476 4.476 4.476 . 0 0 "[ ]" 1 167 1 44 TRP HE1 1 58 SER QB 5.000 . 5.700 2.939 2.939 2.939 . 0 0 "[ ]" 1 168 1 45 ARG H 1 45 ARG QB 3.500 . 4.200 2.490 2.490 2.490 . 0 0 "[ ]" 1 169 1 45 ARG H 1 45 ARG QD 5.000 . 5.700 4.615 4.615 4.615 . 0 0 "[ ]" 1 170 1 45 ARG HA 1 46 ALA H 2.800 . 2.800 2.479 2.479 2.479 . 0 0 "[ ]" 1 171 1 45 ARG QB 1 46 ALA H 5.000 . 5.700 3.988 3.988 3.988 . 0 0 "[ ]" 1 172 1 45 ARG QG 1 46 ALA H 5.000 . 5.700 4.107 4.107 4.107 . 0 0 "[ ]" 1 173 1 45 ARG HA 1 54 GLY H 5.000 . 5.000 3.885 3.885 3.885 . 0 0 "[ ]" 1 174 1 45 ARG HA 1 56 ILE H 5.000 . 5.000 4.228 4.228 4.228 . 0 0 "[ ]" 1 175 1 46 ALA HA 1 47 ARG H 2.800 . 2.800 2.367 2.367 2.367 . 0 0 "[ ]" 1 176 1 46 ALA MB 1 47 ARG H 3.500 . 3.900 2.838 2.838 2.838 . 0 0 "[ ]" 1 177 1 46 ALA H 1 54 GLY H 3.500 . 3.500 3.649 3.649 3.649 0.149 1 0 "[ ]" 1 178 1 46 ALA MB 1 54 GLY H 5.000 . 5.400 4.491 4.491 4.491 . 0 0 "[ ]" 1 179 1 46 ALA H 1 55 TYR HA 5.000 . 5.000 3.413 3.413 3.413 . 0 0 "[ ]" 1 180 1 46 ALA H 1 56 ILE MD 5.000 . 5.400 1.921 1.921 1.921 . 0 0 "[ ]" 1 181 1 47 ARG HA 1 48 ASP H 2.800 . 2.800 2.369 2.369 2.369 . 0 0 "[ ]" 1 182 1 47 ARG QG 1 48 ASP H 3.500 . 4.200 3.837 3.837 3.837 . 0 0 "[ ]" 1 183 1 48 ASP H 1 48 ASP HB2 3.500 . 3.500 3.596 3.596 3.596 0.096 1 0 "[ ]" 1 184 1 48 ASP HA 1 49 LYS H 3.500 . 3.500 2.937 2.937 2.937 . 0 0 "[ ]" 1 185 1 48 ASP HB3 1 49 LYS H 3.500 . 3.500 3.509 3.509 3.509 0.009 1 0 "[ ]" 1 186 1 48 ASP HB3 1 50 ASN H 5.000 . 5.000 4.636 4.636 4.636 . 0 0 "[ ]" 1 187 1 48 ASP H 1 52 GLN H 5.000 . 5.000 3.293 3.293 3.293 . 0 0 "[ ]" 1 188 1 49 LYS H 1 49 LYS QG 3.500 . 4.200 2.680 2.680 2.680 . 0 0 "[ ]" 1 189 1 49 LYS H 1 49 LYS QB 3.500 . 4.200 2.239 2.239 2.239 . 0 0 "[ ]" 1 190 1 49 LYS H 1 50 ASN H . . 3.500 3.013 3.013 3.013 . 0 0 "[ ]" 1 191 1 49 LYS HA 1 50 ASN H 3.500 . 3.500 2.933 2.933 2.933 . 0 0 "[ ]" 1 192 1 49 LYS QG 1 50 ASN H 5.000 . 5.700 4.471 4.471 4.471 . 0 0 "[ ]" 1 193 1 49 LYS QB 1 50 ASN H 5.000 . 5.700 3.801 3.801 3.801 . 0 0 "[ ]" 1 194 1 49 LYS H 1 51 GLY H 5.000 . 5.000 5.010 5.010 5.010 0.010 1 0 "[ ]" 1 195 1 49 LYS HA 1 51 GLY H 5.000 . 5.000 3.657 3.657 3.657 . 0 0 "[ ]" 1 196 1 50 ASN H 1 50 ASN HA 2.800 . 2.800 2.970 2.970 2.970 0.170 1 0 "[ ]" 1 197 1 50 ASN H 1 50 ASN HB2 2.800 . 2.800 2.463 2.463 2.463 . 0 0 "[ ]" 1 198 1 50 ASN HA 1 51 GLY H 3.500 . 3.500 3.121 3.121 3.121 . 0 0 "[ ]" 1 199 1 50 ASN HB3 1 51 GLY H 5.000 . 5.000 4.267 4.267 4.267 . 0 0 "[ ]" 1 200 1 50 ASN HB3 1 52 GLN H 5.000 . 5.000 4.014 4.014 4.014 . 0 0 "[ ]" 1 201 1 51 GLY QA 1 52 GLN H 5.000 . 5.700 2.822 2.822 2.822 . 0 0 "[ ]" 1 202 1 52 GLN H 1 52 GLN HB3 3.500 . 3.500 3.526 3.526 3.526 0.026 1 0 "[ ]" 1 203 1 52 GLN HA 1 53 GLU H 2.800 . 2.800 2.254 2.254 2.254 . 0 0 "[ ]" 1 204 1 52 GLN HB3 1 53 GLU H 3.500 . 3.500 3.234 3.234 3.234 . 0 0 "[ ]" 1 205 1 52 GLN QG 1 53 GLU H 5.000 . 5.700 3.662 3.662 3.662 . 0 0 "[ ]" 1 206 1 53 GLU H 1 53 GLU QB 3.500 . 4.200 2.796 2.796 2.796 . 0 0 "[ ]" 1 207 1 53 GLU HA 1 54 GLY H 2.800 . 2.800 2.325 2.325 2.325 . 0 0 "[ ]" 1 208 1 53 GLU QG 1 54 GLY H 5.000 . 5.700 3.866 3.866 3.866 . 0 0 "[ ]" 1 209 1 53 GLU QB 1 54 GLY H 3.500 . 4.200 2.835 2.835 2.835 . 0 0 "[ ]" 1 210 1 54 GLY QA 1 55 TYR H 3.500 . 4.200 2.277 2.277 2.277 . 0 0 "[ ]" 1 211 1 54 GLY H 1 55 TYR H 5.000 . 5.000 4.248 4.248 4.248 . 0 0 "[ ]" 1 212 1 55 TYR H 1 55 TYR HB2 2.800 . 2.800 2.236 2.236 2.236 . 0 0 "[ ]" 1 213 1 55 TYR H 1 55 TYR QD 5.000 . 7.000 2.799 2.799 2.799 . 0 0 "[ ]" 1 214 1 55 TYR HA 1 56 ILE H 2.800 . 2.800 2.260 2.260 2.260 . 0 0 "[ ]" 1 215 1 56 ILE H 1 56 ILE MD 5.000 . 5.400 2.732 2.732 2.732 . 0 0 "[ ]" 1 216 1 57 PRO HA 1 58 SER H 2.800 . 2.800 2.220 2.220 2.220 . 0 0 "[ ]" 1 217 1 57 PRO QB 1 58 SER H 5.000 . 5.700 3.424 3.424 3.424 . 0 0 "[ ]" 1 218 1 57 PRO QB 1 59 ASN H 5.000 . 5.700 3.315 3.315 3.315 . 0 0 "[ ]" 1 219 1 57 PRO QB 1 60 TYR H 5.000 . 5.700 2.177 2.177 2.177 . 0 0 "[ ]" 1 220 1 58 SER HA 1 59 ASN H 5.000 . 5.000 3.573 3.573 3.573 . 0 0 "[ ]" 1 221 1 58 SER HA 1 60 TYR H 5.000 . 5.000 4.439 4.439 4.439 . 0 0 "[ ]" 1 222 1 59 ASN H 1 59 ASN HB2 3.500 . 3.500 3.518 3.518 3.518 0.018 1 0 "[ ]" 1 223 1 59 ASN H 1 60 TYR H 3.500 . 3.500 2.666 2.666 2.666 . 0 0 "[ ]" 1 224 1 59 ASN HA 1 60 TYR H 5.000 . 5.000 3.526 3.526 3.526 . 0 0 "[ ]" 1 225 1 59 ASN HB3 1 60 TYR H 3.500 . 3.500 3.704 3.704 3.704 0.204 1 0 "[ ]" 1 226 1 59 ASN HA 1 61 VAL H 5.000 . 5.000 4.509 4.509 4.509 . 0 0 "[ ]" 1 227 1 60 TYR H 1 60 TYR HB3 3.500 . 3.500 3.409 3.409 3.409 . 0 0 "[ ]" 1 228 1 60 TYR H 1 61 VAL QG 5.000 . 6.500 3.662 3.662 3.662 . 0 0 "[ ]" 1 229 1 60 TYR HA 1 61 VAL H 5.000 . 5.000 3.582 3.582 3.582 . 0 0 "[ ]" 1 230 1 60 TYR HB2 1 61 VAL H 5.000 . 5.000 2.871 2.871 2.871 . 0 0 "[ ]" 1 231 1 61 VAL H 1 61 VAL QG 3.500 . 5.000 1.949 1.949 1.949 . 0 0 "[ ]" 1 232 1 61 VAL H 1 62 THR H 5.000 . 5.000 4.565 4.565 4.565 . 0 0 "[ ]" 1 233 1 61 VAL HA 1 62 THR H 2.800 . 2.800 2.463 2.463 2.463 . 0 0 "[ ]" 1 234 1 61 VAL HB 1 62 THR H 3.500 . 3.500 2.395 2.395 2.395 . 0 0 "[ ]" 1 235 1 61 VAL QG 1 62 THR H 5.000 . 6.500 3.168 3.168 3.168 . 0 0 "[ ]" 1 236 1 62 THR H 1 62 THR MG 3.500 . 3.900 1.968 1.968 1.968 . 0 0 "[ ]" 1 237 1 62 THR HA 1 63 GLU H 5.000 . 5.000 3.214 3.214 3.214 . 0 0 "[ ]" 1 238 1 62 THR HB 1 63 GLU H 5.000 . 5.000 3.466 3.466 3.466 . 0 0 "[ ]" 1 239 1 62 THR MG 1 63 GLU H 5.000 . 5.400 1.953 1.953 1.953 . 0 0 "[ ]" 1 240 1 63 GLU H 1 63 GLU QB 3.500 . 4.200 2.059 2.059 2.059 . 0 0 "[ ]" 1 241 1 63 GLU HA 1 64 ALA H 5.000 . 5.000 2.223 2.223 2.223 . 0 0 "[ ]" 1 242 1 63 GLU QB 1 64 ALA H 5.000 . 5.700 3.255 3.255 3.255 . 0 0 "[ ]" 1 243 1 63 GLU QG 1 64 ALA H 5.000 . 5.700 3.598 3.598 3.598 . 0 0 "[ ]" 1 244 1 64 ALA HA 1 65 GLU H 5.000 . 5.000 3.562 3.562 3.562 . 0 0 "[ ]" 1 245 1 64 ALA MB 1 65 GLU H 5.000 . 5.400 2.600 2.600 2.600 . 0 0 "[ ]" 1 246 1 65 GLU H 1 65 GLU HB2 3.500 . 3.500 2.567 2.567 2.567 . 0 0 "[ ]" 1 247 1 10 LYS HA 1 35 ILE H 5.000 . 5.000 2.280 2.280 2.280 . 0 0 "[ ]" 1 248 1 11 VAL QG 1 34 PHE H 5.000 . 6.500 4.029 4.029 4.029 . 0 0 "[ ]" 1 249 1 11 VAL QG 1 63 GLU H 5.000 . 6.500 4.589 4.589 4.589 . 0 0 "[ ]" 1 250 1 12 VAL H 1 61 VAL HA 5.000 . 5.000 4.424 4.424 4.424 . 0 0 "[ ]" 1 251 1 12 VAL H 1 62 THR MG . . 3.900 2.413 2.413 2.413 . 0 0 "[ ]" 1 252 1 13 ALA MB 1 30 GLY H 5.000 . 5.400 2.710 2.710 2.710 . 0 0 "[ ]" 1 253 1 13 ALA H 1 33 TYR QE 5.000 . 5.500 4.213 4.213 4.213 . 0 0 "[ ]" 1 254 1 24 ASP HA 1 55 TYR H 2.800 . 2.800 2.296 2.296 2.296 . 0 0 "[ ]" 1 255 1 25 LEU QD 1 47 ARG H 5.000 . 6.500 3.710 3.710 3.710 . 0 0 "[ ]" 1 256 1 25 LEU QD 1 48 ASP H 5.000 . 5.000 2.553 2.553 2.553 . 0 0 "[ ]" 1 257 1 25 LEU QD 1 53 GLU H 5.000 . 6.500 3.688 3.688 3.688 . 0 0 "[ ]" 1 258 1 28 ARG H 1 33 TYR QE 5.000 . 5.500 3.494 3.494 3.494 . 0 0 "[ ]" 1 259 1 13 ALA MB 1 31 ASP H 5.000 . 5.400 2.642 2.642 2.642 . 0 0 "[ ]" 1 260 1 31 ASP H 1 33 TYR QE 5.000 . 5.500 5.279 5.279 5.279 . 0 0 "[ ]" 1 261 1 35 ILE MD 1 37 GLU H 5.000 . 5.400 4.214 4.214 4.214 . 0 0 "[ ]" 1 262 1 36 LEU H 1 46 ALA MB 5.000 . 5.400 3.294 3.294 3.294 . 0 0 "[ ]" 1 263 1 60 TYR H 1 61 VAL H . . 2.800 2.740 2.740 2.740 . 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 202 _Distance_constraint_stats_list.Viol_count 18 _Distance_constraint_stats_list.Viol_total 1.464 _Distance_constraint_stats_list.Viol_max 0.264 _Distance_constraint_stats_list.Viol_rms 0.0324 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0072 _Distance_constraint_stats_list.Viol_average_violations_only 0.0813 _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 4 SER 0.000 0.000 . 0 "[ ]" 1 5 THR 0.000 0.000 . 0 "[ ]" 1 6 SER 0.000 0.000 . 0 "[ ]" 1 7 GLU 0.000 0.000 . 0 "[ ]" 1 8 LEU 0.000 0.000 . 0 "[ ]" 1 9 LYS 0.000 0.000 . 0 "[ ]" 1 10 LYS 0.000 0.000 . 0 "[ ]" 1 11 VAL 0.046 0.046 1 0 "[ ]" 1 12 VAL 0.570 0.251 1 0 "[ ]" 1 13 ALA 0.000 0.000 . 0 "[ ]" 1 14 LEU 0.067 0.065 1 0 "[ ]" 1 15 TYR 0.065 0.065 1 0 "[ ]" 1 17 TYR 0.000 0.000 . 0 "[ ]" 1 18 MET 0.000 0.000 . 0 "[ ]" 1 19 PRO 0.000 0.000 . 0 "[ ]" 1 20 MET 0.000 0.000 . 0 "[ ]" 1 21 ASN 0.000 0.000 . 0 "[ ]" 1 22 ALA 0.000 0.000 . 0 "[ ]" 1 23 ASN 0.462 0.264 1 0 "[ ]" 1 24 ASP 0.307 0.264 1 0 "[ ]" 1 25 LEU 0.000 0.000 . 0 "[ ]" 1 26 GLN 0.000 0.000 . 0 "[ ]" 1 27 LEU 0.000 0.000 . 0 "[ ]" 1 29 LYS 0.000 0.000 . 0 "[ ]" 1 30 GLY 0.000 0.000 . 0 "[ ]" 1 31 ASP 0.000 0.000 . 0 "[ ]" 1 32 GLU 0.264 0.251 1 0 "[ ]" 1 33 TYR 0.019 0.019 1 0 "[ ]" 1 34 PHE 0.054 0.054 1 0 "[ ]" 1 35 ILE 0.000 0.000 . 0 "[ ]" 1 36 LEU 0.006 0.006 1 0 "[ ]" 1 37 GLU 0.006 0.006 1 0 "[ ]" 1 38 GLU 0.031 0.031 1 0 "[ ]" 1 39 SER 0.087 0.087 1 0 "[ ]" 1 41 LEU 0.000 0.000 . 0 "[ ]" 1 42 PRO 0.000 0.000 . 0 "[ ]" 1 43 TRP 0.020 0.020 1 0 "[ ]" 1 44 TRP 0.118 0.087 1 0 "[ ]" 1 45 ARG 0.108 0.108 1 0 "[ ]" 1 46 ALA 0.000 0.000 . 0 "[ ]" 1 47 ARG 0.054 0.054 1 0 "[ ]" 1 48 ASP 0.000 0.000 . 0 "[ ]" 1 49 LYS 0.000 0.000 . 0 "[ ]" 1 50 ASN 0.000 0.000 . 0 "[ ]" 1 51 GLY 0.000 0.000 . 0 "[ ]" 1 52 GLN 0.000 0.000 . 0 "[ ]" 1 53 GLU 0.000 0.000 . 0 "[ ]" 1 54 GLY 0.000 0.000 . 0 "[ ]" 1 55 TYR 0.108 0.108 1 0 "[ ]" 1 56 ILE 0.000 0.000 . 0 "[ ]" 1 57 PRO 0.020 0.020 1 0 "[ ]" 1 58 SER 0.000 0.000 . 0 "[ ]" 1 60 TYR 0.000 0.000 . 0 "[ ]" 1 61 VAL 0.097 0.097 1 0 "[ ]" 1 62 THR 0.002 0.002 1 0 "[ ]" 1 63 GLU 0.070 0.070 1 0 "[ ]" 1 64 ALA 0.046 0.046 1 0 "[ ]" 1 65 GLU 0.000 0.000 . 0 "[ ]" 1 66 ASP 0.000 0.000 . 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 4 SER HA 1 5 THR H 5.000 . 5.000 3.503 3.503 3.503 . 0 0 "[ ]" 2 2 1 5 THR MG 1 6 SER H 5.000 . 5.400 4.104 4.104 4.104 . 0 0 "[ ]" 2 3 1 7 GLU H 1 7 GLU HB2 3.500 . 3.500 2.113 2.113 2.113 . 0 0 "[ ]" 2 4 1 7 GLU QG 1 8 LEU H 5.000 . 5.700 4.627 4.627 4.627 . 0 0 "[ ]" 2 5 1 8 LEU H 1 9 LYS H 5.000 . 5.000 3.947 3.947 3.947 . 0 0 "[ ]" 2 6 1 8 LEU HA 1 9 LYS H 2.800 . 2.800 2.214 2.214 2.214 . 0 0 "[ ]" 2 7 1 9 LYS QB 1 9 LYS QE 3.500 . 4.900 3.533 3.533 3.533 . 0 0 "[ ]" 2 8 1 9 LYS H 1 35 ILE MG 5.000 . 5.400 4.085 4.085 4.085 . 0 0 "[ ]" 2 9 1 10 LYS HA 1 10 LYS QG 3.500 . 4.200 2.110 2.110 2.110 . 0 0 "[ ]" 2 10 1 10 LYS HA 1 11 VAL QG 5.000 . 6.500 2.952 2.952 2.952 . 0 0 "[ ]" 2 11 1 10 LYS HA 1 34 PHE HA 3.500 . 3.500 2.429 2.429 2.429 . 0 0 "[ ]" 2 12 1 10 LYS HA 1 34 PHE QD 5.000 . 7.000 4.456 4.456 4.456 . 0 0 "[ ]" 2 13 1 10 LYS QB 1 34 PHE QE 5.000 . 7.700 4.435 4.435 4.435 . 0 0 "[ ]" 2 14 1 11 VAL H 1 11 VAL QG 3.500 . 5.000 2.266 2.266 2.266 . 0 0 "[ ]" 2 15 1 11 VAL HA 1 11 VAL HB 2.800 . 2.800 2.536 2.536 2.536 . 0 0 "[ ]" 2 16 1 11 VAL HA 1 63 GLU HA 2.800 . 2.800 2.491 2.491 2.491 . 0 0 "[ ]" 2 17 1 11 VAL QG 1 63 GLU QG 5.000 . 7.200 3.884 3.884 3.884 . 0 0 "[ ]" 2 18 1 11 VAL HA 1 64 ALA H 2.800 . 2.800 2.089 2.089 2.089 . 0 0 "[ ]" 2 19 1 11 VAL HA 1 64 ALA MB 5.000 . 5.400 3.080 3.080 3.080 . 0 0 "[ ]" 2 20 1 12 VAL H 1 12 VAL MG2 3.500 . 3.900 3.235 3.235 3.235 . 0 0 "[ ]" 2 21 1 12 VAL H 1 12 VAL MG1 3.500 . 3.900 3.314 3.314 3.314 . 0 0 "[ ]" 2 22 1 12 VAL HA 1 12 VAL HB 2.800 . 2.800 2.932 2.932 2.932 0.132 1 0 "[ ]" 2 23 1 12 VAL HA 1 12 VAL MG1 3.500 . 3.900 2.939 2.939 2.939 . 0 0 "[ ]" 2 24 1 12 VAL HA 1 12 VAL MG2 3.500 . 3.900 2.147 2.147 2.147 . 0 0 "[ ]" 2 25 1 12 VAL MG1 1 13 ALA H 3.500 . 3.900 1.902 1.902 1.902 . 0 0 "[ ]" 2 26 1 12 VAL MG2 1 13 ALA H 3.500 . 3.900 3.005 3.005 3.005 . 0 0 "[ ]" 2 27 1 12 VAL HA 1 32 GLU HB2 3.500 . 3.500 3.751 3.751 3.751 0.251 1 0 "[ ]" 2 28 1 12 VAL HA 1 33 TYR H 3.500 . 3.500 3.519 3.519 3.519 0.019 1 0 "[ ]" 2 29 1 12 VAL HA 1 33 TYR QE 5.000 . 7.000 4.809 4.809 4.809 . 0 0 "[ ]" 2 30 1 12 VAL H 1 61 VAL HB 3.500 . 3.500 3.597 3.597 3.597 0.097 1 0 "[ ]" 2 31 1 12 VAL H 1 62 THR H 3.500 . 3.500 2.253 2.253 2.253 . 0 0 "[ ]" 2 32 1 12 VAL H 1 63 GLU HA 3.500 . 3.500 3.570 3.570 3.570 0.070 1 0 "[ ]" 2 33 1 14 LEU HA 1 14 LEU QD 3.500 . 5.000 2.107 2.107 2.107 . 0 0 "[ ]" 2 34 1 14 LEU HA 1 15 TYR H 3.500 . 3.500 3.565 3.565 3.565 0.065 1 0 "[ ]" 2 35 1 14 LEU HA 1 30 GLY H 5.000 . 5.000 3.718 3.718 3.718 . 0 0 "[ ]" 2 36 1 14 LEU HG 1 61 VAL HA 3.500 . 3.500 3.122 3.122 3.122 . 0 0 "[ ]" 2 37 1 14 LEU H 1 62 THR H 5.000 . 5.000 5.002 5.002 5.002 0.002 1 0 "[ ]" 2 38 1 17 TYR HA 1 18 MET H 2.800 . 2.800 2.310 2.310 2.310 . 0 0 "[ ]" 2 39 1 17 TYR H 1 27 LEU H 5.000 . 5.000 3.858 3.858 3.858 . 0 0 "[ ]" 2 40 1 17 TYR QB 1 27 LEU H 3.500 . 4.200 3.399 3.399 3.399 . 0 0 "[ ]" 2 41 1 17 TYR QD 1 27 LEU H 5.000 . 7.000 3.619 3.619 3.619 . 0 0 "[ ]" 2 42 1 17 TYR QD 1 27 LEU HB2 5.000 . 7.000 2.339 2.339 2.339 . 0 0 "[ ]" 2 43 1 17 TYR QD 1 27 LEU QD 5.000 . 8.500 1.835 1.835 1.835 . 0 0 "[ ]" 2 44 1 18 MET HA 1 19 PRO QD 3.500 . 4.200 1.945 1.945 1.945 . 0 0 "[ ]" 2 45 1 20 MET H 1 20 MET HB2 3.500 . 3.500 2.482 2.482 2.482 . 0 0 "[ ]" 2 46 1 20 MET H 1 21 ASN H 3.500 . 3.500 2.128 2.128 2.128 . 0 0 "[ ]" 2 47 1 20 MET HB2 1 21 ASN H 3.500 . 3.500 2.307 2.307 2.307 . 0 0 "[ ]" 2 48 1 20 MET H 1 24 ASP QB 5.000 . 5.700 1.979 1.979 1.979 . 0 0 "[ ]" 2 49 1 21 ASN H 1 21 ASN QD 5.000 . 5.700 4.107 4.107 4.107 . 0 0 "[ ]" 2 50 1 22 ALA MB 1 23 ASN QD 5.000 . 6.100 4.207 4.207 4.207 . 0 0 "[ ]" 2 51 1 23 ASN H 1 24 ASP H 3.500 . 3.500 2.921 2.921 2.921 . 0 0 "[ ]" 2 52 1 23 ASN HA 1 24 ASP H 3.500 . 3.500 3.542 3.542 3.542 0.042 1 0 "[ ]" 2 53 1 24 ASP HA 1 54 GLY QA 5.000 . 5.700 3.841 3.841 3.841 . 0 0 "[ ]" 2 54 1 25 LEU QB 1 27 LEU QD 3.500 . 5.700 1.911 1.911 1.911 . 0 0 "[ ]" 2 55 1 25 LEU QD 1 27 LEU QD 5.000 . 8.000 2.158 2.158 2.158 . 0 0 "[ ]" 2 56 1 25 LEU QD 1 47 ARG HA 5.000 . 5.000 2.048 2.048 2.048 . 0 0 "[ ]" 2 57 1 25 LEU QD 1 53 GLU HA 5.000 . 6.500 2.325 2.325 2.325 . 0 0 "[ ]" 2 58 1 25 LEU H 1 55 TYR H 3.500 . 3.500 1.973 1.973 1.973 . 0 0 "[ ]" 2 59 1 26 GLN H 1 26 GLN QB 3.500 . 4.200 2.189 2.189 2.189 . 0 0 "[ ]" 2 60 1 26 GLN QB 1 27 LEU H 5.000 . 5.700 4.051 4.051 4.051 . 0 0 "[ ]" 2 61 1 27 LEU HA 1 27 LEU QD 3.500 . 5.000 2.909 2.909 2.909 . 0 0 "[ ]" 2 62 1 27 LEU QD 1 56 ILE QG 5.000 . 7.200 1.817 1.817 1.817 . 0 0 "[ ]" 2 63 1 27 LEU QD 1 56 ILE MG 5.000 . 6.900 2.537 2.537 2.537 . 0 0 "[ ]" 2 64 1 27 LEU QD 1 56 ILE MD 5.000 . 6.900 2.406 2.406 2.406 . 0 0 "[ ]" 2 65 1 27 LEU QD 1 60 TYR HB3 5.000 . 6.500 2.826 2.826 2.826 . 0 0 "[ ]" 2 66 1 27 LEU QD 1 61 VAL QG 5.000 . 8.000 1.795 1.795 1.795 . 0 0 "[ ]" 2 67 1 29 LYS HA 1 29 LYS QG 3.500 . 4.200 2.402 2.402 2.402 . 0 0 "[ ]" 2 68 1 32 GLU H 1 32 GLU HB2 2.800 . 2.800 2.813 2.813 2.813 0.013 1 0 "[ ]" 2 69 1 32 GLU HA 1 32 GLU QG 3.500 . 4.200 2.546 2.546 2.546 . 0 0 "[ ]" 2 70 1 33 TYR H 1 33 TYR QD 3.500 . 5.500 2.909 2.909 2.909 . 0 0 "[ ]" 2 71 1 34 PHE HA 1 34 PHE HB3 2.800 . 2.800 2.676 2.676 2.676 . 0 0 "[ ]" 2 72 1 34 PHE HA 1 35 ILE H 2.800 . 2.800 2.206 2.206 2.206 . 0 0 "[ ]" 2 73 1 34 PHE QD 1 35 ILE H 5.000 . 7.000 4.129 4.129 4.129 . 0 0 "[ ]" 2 74 1 34 PHE HA 1 46 ALA MB 5.000 . 5.400 4.276 4.276 4.276 . 0 0 "[ ]" 2 75 1 34 PHE H 1 47 ARG H 3.500 . 3.500 2.906 2.906 2.906 . 0 0 "[ ]" 2 76 1 34 PHE QD 1 47 ARG QG 5.000 . 7.700 6.137 6.137 6.137 . 0 0 "[ ]" 2 77 1 35 ILE HB 1 35 ILE MD 3.500 . 3.900 3.200 3.200 3.200 . 0 0 "[ ]" 2 78 1 35 ILE MG 1 36 LEU H 5.000 . 5.400 2.688 2.688 2.688 . 0 0 "[ ]" 2 79 1 35 ILE MG 1 44 TRP HB3 5.000 . 5.400 3.117 3.117 3.117 . 0 0 "[ ]" 2 80 1 35 ILE MD 1 44 TRP HB3 5.000 . 5.400 3.460 3.460 3.460 . 0 0 "[ ]" 2 81 1 35 ILE MG 1 45 ARG H 5.000 . 5.400 3.970 3.970 3.970 . 0 0 "[ ]" 2 82 1 35 ILE HB 1 46 ALA MB 5.000 . 5.400 4.335 4.335 4.335 . 0 0 "[ ]" 2 83 1 35 ILE MD 1 46 ALA HA 5.000 . 5.400 3.632 3.632 3.632 . 0 0 "[ ]" 2 84 1 36 LEU H 1 45 ARG QB 5.000 . 5.700 4.129 4.129 4.129 . 0 0 "[ ]" 2 85 1 36 LEU QB 1 45 ARG H 5.000 . 5.700 4.447 4.447 4.447 . 0 0 "[ ]" 2 86 1 36 LEU QB 1 46 ALA HA 3.500 . 4.200 3.274 3.274 3.274 . 0 0 "[ ]" 2 87 1 36 LEU QD 1 47 ARG HE 5.000 . 6.500 3.495 3.495 3.495 . 0 0 "[ ]" 2 88 1 37 GLU H 1 45 ARG H 3.500 . 3.500 3.280 3.280 3.280 . 0 0 "[ ]" 2 89 1 38 GLU HA 1 38 GLU QG 3.500 . 4.200 3.325 3.325 3.325 . 0 0 "[ ]" 2 90 1 38 GLU HA 1 44 TRP HD1 3.500 . 3.500 3.531 3.531 3.531 0.031 1 0 "[ ]" 2 91 1 39 SER HB2 1 44 TRP HD1 3.500 . 3.500 3.587 3.587 3.587 0.087 1 0 "[ ]" 2 92 1 41 LEU QD 1 42 PRO QG 5.000 . 7.200 4.298 4.298 4.298 . 0 0 "[ ]" 2 93 1 41 LEU QD 1 42 PRO QD 5.000 . 7.200 3.247 3.247 3.247 . 0 0 "[ ]" 2 94 1 42 PRO QG 1 43 TRP HD1 5.000 . 5.700 2.823 2.823 2.823 . 0 0 "[ ]" 2 95 1 43 TRP HA 1 43 TRP HB3 2.800 . 2.800 2.455 2.455 2.455 . 0 0 "[ ]" 2 96 1 43 TRP HA 1 43 TRP HE3 3.500 . 3.500 3.182 3.182 3.182 . 0 0 "[ ]" 2 97 1 43 TRP HB3 1 43 TRP HE3 2.800 . 2.800 2.683 2.683 2.683 . 0 0 "[ ]" 2 98 1 43 TRP HA 1 57 PRO HA 2.800 . 2.800 2.368 2.368 2.368 . 0 0 "[ ]" 2 99 1 43 TRP HD1 1 57 PRO HA 5.000 . 5.000 5.020 5.020 5.020 0.020 1 0 "[ ]" 2 100 1 43 TRP HE3 1 57 PRO HA 5.000 . 5.000 3.766 3.766 3.766 . 0 0 "[ ]" 2 101 1 43 TRP HE3 1 57 PRO QG 3.500 . 4.200 3.500 3.500 3.500 . 0 0 "[ ]" 2 102 1 44 TRP H 1 56 ILE H 3.500 . 3.500 2.155 2.155 2.155 . 0 0 "[ ]" 2 103 1 44 TRP H 1 56 ILE MD 5.000 . 5.400 4.272 4.272 4.272 . 0 0 "[ ]" 2 104 1 45 ARG HA 1 55 TYR HA 2.800 . 2.800 2.908 2.908 2.908 0.108 1 0 "[ ]" 2 105 1 47 ARG H 1 47 ARG HB2 3.500 . 3.500 2.368 2.368 2.368 . 0 0 "[ ]" 2 106 1 47 ARG HA 1 47 ARG HB3 2.800 . 2.800 2.519 2.519 2.519 . 0 0 "[ ]" 2 107 1 47 ARG HA 1 47 ARG QG 3.500 . 4.200 2.357 2.357 2.357 . 0 0 "[ ]" 2 108 1 47 ARG HB3 1 48 ASP H 3.500 . 3.500 2.660 2.660 2.660 . 0 0 "[ ]" 2 109 1 47 ARG HA 1 53 GLU HA 2.800 . 2.800 2.070 2.070 2.070 . 0 0 "[ ]" 2 110 1 47 ARG HA 1 53 GLU QG 5.000 . 5.700 5.101 5.101 5.101 . 0 0 "[ ]" 2 111 1 47 ARG HE 1 53 GLU QG 5.000 . 5.700 3.451 3.451 3.451 . 0 0 "[ ]" 2 112 1 47 ARG HE 1 53 GLU QB 5.000 . 5.700 2.162 2.162 2.162 . 0 0 "[ ]" 2 113 1 47 ARG HA 1 54 GLY H 3.500 . 3.500 3.302 3.302 3.302 . 0 0 "[ ]" 2 114 1 48 ASP HA 1 48 ASP HB2 2.800 . 2.800 2.461 2.461 2.461 . 0 0 "[ ]" 2 115 1 48 ASP H 1 53 GLU HA 5.000 . 5.000 3.931 3.931 3.931 . 0 0 "[ ]" 2 116 1 50 ASN H 1 51 GLY H 2.800 . 2.800 2.185 2.185 2.185 . 0 0 "[ ]" 2 117 1 50 ASN H 1 52 GLN H 3.500 . 3.500 2.976 2.976 2.976 . 0 0 "[ ]" 2 118 1 51 GLY H 1 52 GLN H 2.800 . 2.800 2.676 2.676 2.676 . 0 0 "[ ]" 2 119 1 53 GLU HA 1 53 GLU QG 3.500 . 4.200 3.316 3.316 3.316 . 0 0 "[ ]" 2 120 1 55 TYR HB3 1 55 TYR QD 2.800 . 4.800 2.437 2.437 2.437 . 0 0 "[ ]" 2 121 1 55 TYR HB3 1 56 ILE H 3.500 . 3.500 2.964 2.964 2.964 . 0 0 "[ ]" 2 122 1 56 ILE H 1 56 ILE HB 3.500 . 3.500 2.445 2.445 2.445 . 0 0 "[ ]" 2 123 1 60 TYR HB2 1 61 VAL QG 5.000 . 6.500 3.134 3.134 3.134 . 0 0 "[ ]" 2 124 1 61 VAL HA 1 61 VAL HB 2.800 . 2.800 2.493 2.493 2.493 . 0 0 "[ ]" 2 125 1 63 GLU H 1 64 ALA H 5.000 . 5.000 4.571 4.571 4.571 . 0 0 "[ ]" 2 126 1 64 ALA H 1 65 GLU H 5.000 . 5.000 2.909 2.909 2.909 . 0 0 "[ ]" 2 127 1 65 GLU HA 1 66 ASP H 5.000 . 5.000 2.312 2.312 2.312 . 0 0 "[ ]" 2 128 1 5 THR HA 1 8 LEU QB 5.000 . 5.700 2.607 2.607 2.607 . 0 0 "[ ]" 2 129 1 5 THR HA 1 8 LEU QD 5.000 . 6.500 2.917 2.917 2.917 . 0 0 "[ ]" 2 130 1 7 GLU HA 1 7 GLU QG 3.500 . 4.200 2.393 2.393 2.393 . 0 0 "[ ]" 2 131 1 8 LEU QD 1 35 ILE H 5.000 . 6.500 4.293 4.293 4.293 . 0 0 "[ ]" 2 132 1 8 LEU QD 1 36 LEU HA 5.000 . 6.500 2.160 2.160 2.160 . 0 0 "[ ]" 2 133 1 9 LYS QG 1 10 LYS QE 5.000 . 6.400 4.569 4.569 4.569 . 0 0 "[ ]" 2 134 1 11 VAL QG 1 33 TYR HB2 5.000 . 6.500 2.344 2.344 2.344 . 0 0 "[ ]" 2 135 1 11 VAL QG 1 34 PHE HA 5.000 . 6.500 3.756 3.756 3.756 . 0 0 "[ ]" 2 136 1 11 VAL HA 1 61 VAL HB 5.000 . 5.000 4.551 4.551 4.551 . 0 0 "[ ]" 2 137 1 11 VAL HA 1 61 VAL QG 5.000 . 6.500 4.694 4.694 4.694 . 0 0 "[ ]" 2 138 1 11 VAL QG 1 62 THR H 5.000 . 6.500 3.667 3.667 3.667 . 0 0 "[ ]" 2 139 1 11 VAL QG 1 63 GLU HA 5.000 . 6.500 2.901 2.901 2.901 . 0 0 "[ ]" 2 140 1 11 VAL H 1 64 ALA HA 3.500 . 3.500 3.546 3.546 3.546 0.046 1 0 "[ ]" 2 141 1 12 VAL MG1 1 30 GLY QA 5.000 . 6.100 3.494 3.494 3.494 . 0 0 "[ ]" 2 142 1 12 VAL MG2 1 30 GLY QA 5.000 . 6.100 4.162 4.162 4.162 . 0 0 "[ ]" 2 143 1 12 VAL HA 1 32 GLU HB3 3.500 . 3.500 2.415 2.415 2.415 . 0 0 "[ ]" 2 144 1 12 VAL MG1 1 32 GLU HA 5.000 . 5.400 4.188 4.188 4.188 . 0 0 "[ ]" 2 145 1 12 VAL MG2 1 32 GLU HA 5.000 . 5.400 3.496 3.496 3.496 . 0 0 "[ ]" 2 146 1 12 VAL MG1 1 32 GLU QG 3.500 . 4.600 3.221 3.221 3.221 . 0 0 "[ ]" 2 147 1 12 VAL MG2 1 32 GLU QG 3.500 . 4.600 1.677 1.677 1.677 . 0 0 "[ ]" 2 148 1 12 VAL HA 1 33 TYR QD 3.500 . 5.500 4.614 4.614 4.614 . 0 0 "[ ]" 2 149 1 13 ALA H 1 33 TYR QD 5.000 . 7.000 5.261 5.261 5.261 . 0 0 "[ ]" 2 150 1 13 ALA H 1 61 VAL QG 5.000 . 6.500 4.380 4.380 4.380 . 0 0 "[ ]" 2 151 1 13 ALA MB 1 61 VAL HA 5.000 . 5.400 4.002 4.002 4.002 . 0 0 "[ ]" 2 152 1 14 LEU QD 1 62 THR HB 3.500 . 5.000 2.837 2.837 2.837 . 0 0 "[ ]" 2 153 1 14 LEU QD 1 62 THR MG 3.500 . 5.400 2.763 2.763 2.763 . 0 0 "[ ]" 2 154 1 17 TYR HA 1 17 TYR QD 3.500 . 5.500 2.286 2.286 2.286 . 0 0 "[ ]" 2 155 1 17 TYR QB 1 27 LEU HB2 5.000 . 5.700 1.955 1.955 1.955 . 0 0 "[ ]" 2 156 1 17 TYR QB 1 27 LEU QD 5.000 . 7.200 2.912 2.912 2.912 . 0 0 "[ ]" 2 157 1 18 MET HA 1 19 PRO QG 3.500 . 4.200 3.887 3.887 3.887 . 0 0 "[ ]" 2 158 1 18 MET HA 1 26 GLN QG 5.000 . 5.700 2.481 2.481 2.481 . 0 0 "[ ]" 2 159 1 19 PRO QB 1 22 ALA HA 3.500 . 4.200 3.832 3.832 3.832 . 0 0 "[ ]" 2 160 1 19 PRO QG 1 22 ALA HA 5.000 . 5.700 5.114 5.114 5.114 . 0 0 "[ ]" 2 161 1 19 PRO HA 1 24 ASP QB 3.500 . 4.200 1.845 1.845 1.845 . 0 0 "[ ]" 2 162 1 19 PRO QB 1 24 ASP QB 3.500 . 4.900 2.734 2.734 2.734 . 0 0 "[ ]" 2 163 1 23 ASN HA 1 23 ASN HB2 2.800 . 2.800 2.956 2.956 2.956 0.156 1 0 "[ ]" 2 164 1 23 ASN HB3 1 24 ASP HA 3.500 . 3.500 3.764 3.764 3.764 0.264 1 0 "[ ]" 2 165 1 24 ASP HA 1 55 TYR QB 3.500 . 4.200 1.964 1.964 1.964 . 0 0 "[ ]" 2 166 1 25 LEU QD 1 46 ALA HA 5.000 . 6.500 4.332 4.332 4.332 . 0 0 "[ ]" 2 167 1 25 LEU QD 1 46 ALA MB 5.000 . 6.900 2.963 2.963 2.963 . 0 0 "[ ]" 2 168 1 25 LEU QD 1 47 ARG HB3 3.500 . 5.000 3.781 3.781 3.781 . 0 0 "[ ]" 2 169 1 25 LEU QD 1 48 ASP HB2 3.500 . 5.000 3.414 3.414 3.414 . 0 0 "[ ]" 2 170 1 25 LEU QB 1 54 GLY QA 3.500 . 4.900 1.934 1.934 1.934 . 0 0 "[ ]" 2 171 1 25 LEU QD 1 54 GLY QA 5.000 . 7.200 1.955 1.955 1.955 . 0 0 "[ ]" 2 172 1 25 LEU QB 1 55 TYR HA 3.500 . 4.200 3.893 3.893 3.893 . 0 0 "[ ]" 2 173 1 25 LEU QD 1 55 TYR HA 5.000 . 6.500 4.564 4.564 4.564 . 0 0 "[ ]" 2 174 1 27 LEU QD 1 57 PRO QD 3.500 . 5.700 2.057 2.057 2.057 . 0 0 "[ ]" 2 175 1 31 ASP QB 1 33 TYR QE 3.500 . 6.200 3.208 3.208 3.208 . 0 0 "[ ]" 2 176 1 32 GLU HA 1 32 GLU HB3 2.800 . 2.800 2.395 2.395 2.395 . 0 0 "[ ]" 2 177 1 33 TYR QD 1 56 ILE MG 5.000 . 7.400 3.080 3.080 3.080 . 0 0 "[ ]" 2 178 1 33 TYR QD 1 61 VAL QG 5.000 . 8.500 2.192 2.192 2.192 . 0 0 "[ ]" 2 179 1 33 TYR QE 1 61 VAL QG 5.000 . 8.500 1.931 1.931 1.931 . 0 0 "[ ]" 2 180 1 34 PHE HB3 1 47 ARG H 3.500 . 3.500 3.554 3.554 3.554 0.054 1 0 "[ ]" 2 181 1 35 ILE MG 1 37 GLU H 5.000 . 5.400 2.613 2.613 2.613 . 0 0 "[ ]" 2 182 1 35 ILE MG 1 46 ALA MB 5.000 . 5.800 3.191 3.191 3.191 . 0 0 "[ ]" 2 183 1 35 ILE HA 1 46 ALA MB 5.000 . 5.400 1.912 1.912 1.912 . 0 0 "[ ]" 2 184 1 36 LEU HA 1 37 GLU H 3.500 . 3.500 3.506 3.506 3.506 0.006 1 0 "[ ]" 2 185 1 36 LEU QD 1 53 GLU QG 5.000 . 7.200 4.760 4.760 4.760 . 0 0 "[ ]" 2 186 1 41 LEU HB2 1 42 PRO QG 3.500 . 4.200 3.801 3.801 3.801 . 0 0 "[ ]" 2 187 1 41 LEU HB2 1 42 PRO QD 3.500 . 4.200 1.953 1.953 1.953 . 0 0 "[ ]" 2 188 1 44 TRP HB3 1 44 TRP HE3 3.500 . 3.500 3.340 3.340 3.340 . 0 0 "[ ]" 2 189 1 44 TRP HD1 1 45 ARG H 5.000 . 5.000 4.555 4.555 4.555 . 0 0 "[ ]" 2 190 1 44 TRP HE3 1 46 ALA MB 3.500 . 3.900 3.116 3.116 3.116 . 0 0 "[ ]" 2 191 1 44 TRP HB2 1 56 ILE MG 3.500 . 3.900 3.143 3.143 3.143 . 0 0 "[ ]" 2 192 1 45 ARG HA 1 45 ARG QG 3.500 . 4.200 2.132 2.132 2.132 . 0 0 "[ ]" 2 193 1 47 ARG HB3 1 47 ARG QD 3.500 . 4.200 2.881 2.881 2.881 . 0 0 "[ ]" 2 194 1 49 LYS HA 1 49 LYS QE 3.500 . 4.200 3.092 3.092 3.092 . 0 0 "[ ]" 2 195 1 56 ILE HA 1 56 ILE QG 3.500 . 4.200 2.109 2.109 2.109 . 0 0 "[ ]" 2 196 1 56 ILE MD 1 56 ILE MG 3.500 . 4.300 3.135 3.135 3.135 . 0 0 "[ ]" 2 197 1 56 ILE MG 1 58 SER HA 5.000 . 5.400 3.577 3.577 3.577 . 0 0 "[ ]" 2 198 1 56 ILE QG 1 61 VAL QG 5.000 . 7.200 2.819 2.819 2.819 . 0 0 "[ ]" 2 199 1 56 ILE MG 1 61 VAL QG 5.000 . 6.900 1.627 1.627 1.627 . 0 0 "[ ]" 2 200 1 58 SER HA 1 61 VAL QG 5.000 . 6.500 2.312 2.312 2.312 . 0 0 "[ ]" 2 201 1 61 VAL HA 1 62 THR MG 5.000 . 5.400 3.476 3.476 3.476 . 0 0 "[ ]" 2 202 1 65 GLU HA 1 65 GLU HB3 2.800 . 2.800 2.587 2.587 2.587 . 0 0 "[ ]" 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 72 _Distance_constraint_stats_list.Viol_count 5 _Distance_constraint_stats_list.Viol_total 0.728 _Distance_constraint_stats_list.Viol_max 0.275 _Distance_constraint_stats_list.Viol_rms 0.0452 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0101 _Distance_constraint_stats_list.Viol_average_violations_only 0.1455 _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 LYS 0.000 0.000 . 0 "[ ]" 1 11 VAL 0.000 0.000 . 0 "[ ]" 1 12 VAL 0.000 0.000 . 0 "[ ]" 1 13 ALA 0.000 0.000 . 0 "[ ]" 1 14 LEU 0.000 0.000 . 0 "[ ]" 1 15 TYR 0.000 0.000 . 0 "[ ]" 1 16 ASP 0.000 0.000 . 0 "[ ]" 1 17 TYR 0.000 0.000 . 0 "[ ]" 1 18 MET 0.036 0.036 1 0 "[ ]" 1 19 PRO 0.000 0.000 . 0 "[ ]" 1 20 MET 0.000 0.000 . 0 "[ ]" 1 23 ASN 0.066 0.066 1 0 "[ ]" 1 26 GLN 0.000 0.000 . 0 "[ ]" 1 27 LEU 0.147 0.112 1 0 "[ ]" 1 28 ARG 0.000 0.000 . 0 "[ ]" 1 32 GLU 0.000 0.000 . 0 "[ ]" 1 33 TYR 0.000 0.000 . 0 "[ ]" 1 34 PHE 0.000 0.000 . 0 "[ ]" 1 35 ILE 0.000 0.000 . 0 "[ ]" 1 36 LEU 0.000 0.000 . 0 "[ ]" 1 38 GLU 0.275 0.275 1 0 "[ ]" 1 41 LEU 0.275 0.275 1 0 "[ ]" 1 42 PRO 0.000 0.000 . 0 "[ ]" 1 43 TRP 0.240 0.240 1 0 "[ ]" 1 44 TRP 0.000 0.000 . 0 "[ ]" 1 46 ALA 0.000 0.000 . 0 "[ ]" 1 47 ARG 0.000 0.000 . 0 "[ ]" 1 48 ASP 0.000 0.000 . 0 "[ ]" 1 49 LYS 0.000 0.000 . 0 "[ ]" 1 52 GLN 0.000 0.000 . 0 "[ ]" 1 53 GLU 0.000 0.000 . 0 "[ ]" 1 55 TYR 0.066 0.066 1 0 "[ ]" 1 56 ILE 0.112 0.112 1 0 "[ ]" 1 57 PRO 0.000 0.000 . 0 "[ ]" 1 60 TYR 0.000 0.000 . 0 "[ ]" 1 61 VAL 0.000 0.000 . 0 "[ ]" 1 62 THR 0.000 0.000 . 0 "[ ]" 1 63 GLU 0.000 0.000 . 0 "[ ]" 1 64 ALA 0.000 0.000 . 0 "[ ]" 1 65 GLU 0.000 0.000 . 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 12 VAL HA 1 32 GLU QG 3.500 . 4.200 2.152 2.152 2.152 . 0 0 "[ ]" 3 2 1 14 LEU HB2 1 15 TYR QD 3.500 . 5.500 3.048 3.048 3.048 . 0 0 "[ ]" 3 3 1 14 LEU QD 1 15 TYR QD 5.000 . 8.500 3.563 3.563 3.563 . 0 0 "[ ]" 3 4 1 15 TYR QD 1 60 TYR HA 5.000 . 7.000 3.269 3.269 3.269 . 0 0 "[ ]" 3 5 1 15 TYR QD 1 60 TYR HB3 5.000 . 7.000 5.113 5.113 5.113 . 0 0 "[ ]" 3 6 1 15 TYR QD 1 60 TYR QD 5.000 . 9.000 3.688 3.688 3.688 . 0 0 "[ ]" 3 7 1 15 TYR QD 1 60 TYR QE 5.000 . 9.000 3.699 3.699 3.699 . 0 0 "[ ]" 3 8 1 16 ASP HB3 1 17 TYR HA 5.000 . 5.000 4.138 4.138 4.138 . 0 0 "[ ]" 3 9 1 17 TYR QD 1 19 PRO HA 5.000 . 7.000 5.206 5.206 5.206 . 0 0 "[ ]" 3 10 1 17 TYR QD 1 26 GLN HA 5.000 . 7.000 5.221 5.221 5.221 . 0 0 "[ ]" 3 11 1 17 TYR QD 1 27 LEU HG 5.000 . 7.000 4.129 4.129 4.129 . 0 0 "[ ]" 3 12 1 17 TYR QB 1 60 TYR QD 5.000 . 7.700 3.278 3.278 3.278 . 0 0 "[ ]" 3 13 1 32 GLU HA 1 33 TYR QD 5.000 . 7.000 3.670 3.670 3.670 . 0 0 "[ ]" 3 14 1 32 GLU HA 1 33 TYR QE 5.000 . 7.000 3.932 3.932 3.932 . 0 0 "[ ]" 3 15 1 33 TYR HA 1 33 TYR QE 5.000 . 7.000 4.667 4.667 4.667 . 0 0 "[ ]" 3 16 1 33 TYR HB3 1 33 TYR QD 2.800 . 4.800 2.553 2.553 2.553 . 0 0 "[ ]" 3 17 1 33 TYR HA 1 48 ASP HA 3.500 . 3.500 2.572 2.572 2.572 . 0 0 "[ ]" 3 18 1 33 TYR QD 1 48 ASP HA 3.500 . 5.500 1.982 1.982 1.982 . 0 0 "[ ]" 3 19 1 33 TYR QD 1 48 ASP HB3 3.500 . 5.500 2.764 2.764 2.764 . 0 0 "[ ]" 3 20 1 33 TYR QE 1 48 ASP HA 3.500 . 5.500 4.169 4.169 4.169 . 0 0 "[ ]" 3 21 1 33 TYR QE 1 48 ASP HB3 3.500 . 5.500 3.690 3.690 3.690 . 0 0 "[ ]" 3 22 1 35 ILE HA 1 46 ALA HA 2.800 . 2.800 2.658 2.658 2.658 . 0 0 "[ ]" 3 23 1 43 TRP HA 1 43 TRP HD1 5.000 . 5.000 4.163 4.163 4.163 . 0 0 "[ ]" 3 24 1 43 TRP HB3 1 43 TRP HD1 3.500 . 3.500 3.740 3.740 3.740 0.240 1 0 "[ ]" 3 25 1 44 TRP HB3 1 44 TRP HD1 3.500 . 3.500 3.323 3.323 3.323 . 0 0 "[ ]" 3 26 1 10 LYS HB2 1 34 PHE QE 3.500 . 5.500 5.135 5.135 5.135 . 0 0 "[ ]" 3 27 1 10 LYS QG 1 34 PHE HA 5.000 . 5.700 1.975 1.975 1.975 . 0 0 "[ ]" 3 28 1 11 VAL HB 1 61 VAL HA 5.000 . 5.000 4.379 4.379 4.379 . 0 0 "[ ]" 3 29 1 11 VAL HA 1 63 GLU QG 5.000 . 5.700 4.320 4.320 4.320 . 0 0 "[ ]" 3 30 1 12 VAL HB 1 32 GLU HA 5.000 . 5.000 4.883 4.883 4.883 . 0 0 "[ ]" 3 31 1 12 VAL HA 1 64 ALA MB 5.000 . 5.400 4.459 4.459 4.459 . 0 0 "[ ]" 3 32 1 14 LEU QD 1 61 VAL HA 5.000 . 6.500 3.229 3.229 3.229 . 0 0 "[ ]" 3 33 1 17 TYR QE 1 19 PRO HA 3.500 . 5.500 4.264 4.264 4.264 . 0 0 "[ ]" 3 34 1 27 LEU HB2 1 56 ILE HA 5.000 . 5.000 5.112 5.112 5.112 0.112 1 0 "[ ]" 3 35 1 27 LEU QD 1 56 ILE HA 5.000 . 6.500 2.099 2.099 2.099 . 0 0 "[ ]" 3 36 1 18 MET HA 1 26 GLN HA 5.000 . 5.000 2.251 2.251 2.251 . 0 0 "[ ]" 3 37 1 18 MET HA 1 26 GLN QB 5.000 . 5.700 3.784 3.784 3.784 . 0 0 "[ ]" 3 38 1 18 MET HA 1 27 LEU HB2 5.000 . 5.000 5.036 5.036 5.036 0.036 1 0 "[ ]" 3 39 1 20 MET HA 1 20 MET QG 3.500 . 4.200 2.313 2.313 2.313 . 0 0 "[ ]" 3 40 1 23 ASN HB3 1 55 TYR HA 5.000 . 5.700 5.766 5.766 5.766 0.066 1 0 "[ ]" 3 41 1 28 ARG HA 1 28 ARG QG 3.500 . 4.200 2.186 2.186 2.186 . 0 0 "[ ]" 3 42 1 33 TYR HB3 1 48 ASP HA 5.000 . 5.000 2.828 2.828 2.828 . 0 0 "[ ]" 3 43 1 17 TYR QE 1 56 ILE MD 5.000 . 7.400 4.313 4.313 4.313 . 0 0 "[ ]" 3 44 1 34 PHE HA 1 34 PHE QD 3.500 . 5.500 2.995 2.995 2.995 . 0 0 "[ ]" 3 45 1 35 ILE HA 1 35 ILE MG 3.500 . 3.900 2.316 2.316 2.316 . 0 0 "[ ]" 3 46 1 35 ILE HA 1 35 ILE MD 3.500 . 3.900 2.062 2.062 2.062 . 0 0 "[ ]" 3 47 1 35 ILE MG 1 46 ALA HA 5.000 . 5.400 4.189 4.189 4.189 . 0 0 "[ ]" 3 48 1 36 LEU HA 1 36 LEU QD 3.500 . 5.000 2.949 2.949 2.949 . 0 0 "[ ]" 3 49 1 38 GLU HA 1 44 TRP HA 5.000 . 5.000 4.682 4.682 4.682 . 0 0 "[ ]" 3 50 1 44 TRP HZ3 1 46 ALA MB 5.000 . 5.400 4.637 4.637 4.637 . 0 0 "[ ]" 3 51 1 44 TRP HE3 1 56 ILE MG 5.000 . 5.400 2.165 2.165 2.165 . 0 0 "[ ]" 3 52 1 44 TRP HE3 1 61 VAL QG 5.000 . 6.500 3.119 3.119 3.119 . 0 0 "[ ]" 3 53 1 47 ARG HB2 1 53 GLU HA 5.000 . 5.000 4.094 4.094 4.094 . 0 0 "[ ]" 3 54 1 48 ASP HA 1 49 LYS HA 5.000 . 5.000 4.471 4.471 4.471 . 0 0 "[ ]" 3 55 1 52 GLN HA 1 52 GLN QG 3.500 . 4.200 2.027 2.027 2.027 . 0 0 "[ ]" 3 56 1 56 ILE HA 1 57 PRO QD 3.500 . 4.200 1.991 1.991 1.991 . 0 0 "[ ]" 3 57 1 56 ILE MG 1 61 VAL HA 5.000 . 5.400 4.525 4.525 4.525 . 0 0 "[ ]" 3 58 1 62 THR HA 1 62 THR HB 2.800 . 2.800 2.475 2.475 2.475 . 0 0 "[ ]" 3 59 1 65 GLU HA 1 65 GLU QG 3.500 . 4.200 2.141 2.141 2.141 . 0 0 "[ ]" 3 60 1 13 ALA MB 1 33 TYR QD 5.000 . 7.400 3.685 3.685 3.685 . 0 0 "[ ]" 3 61 1 13 ALA MB 1 33 TYR QE 3.500 . 5.900 2.047 2.047 2.047 . 0 0 "[ ]" 3 62 1 27 LEU QD 1 33 TYR QD 5.000 . 8.500 2.935 2.935 2.935 . 0 0 "[ ]" 3 63 1 27 LEU QD 1 33 TYR QE 5.000 . 8.500 1.975 1.975 1.975 . 0 0 "[ ]" 3 64 1 33 TYR QD 1 46 ALA MB 5.000 . 7.400 4.063 4.063 4.063 . 0 0 "[ ]" 3 65 1 33 TYR QE 1 46 ALA MB 5.000 . 7.400 5.555 5.555 5.555 . 0 0 "[ ]" 3 66 1 33 TYR QD 1 48 ASP H 5.000 . 7.000 4.441 4.441 4.441 . 0 0 "[ ]" 3 67 1 33 TYR QE 1 49 LYS H 5.000 . 7.000 4.852 4.852 4.852 . 0 0 "[ ]" 3 68 1 38 GLU H 1 41 LEU H 6.000 . 6.000 6.275 6.275 6.275 0.275 1 0 "[ ]" 3 69 1 41 LEU HA 1 42 PRO QD 5.000 . 5.700 2.038 2.038 2.038 . 0 0 "[ ]" 3 70 1 42 PRO HA 1 43 TRP HD1 6.000 . 6.000 5.281 5.281 5.281 . 0 0 "[ ]" 3 71 1 43 TRP HZ3 1 56 ILE HA 5.000 . 5.700 4.914 4.914 4.914 . 0 0 "[ ]" 3 72 1 44 TRP H 1 56 ILE MG 5.000 . 5.400 3.738 3.738 3.738 . 0 0 "[ ]" 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 22 _Distance_constraint_stats_list.Viol_count 6 _Distance_constraint_stats_list.Viol_total 0.140 _Distance_constraint_stats_list.Viol_max 0.037 _Distance_constraint_stats_list.Viol_rms 0.0123 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0063 _Distance_constraint_stats_list.Viol_average_violations_only 0.0233 _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 0.053 0.037 1 0 "[ ]" 1 12 VAL 0.000 0.000 . 0 "[ ]" 1 13 ALA 0.033 0.033 1 0 "[ ]" 1 14 LEU 0.000 0.000 . 0 "[ ]" 1 31 ASP 0.033 0.033 1 0 "[ ]" 1 33 TYR 0.053 0.037 1 0 "[ ]" 1 34 PHE 0.031 0.031 1 0 "[ ]" 1 42 PRO 0.016 0.016 1 0 "[ ]" 1 44 TRP 0.006 0.006 1 0 "[ ]" 1 46 ALA 0.000 0.000 . 0 "[ ]" 1 47 ARG 0.031 0.031 1 0 "[ ]" 1 48 ASP 0.000 0.000 . 0 "[ ]" 1 52 GLN 0.000 0.000 . 0 "[ ]" 1 54 GLY 0.000 0.000 . 0 "[ ]" 1 56 ILE 0.006 0.006 1 0 "[ ]" 1 58 SER 0.016 0.016 1 0 "[ ]" 1 60 TYR 0.000 0.000 . 0 "[ ]" 1 62 THR 0.000 0.000 . 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 11 VAL O 1 33 TYR H 2.000 . 2.400 1.763 1.763 1.763 0.037 1 0 "[ ]" 4 2 1 11 VAL O 1 33 TYR N 2.800 2.600 3.200 2.660 2.660 2.660 . 0 0 "[ ]" 4 3 1 11 VAL H 1 33 TYR O 2.000 . 2.400 2.279 2.279 2.279 . 0 0 "[ ]" 4 4 1 11 VAL N 1 33 TYR O 2.800 2.600 3.200 3.216 3.216 3.216 0.016 1 0 "[ ]" 4 5 1 13 ALA H 1 31 ASP O 2.000 . 2.400 2.049 2.049 2.049 . 0 0 "[ ]" 4 6 1 13 ALA N 1 31 ASP O 2.800 2.600 3.200 2.567 2.567 2.567 0.033 1 0 "[ ]" 4 7 1 12 VAL O 1 62 THR H 2.000 . 2.400 2.215 2.215 2.215 . 0 0 "[ ]" 4 8 1 12 VAL O 1 62 THR N 2.800 2.600 3.200 3.071 3.071 3.071 . 0 0 "[ ]" 4 9 1 14 LEU H 1 60 TYR O 2.000 . 2.400 1.841 1.841 1.841 . 0 0 "[ ]" 4 10 1 14 LEU N 1 60 TYR O 2.800 2.600 3.200 2.681 2.681 2.681 . 0 0 "[ ]" 4 11 1 34 PHE H 1 47 ARG O 2.000 . 2.400 1.769 1.769 1.769 0.031 1 0 "[ ]" 4 12 1 34 PHE N 1 47 ARG O 2.800 2.600 3.200 2.702 2.702 2.702 . 0 0 "[ ]" 4 13 1 34 PHE O 1 47 ARG H 2.000 . 2.400 1.931 1.931 1.931 . 0 0 "[ ]" 4 14 1 34 PHE O 1 47 ARG N 2.800 2.600 3.200 2.783 2.783 2.783 . 0 0 "[ ]" 4 15 1 48 ASP H 1 52 GLN O 2.000 . 2.400 2.335 2.335 2.335 . 0 0 "[ ]" 4 16 1 48 ASP N 1 52 GLN O 2.800 2.600 3.200 3.178 3.178 3.178 . 0 0 "[ ]" 4 17 1 46 ALA O 1 54 GLY H 2.000 . 2.400 2.176 2.176 2.176 . 0 0 "[ ]" 4 18 1 46 ALA O 1 54 GLY N 2.800 2.600 3.200 3.074 3.074 3.074 . 0 0 "[ ]" 4 19 1 44 TRP H 1 56 ILE O 2.000 . 2.400 2.313 2.313 2.313 . 0 0 "[ ]" 4 20 1 44 TRP N 1 56 ILE O 2.800 2.600 3.200 3.206 3.206 3.206 0.006 1 0 "[ ]" 4 21 1 42 PRO O 1 58 SER H 2.000 . 2.400 1.784 1.784 1.784 0.016 1 0 "[ ]" 4 22 1 42 PRO O 1 58 SER N 2.800 2.600 3.200 2.603 2.603 2.603 . 0 0 "[ ]" 4 stop_ save_
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