NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
598248 | 2n6l | 25768 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n6l 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 185 _Distance_constraint_stats_list.Viol_count 228 _Distance_constraint_stats_list.Viol_total 50.540 _Distance_constraint_stats_list.Viol_max 0.075 _Distance_constraint_stats_list.Viol_rms 0.0051 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0007 _Distance_constraint_stats_list.Viol_average_violations_only 0.0111 _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 3 LYS 0.017 0.005 20 0 "[ . 1 . 2]" 1 4 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 5 GLY 0.014 0.004 10 0 "[ . 1 . 2]" 1 6 ASP 0.017 0.005 20 0 "[ . 1 . 2]" 1 7 PHE 0.004 0.002 2 0 "[ . 1 . 2]" 1 8 ILE 0.000 0.000 . 0 "[ . 1 . 2]" 1 9 ILE 0.125 0.014 20 0 "[ . 1 . 2]" 1 10 ARG 0.038 0.010 2 0 "[ . 1 . 2]" 1 11 GLY 0.016 0.010 4 0 "[ . 1 . 2]" 1 12 GLY 0.020 0.006 12 0 "[ . 1 . 2]" 1 13 PHE 0.018 0.005 3 0 "[ . 1 . 2]" 1 14 ALA 0.001 0.001 7 0 "[ . 1 . 2]" 1 15 THR 0.002 0.002 6 0 "[ . 1 . 2]" 1 19 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 20 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 21 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 24 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 25 ILE 0.000 0.000 . 0 "[ . 1 . 2]" 1 26 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 27 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 28 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 35 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 36 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 37 ALA 0.001 0.001 4 0 "[ . 1 . 2]" 1 38 THR 0.001 0.001 4 0 "[ . 1 . 2]" 1 39 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 40 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 41 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 42 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 43 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 44 GLN 0.016 0.003 14 0 "[ . 1 . 2]" 1 45 LEU 0.021 0.005 16 0 "[ . 1 . 2]" 1 46 GLY 0.020 0.006 12 0 "[ . 1 . 2]" 1 47 LEU 0.047 0.009 5 0 "[ . 1 . 2]" 1 48 THR 0.038 0.010 2 0 "[ . 1 . 2]" 1 49 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 50 THR 0.047 0.009 5 0 "[ . 1 . 2]" 1 51 TYR 0.024 0.010 16 0 "[ . 1 . 2]" 1 52 MET 0.014 0.004 10 0 "[ . 1 . 2]" 1 53 PHE 0.539 0.045 8 0 "[ . 1 . 2]" 1 54 ALA 1.218 0.075 6 0 "[ . 1 . 2]" 1 55 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 56 LYS 0.539 0.045 8 0 "[ . 1 . 2]" 1 57 TRP 1.218 0.075 6 0 "[ . 1 . 2]" 1 58 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 59 VAL 0.024 0.010 16 0 "[ . 1 . 2]" 1 60 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 61 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 62 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 63 ALA 0.024 0.009 5 0 "[ . 1 . 2]" 1 64 ALA 0.023 0.004 12 0 "[ . 1 . 2]" 1 65 THR 0.035 0.005 16 0 "[ . 1 . 2]" 1 67 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 68 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 71 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 72 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 73 VAL 0.021 0.021 15 0 "[ . 1 . 2]" 1 74 LYS 0.021 0.021 15 0 "[ . 1 . 2]" 1 75 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 76 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 77 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 79 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 80 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 81 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 82 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 83 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 84 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 85 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 86 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 87 ILE 0.000 0.000 . 0 "[ . 1 . 2]" 1 88 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 89 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 90 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 93 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 94 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 95 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 96 LEU 0.019 0.009 11 0 "[ . 1 . 2]" 1 97 GLN 0.021 0.016 11 0 "[ . 1 . 2]" 1 98 TYR 0.012 0.003 6 0 "[ . 1 . 2]" 1 99 TYR 0.056 0.034 13 0 "[ . 1 . 2]" 1 101 MET 0.000 0.000 . 0 "[ . 1 . 2]" 1 102 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 103 GLY 0.014 0.006 9 0 "[ . 1 . 2]" 1 104 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 106 SER 0.014 0.006 9 0 "[ . 1 . 2]" 1 107 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 108 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 109 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 111 TYR 0.008 0.005 1 0 "[ . 1 . 2]" 1 112 GLY 0.065 0.034 13 0 "[ . 1 . 2]" 1 113 GLY 0.008 0.003 10 0 "[ . 1 . 2]" 1 114 LEU 0.021 0.016 11 0 "[ . 1 . 2]" 1 115 GLY 0.019 0.009 11 0 "[ . 1 . 2]" 1 116 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 117 ASN 0.002 0.002 4 0 "[ . 1 . 2]" 1 120 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 121 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 123 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 124 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 125 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 126 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 127 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 128 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 131 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 132 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 140 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 141 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 142 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 143 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 144 TRP 0.000 0.000 . 0 "[ . 1 . 2]" 1 145 GLY 0.002 0.002 4 0 "[ . 1 . 2]" 1 147 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 149 GLU 0.005 0.002 10 0 "[ . 1 . 2]" 1 150 LEU 0.003 0.003 4 0 "[ . 1 . 2]" 1 151 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 152 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 153 ASP 0.018 0.005 1 0 "[ . 1 . 2]" 1 154 TYR 0.005 0.003 13 0 "[ . 1 . 2]" 1 155 MET 0.000 0.000 . 0 "[ . 1 . 2]" 1 156 LEU 0.089 0.018 6 0 "[ . 1 . 2]" 1 157 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 158 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 159 HIS 0.045 0.018 6 0 "[ . 1 . 2]" 1 160 ALA 0.049 0.015 13 0 "[ . 1 . 2]" 1 161 LEU 0.070 0.022 12 0 "[ . 1 . 2]" 1 162 PHE 0.022 0.018 4 0 "[ . 1 . 2]" 1 163 ASN 0.033 0.014 2 0 "[ . 1 . 2]" 1 164 MET 0.010 0.003 2 0 "[ . 1 . 2]" 1 165 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 166 VAL 0.003 0.003 4 0 "[ . 1 . 2]" 1 172 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 173 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 174 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 175 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 177 ILE 0.000 0.000 . 0 "[ . 1 . 2]" 1 178 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 181 SER 0.012 0.012 16 0 "[ . 1 . 2]" 1 182 ALA 0.012 0.012 16 0 "[ . 1 . 2]" 1 183 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 184 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 185 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 190 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 191 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 192 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 193 ASP 0.009 0.009 17 0 "[ . 1 . 2]" 1 194 VAL 0.009 0.009 17 0 "[ . 1 . 2]" 1 195 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 199 TYR 0.002 0.002 6 0 "[ . 1 . 2]" 1 200 MET 0.000 0.000 . 0 "[ . 1 . 2]" 1 201 ILE 0.009 0.004 4 0 "[ . 1 . 2]" 1 202 GLY 0.027 0.014 2 0 "[ . 1 . 2]" 1 203 PHE 0.006 0.006 14 0 "[ . 1 . 2]" 1 204 GLY 0.041 0.018 4 0 "[ . 1 . 2]" 1 205 TYR 0.070 0.022 12 0 "[ . 1 . 2]" 1 206 LYS 0.077 0.014 20 0 "[ . 1 . 2]" 1 207 PHE 0.004 0.002 2 0 "[ . 1 . 2]" 1 208 LEU 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 3 LYS H 1 4 ALA H 1.800 . 5.000 4.384 4.315 4.506 . 0 0 "[ . 1 . 2]" 1 2 1 5 GLY H 1 6 ASP H 1.800 . 5.000 2.151 1.983 2.372 . 0 0 "[ . 1 . 2]" 1 3 1 5 GLY H 1 52 MET H 1.800 . 5.000 4.858 4.540 5.004 0.004 10 0 "[ . 1 . 2]" 1 4 1 6 ASP H 1 52 MET H 1.800 . 5.000 3.839 3.628 4.073 . 0 0 "[ . 1 . 2]" 1 5 1 8 ILE H 1 50 THR H 1.800 . 5.000 3.738 2.889 4.212 . 0 0 "[ . 1 . 2]" 1 6 1 9 ILE H 1 205 TYR H 1.800 . 5.000 3.365 2.490 3.917 . 0 0 "[ . 1 . 2]" 1 7 1 10 ARG H 1 48 THR H 1.800 . 3.500 3.423 3.243 3.510 0.010 2 0 "[ . 1 . 2]" 1 8 1 10 ARG H 1 205 TYR H 1.800 . 6.000 4.956 4.494 5.362 . 0 0 "[ . 1 . 2]" 1 9 1 11 GLY H 1 12 GLY H 1.800 . 5.000 4.357 3.915 4.596 . 0 0 "[ . 1 . 2]" 1 10 1 12 GLY H 1 46 GLY H 1.800 . 3.500 3.421 3.174 3.506 0.006 12 0 "[ . 1 . 2]" 1 11 1 12 GLY H 1 13 PHE H 1.800 . 5.000 4.275 3.900 4.529 . 0 0 "[ . 1 . 2]" 1 12 1 12 GLY H 1 47 LEU H 1.800 . 5.000 4.678 4.055 4.955 . 0 0 "[ . 1 . 2]" 1 13 1 13 PHE H 1 202 GLY H 1.800 . 5.000 4.897 4.431 5.005 0.005 3 0 "[ . 1 . 2]" 1 14 1 14 ALA H 1 44 GLN H 1.800 . 5.000 4.596 2.879 5.001 0.001 7 0 "[ . 1 . 2]" 1 15 1 19 ASP H 1 20 ASP H 1.800 . 5.000 3.467 1.999 4.556 . 0 0 "[ . 1 . 2]" 1 16 1 20 ASP H 1 21 SER H 1.800 . 5.000 2.453 2.119 2.798 . 0 0 "[ . 1 . 2]" 1 17 1 25 ILE H 1 26 LYS H 1.800 . 5.000 3.605 1.994 4.616 . 0 0 "[ . 1 . 2]" 1 18 1 27 LEU H 1 28 ASP H 1.800 . 5.000 3.512 2.049 4.635 . 0 0 "[ . 1 . 2]" 1 19 1 38 THR H 1 39 VAL H 1.800 . 5.000 3.891 2.314 4.558 . 0 0 "[ . 1 . 2]" 1 20 1 42 ASP H 1 43 THR H 1.800 . 5.000 3.505 2.069 4.604 . 0 0 "[ . 1 . 2]" 1 21 1 45 LEU H 1 65 THR H 1.800 . 3.500 3.362 2.844 3.505 0.005 16 0 "[ . 1 . 2]" 1 22 1 46 GLY H 1 47 LEU H 1.800 . 5.000 4.362 4.003 4.593 . 0 0 "[ . 1 . 2]" 1 23 1 13 PHE H 1 46 GLY H 1.800 . 6.000 5.168 4.385 5.537 . 0 0 "[ . 1 . 2]" 1 24 1 47 LEU H 1 48 THR H 1.800 . 5.000 4.422 4.272 4.551 . 0 0 "[ . 1 . 2]" 1 25 1 48 THR H 1 49 PHE H 1.800 . 5.000 4.332 4.245 4.405 . 0 0 "[ . 1 . 2]" 1 26 1 48 THR H 1 63 ALA H 1.800 . 6.000 5.213 4.568 5.554 . 0 0 "[ . 1 . 2]" 1 27 1 51 TYR H 1 52 MET H 1.800 . 6.000 4.106 3.914 4.372 . 0 0 "[ . 1 . 2]" 1 28 1 51 TYR H 1 59 VAL H 1.800 . 3.500 3.182 2.675 3.510 0.010 16 0 "[ . 1 . 2]" 1 29 1 52 MET H 1 53 PHE H 1.800 . 6.000 4.528 4.455 4.585 . 0 0 "[ . 1 . 2]" 1 30 1 54 ALA H 1 57 TRP H 1.800 . 5.000 5.061 5.044 5.075 0.075 6 0 "[ . 1 . 2]" 1 31 1 54 ALA H 1 56 LYS H 1.800 . 5.000 4.978 4.918 4.994 . 0 0 "[ . 1 . 2]" 1 32 1 54 ALA H 1 55 ASP H 1.800 . 5.000 4.579 4.531 4.603 . 0 0 "[ . 1 . 2]" 1 33 1 55 ASP H 1 56 LYS H 1.800 . 5.000 2.925 2.836 3.203 . 0 0 "[ . 1 . 2]" 1 34 1 57 TRP H 1 58 GLY H 1.800 . 5.000 4.558 4.526 4.589 . 0 0 "[ . 1 . 2]" 1 35 1 59 VAL H 1 97 GLN H 1.800 . 5.000 4.628 3.994 4.823 . 0 0 "[ . 1 . 2]" 1 36 1 58 GLY H 1 59 VAL H 1.800 . 5.000 3.963 3.523 4.377 . 0 0 "[ . 1 . 2]" 1 37 1 59 VAL H 1 60 GLU H 1.800 . 5.000 4.478 4.280 4.557 . 0 0 "[ . 1 . 2]" 1 38 1 60 GLU H 1 95 LEU H 1.800 . 5.000 3.781 3.287 4.229 . 0 0 "[ . 1 . 2]" 1 39 1 72 ASP H 1 73 VAL H 1.800 . 5.000 3.960 1.999 4.587 . 0 0 "[ . 1 . 2]" 1 40 1 73 VAL H 1 74 LYS H 1.800 . 3.500 2.446 1.988 3.521 0.021 15 0 "[ . 1 . 2]" 1 41 1 75 GLY H 1 76 LEU H 1.800 . 3.500 2.626 1.957 3.345 . 0 0 "[ . 1 . 2]" 1 42 1 76 LEU H 1 77 GLY H 1.800 . 5.000 3.980 2.063 4.641 . 0 0 "[ . 1 . 2]" 1 43 1 80 LEU H 1 81 ASP H 1.800 . 5.000 3.515 1.995 4.597 . 0 0 "[ . 1 . 2]" 1 44 1 81 ASP H 1 82 GLY H 1.800 . 5.000 3.866 2.314 4.620 . 0 0 "[ . 1 . 2]" 1 45 1 83 LYS H 1 84 LEU H 1.800 . 5.000 3.603 1.902 4.619 . 0 0 "[ . 1 . 2]" 1 46 1 85 ALA H 1 86 ASP H 1.800 . 5.000 3.924 1.998 4.617 . 0 0 "[ . 1 . 2]" 1 47 1 89 GLN H 1 90 LEU H 1.800 . 5.000 4.292 3.691 4.615 . 0 0 "[ . 1 . 2]" 1 48 1 94 LEU H 1 116 VAL H 1.800 . 5.000 4.462 4.011 4.990 . 0 0 "[ . 1 . 2]" 1 49 1 96 LEU H 1 114 LEU H 1.800 . 5.000 3.268 2.482 4.337 . 0 0 "[ . 1 . 2]" 1 50 1 96 LEU H 1 115 GLY H 1.800 . 5.000 4.777 4.364 5.009 0.009 11 0 "[ . 1 . 2]" 1 51 1 98 TYR H 1 113 GLY H 1.800 . 5.000 4.614 3.673 5.003 0.003 10 0 "[ . 1 . 2]" 1 52 1 101 MET H 1 102 GLY H 1.800 . 5.000 2.606 2.249 2.874 . 0 0 "[ . 1 . 2]" 1 53 1 109 GLN H 1 155 MET H 1.800 . 6.000 5.292 4.382 5.907 . 0 0 "[ . 1 . 2]" 1 54 1 111 TYR H 1 151 GLY H 1.800 . 3.500 3.063 2.357 3.483 . 0 0 "[ . 1 . 2]" 1 55 1 111 TYR H 1 153 ASP H 1.800 . 5.000 4.693 4.208 5.005 0.005 1 0 "[ . 1 . 2]" 1 56 1 112 GLY H 1 113 GLY H 1.800 . 5.000 4.455 4.205 4.635 . 0 0 "[ . 1 . 2]" 1 57 1 113 GLY H 1 149 GLU H 1.800 . 3.500 3.241 2.760 3.502 0.002 10 0 "[ . 1 . 2]" 1 58 1 115 GLY H 1 147 ALA H 1.800 . 5.000 3.458 2.230 4.956 . 0 0 "[ . 1 . 2]" 1 59 1 124 GLU H 1 125 ASP H 1.800 . 5.000 2.331 2.091 2.702 . 0 0 "[ . 1 . 2]" 1 60 1 125 ASP H 1 126 LEU H 1.800 . 3.500 2.656 2.469 2.910 . 0 0 "[ . 1 . 2]" 1 61 1 131 LYS H 1 132 ALA H 1.800 . 5.000 3.547 2.014 4.641 . 0 0 "[ . 1 . 2]" 1 62 1 140 LEU H 1 141 GLN H 1.800 . 5.000 3.523 1.992 4.615 . 0 0 "[ . 1 . 2]" 1 63 1 142 ASP H 1 143 SER H 1.800 . 3.500 2.598 1.990 3.499 . 0 0 "[ . 1 . 2]" 1 64 1 143 SER H 1 144 TRP H 1.800 . 5.000 3.396 1.998 4.586 . 0 0 "[ . 1 . 2]" 1 65 1 150 LEU H 1 166 VAL H 1.800 . 3.500 3.214 2.719 3.503 0.003 4 0 "[ . 1 . 2]" 1 66 1 154 TYR H 1 155 MET H 1.800 . 5.000 4.214 3.840 4.459 . 0 0 "[ . 1 . 2]" 1 67 1 154 TYR H 1 162 PHE H 1.800 . 5.000 3.085 2.538 3.990 . 0 0 "[ . 1 . 2]" 1 68 1 154 TYR H 1 163 ASN H 1.800 . 5.000 4.862 4.675 5.003 0.003 13 0 "[ . 1 . 2]" 1 69 1 155 MET H 1 162 PHE H 1.800 . 6.000 4.907 4.562 5.295 . 0 0 "[ . 1 . 2]" 1 70 1 156 LEU H 1 157 ASN H 1.800 . 5.000 2.052 1.973 2.237 . 0 0 "[ . 1 . 2]" 1 71 1 156 LEU H 1 160 ALA H 1.800 . 5.000 4.851 4.322 5.015 0.015 13 0 "[ . 1 . 2]" 1 72 1 156 LEU H 1 159 HIS H 1.800 . 5.000 4.728 4.490 5.018 0.018 6 0 "[ . 1 . 2]" 1 73 1 157 ASN H 1 159 HIS H 1.800 . 5.000 3.972 3.684 4.299 . 0 0 "[ . 1 . 2]" 1 74 1 158 GLU H 1 159 HIS H 1.800 . 5.000 2.543 2.369 2.736 . 0 0 "[ . 1 . 2]" 1 75 1 158 GLU H 1 160 ALA H 1.800 . 5.000 4.119 3.497 4.361 . 0 0 "[ . 1 . 2]" 1 76 1 159 HIS H 1 160 ALA H 1.800 . 5.000 2.610 1.798 2.938 0.002 17 0 "[ . 1 . 2]" 1 77 1 161 LEU H 1 204 GLY H 1.800 . 3.500 2.716 2.137 3.110 . 0 0 "[ . 1 . 2]" 1 78 1 163 ASN H 1 164 MET H 1.800 . 5.000 4.371 4.150 4.569 . 0 0 "[ . 1 . 2]" 1 79 1 163 ASN H 1 202 GLY H 1.800 . 3.500 3.376 3.116 3.514 0.014 2 0 "[ . 1 . 2]" 1 80 1 163 ASN H 1 203 PHE H 1.800 . 5.000 4.659 4.041 4.967 . 0 0 "[ . 1 . 2]" 1 81 1 163 ASN H 1 204 GLY H 1.800 . 5.000 4.802 3.980 5.003 0.003 2 0 "[ . 1 . 2]" 1 82 1 173 THR H 1 174 LYS H 1.800 . 5.000 3.602 2.014 4.628 . 0 0 "[ . 1 . 2]" 1 83 1 174 LYS H 1 175 ALA H 1.800 . 3.500 2.557 1.996 3.432 . 0 0 "[ . 1 . 2]" 1 84 1 177 ILE H 1 178 ASN H 1.800 . 5.000 4.305 3.628 4.625 . 0 0 "[ . 1 . 2]" 1 85 1 192 VAL H 1 193 ASP H 1.800 . 3.500 2.591 1.991 3.406 . 0 0 "[ . 1 . 2]" 1 86 1 193 ASP H 1 194 VAL H 1.800 . 3.500 2.833 2.006 3.509 0.009 17 0 "[ . 1 . 2]" 1 87 1 194 VAL H 1 195 ASP H 1.800 . 5.000 3.564 1.998 4.599 . 0 0 "[ . 1 . 2]" 1 88 1 202 GLY H 1 203 PHE H 1.800 . 5.000 4.350 4.313 4.405 . 0 0 "[ . 1 . 2]" 1 89 1 3 LYS H 1 6 ASP H 1.800 . 5.000 4.890 4.231 5.005 0.005 20 0 "[ . 1 . 2]" 1 90 1 4 ALA H 1 5 GLY H 1.800 . 6.000 4.552 4.446 4.630 . 0 0 "[ . 1 . 2]" 1 91 1 6 ASP H 1 7 PHE H 1.800 . 6.000 4.586 4.501 4.631 . 0 0 "[ . 1 . 2]" 1 92 1 7 PHE H 1 207 PHE H 1.800 . 5.000 4.783 3.987 5.002 0.002 2 0 "[ . 1 . 2]" 1 93 1 7 PHE H 1 8 ILE H 1.800 . 6.000 4.406 4.224 4.529 . 0 0 "[ . 1 . 2]" 1 94 1 8 ILE H 1 9 ILE H 1.800 . 5.000 4.365 4.182 4.466 . 0 0 "[ . 1 . 2]" 1 95 1 9 ILE H 1 206 LYS H 1.800 . 5.000 4.989 4.768 5.014 0.014 20 0 "[ . 1 . 2]" 1 96 1 9 ILE H 1 50 THR H 1.800 . 5.000 4.947 4.596 5.009 0.009 5 0 "[ . 1 . 2]" 1 97 1 10 ARG H 1 11 GLY H 1.800 . 5.000 4.350 4.202 4.528 . 0 0 "[ . 1 . 2]" 1 98 1 10 ARG H 1 49 PHE H 1.800 . 6.000 5.168 4.693 5.558 . 0 0 "[ . 1 . 2]" 1 99 1 11 GLY H 1 203 PHE H 1.800 . 3.500 3.140 2.266 3.506 0.006 14 0 "[ . 1 . 2]" 1 100 1 11 GLY H 1 204 GLY H 1.800 . 5.000 4.713 4.113 5.010 0.010 4 0 "[ . 1 . 2]" 1 101 1 13 PHE H 1 201 ILE H 1.800 . 3.500 3.181 2.412 3.504 0.004 4 0 "[ . 1 . 2]" 1 102 1 13 PHE H 1 14 ALA H 1.800 . 5.000 4.327 3.887 4.453 . 0 0 "[ . 1 . 2]" 1 103 1 14 ALA H 1 46 GLY H 1.800 . 6.000 5.357 4.096 6.000 . 0 0 "[ . 1 . 2]" 1 104 1 15 THR H 1 199 TYR H 1.800 . 3.500 3.297 2.820 3.502 0.002 6 0 "[ . 1 . 2]" 1 105 1 24 ASP H 1 25 ILE H 1.800 . 5.000 3.642 2.000 4.487 . 0 0 "[ . 1 . 2]" 1 106 1 35 THR H 1 36 LYS H 1.800 . 5.000 3.671 1.998 4.616 . 0 0 "[ . 1 . 2]" 1 107 1 37 ALA H 1 38 THR H 1.800 . 3.500 2.657 2.000 3.501 0.001 4 0 "[ . 1 . 2]" 1 108 1 39 VAL H 1 40 ASP H 1.800 . 3.500 2.376 1.994 3.298 . 0 0 "[ . 1 . 2]" 1 109 1 40 ASP H 1 41 SER H 1.800 . 5.000 3.899 2.652 4.561 . 0 0 "[ . 1 . 2]" 1 110 1 41 SER H 1 42 ASP H 1.800 . 3.500 2.379 2.020 2.827 . 0 0 "[ . 1 . 2]" 1 111 1 47 LEU H 1 63 ALA H 1.800 . 3.500 3.364 2.989 3.509 0.009 5 0 "[ . 1 . 2]" 1 112 1 47 LEU H 1 64 ALA H 1.800 . 5.000 4.937 4.621 5.004 0.004 12 0 "[ . 1 . 2]" 1 113 1 49 PHE H 1 61 LEU H 1.800 . 3.500 2.623 2.195 3.013 . 0 0 "[ . 1 . 2]" 1 114 1 49 PHE H 1 50 THR H 1.800 . 6.000 4.180 3.959 4.393 . 0 0 "[ . 1 . 2]" 1 115 1 50 THR H 1 51 TYR H 1.800 . 5.000 4.475 4.266 4.553 . 0 0 "[ . 1 . 2]" 1 116 1 50 THR H 1 61 LEU H 1.800 . 6.000 4.862 4.440 5.257 . 0 0 "[ . 1 . 2]" 1 117 1 53 PHE H 1 59 VAL H 1.800 . 6.000 4.540 4.033 4.783 . 0 0 "[ . 1 . 2]" 1 118 1 53 PHE H 1 56 LYS H 1.800 . 5.000 5.018 4.820 5.045 0.045 8 0 "[ . 1 . 2]" 1 119 1 53 PHE H 1 57 TRP H 1.800 . 5.000 4.500 3.810 4.643 . 0 0 "[ . 1 . 2]" 1 120 1 55 ASP H 1 57 TRP H 1.800 . 5.000 4.334 4.216 4.705 . 0 0 "[ . 1 . 2]" 1 121 1 56 LYS H 1 57 TRP H 1.800 . 3.500 1.848 1.820 1.969 . 0 0 "[ . 1 . 2]" 1 122 1 57 TRP H 1 99 TYR H 1.800 . 6.000 5.223 4.854 5.611 . 0 0 "[ . 1 . 2]" 1 123 1 58 GLY H 1 97 GLN H 1.800 . 5.000 3.870 3.593 4.056 . 0 0 "[ . 1 . 2]" 1 124 1 60 GLU H 1 61 LEU H 1.800 . 5.000 4.303 4.023 4.445 . 0 0 "[ . 1 . 2]" 1 125 1 51 TYR H 1 60 GLU H 1.800 . 6.000 4.739 4.489 5.262 . 0 0 "[ . 1 . 2]" 1 126 1 62 VAL H 1 93 THR H 1.800 . 5.000 4.288 3.240 5.000 . 0 0 "[ . 1 . 2]" 1 127 1 63 ALA H 1 64 ALA H 1.800 . 5.000 4.192 3.928 4.402 . 0 0 "[ . 1 . 2]" 1 128 1 64 ALA H 1 65 THR H 1.800 . 5.000 4.464 4.341 4.546 . 0 0 "[ . 1 . 2]" 1 129 1 44 GLN H 1 65 THR H 1.800 . 6.000 5.902 5.613 6.003 0.003 14 0 "[ . 1 . 2]" 1 130 1 67 PHE H 1 68 ASN H 1.800 . 5.000 3.722 1.997 4.570 . 0 0 "[ . 1 . 2]" 1 131 1 71 VAL H 1 72 ASP H 1.800 . 5.000 3.431 1.987 4.544 . 0 0 "[ . 1 . 2]" 1 132 1 79 GLY H 1 80 LEU H 1.800 . 5.000 3.596 1.994 4.613 . 0 0 "[ . 1 . 2]" 1 133 1 82 GLY H 1 83 LYS H 1.800 . 5.000 3.560 2.019 4.583 . 0 0 "[ . 1 . 2]" 1 134 1 86 ASP H 1 87 ILE H 1.800 . 5.000 3.892 2.620 4.629 . 0 0 "[ . 1 . 2]" 1 135 1 87 ILE H 1 88 LYS H 1.800 . 5.000 3.731 1.950 4.619 . 0 0 "[ . 1 . 2]" 1 136 1 88 LYS H 1 89 GLN H 1.800 . 5.000 3.549 2.000 4.528 . 0 0 "[ . 1 . 2]" 1 137 1 94 LEU H 1 95 LEU H 1.800 . 5.000 4.491 4.375 4.567 . 0 0 "[ . 1 . 2]" 1 138 1 95 LEU H 1 96 LEU H 1.800 . 6.000 4.296 4.101 4.427 . 0 0 "[ . 1 . 2]" 1 139 1 96 LEU H 1 97 GLN H 1.800 . 5.000 4.517 4.348 4.606 . 0 0 "[ . 1 . 2]" 1 140 1 97 GLN H 1 114 LEU H 1.800 . 5.000 4.925 4.742 5.016 0.016 11 0 "[ . 1 . 2]" 1 141 1 97 GLN H 1 98 TYR H 1.800 . 5.000 4.395 4.168 4.518 . 0 0 "[ . 1 . 2]" 1 142 1 98 TYR H 1 99 TYR H 1.800 . 5.000 4.360 4.181 4.509 . 0 0 "[ . 1 . 2]" 1 143 1 98 TYR H 1 112 GLY H 1.800 . 3.500 3.158 2.495 3.503 0.003 6 0 "[ . 1 . 2]" 1 144 1 99 TYR H 1 112 GLY H 1.800 . 5.000 4.980 4.827 5.034 0.034 13 0 "[ . 1 . 2]" 1 145 1 102 GLY H 1 103 GLY H 1.800 . 5.000 4.410 4.099 4.625 . 0 0 "[ . 1 . 2]" 1 146 1 103 GLY H 1 104 THR H 1.800 . 5.000 2.124 1.990 2.523 . 0 0 "[ . 1 . 2]" 1 147 1 104 THR H 1 106 SER H 1.800 . 5.000 4.149 3.870 4.636 . 0 0 "[ . 1 . 2]" 1 148 1 106 SER H 1 107 ALA H 1.800 . 5.100 4.595 4.510 4.634 . 0 0 "[ . 1 . 2]" 1 149 1 103 GLY H 1 106 SER H 1.800 . 6.000 5.866 5.484 6.006 0.006 9 0 "[ . 1 . 2]" 1 150 1 107 ALA H 1 108 PHE H 1.800 . 5.000 2.618 2.231 2.968 . 0 0 "[ . 1 . 2]" 1 151 1 108 PHE H 1 109 GLN H 1.800 . 6.000 4.499 4.343 4.606 . 0 0 "[ . 1 . 2]" 1 152 1 109 GLN H 1 153 ASP H 1.800 . 5.000 3.319 2.263 4.164 . 0 0 "[ . 1 . 2]" 1 153 1 109 GLN H 1 154 TYR H 1.800 . 6.000 5.263 4.759 5.612 . 0 0 "[ . 1 . 2]" 1 154 1 111 TYR H 1 112 GLY H 1.800 . 5.000 4.266 3.755 4.482 . 0 0 "[ . 1 . 2]" 1 155 1 114 LEU H 1 115 GLY H 1.800 . 5.000 4.356 4.197 4.476 . 0 0 "[ . 1 . 2]" 1 156 1 115 GLY H 1 116 VAL H 1.800 . 5.000 4.489 4.197 4.594 . 0 0 "[ . 1 . 2]" 1 157 1 117 ASN H 1 145 GLY H 1.800 . 5.000 4.423 2.744 5.002 0.002 4 0 "[ . 1 . 2]" 1 158 1 120 THR H 1 121 PHE H 1.800 . 5.000 3.636 2.219 4.598 . 0 0 "[ . 1 . 2]" 1 159 1 123 ASP H 1 124 GLU H 1.800 . 5.000 3.421 1.994 4.637 . 0 0 "[ . 1 . 2]" 1 160 1 127 ALA H 1 128 SER H 1.800 . 5.000 2.636 2.338 2.801 . 0 0 "[ . 1 . 2]" 1 161 1 144 TRP H 1 145 GLY H 1.800 . 6.000 4.412 3.969 4.620 . 0 0 "[ . 1 . 2]" 1 162 1 152 PHE H 1 164 MET H 1.800 . 5.000 2.658 2.174 3.590 . 0 0 "[ . 1 . 2]" 1 163 1 152 PHE H 1 153 ASP H 1.800 . 5.000 4.190 3.843 4.499 . 0 0 "[ . 1 . 2]" 1 164 1 153 ASP H 1 154 TYR H 1.800 . 5.000 4.465 4.254 4.588 . 0 0 "[ . 1 . 2]" 1 165 1 153 ASP H 1 164 MET H 1.800 . 5.000 4.860 4.615 5.003 0.003 2 0 "[ . 1 . 2]" 1 166 1 155 MET H 1 156 LEU H 1.800 . 5.000 4.415 4.190 4.566 . 0 0 "[ . 1 . 2]" 1 167 1 157 ASN H 1 158 GLU H 1.800 . 5.000 3.697 2.649 3.994 . 0 0 "[ . 1 . 2]" 1 168 1 156 LEU H 1 158 GLU H 1.800 . 6.000 5.130 4.092 5.540 . 0 0 "[ . 1 . 2]" 1 169 1 160 ALA H 1 161 LEU H 1.800 . 6.000 4.480 4.065 4.659 . 0 0 "[ . 1 . 2]" 1 170 1 161 LEU H 1 162 PHE H 1.800 . 5.000 4.410 4.277 4.488 . 0 0 "[ . 1 . 2]" 1 171 1 161 LEU H 1 205 TYR H 1.800 . 5.000 4.981 4.844 5.022 0.022 12 0 "[ . 1 . 2]" 1 172 1 162 PHE H 1 163 ASN H 1.800 . 5.000 4.435 4.186 4.567 . 0 0 "[ . 1 . 2]" 1 173 1 162 PHE H 1 204 GLY H 1.800 . 5.000 4.830 4.195 5.018 0.018 4 0 "[ . 1 . 2]" 1 174 1 165 ALA H 1 200 MET H 1.800 . 5.000 3.467 2.897 3.992 . 0 0 "[ . 1 . 2]" 1 175 1 172 ASP H 1 173 THR H 1.800 . 5.000 3.674 1.968 4.596 . 0 0 "[ . 1 . 2]" 1 176 1 181 SER H 1 182 ALA H 1.800 . 3.500 2.556 1.994 3.512 0.012 16 0 "[ . 1 . 2]" 1 177 1 183 LEU H 1 184 GLY H 1.800 . 5.000 3.967 2.081 4.558 . 0 0 "[ . 1 . 2]" 1 178 1 184 GLY H 1 185 VAL H 1.800 . 5.000 3.632 2.056 4.619 . 0 0 "[ . 1 . 2]" 1 179 1 190 VAL H 1 191 ASP H 1.800 . 5.000 3.622 1.981 4.528 . 0 0 "[ . 1 . 2]" 1 180 1 191 ASP H 1 192 VAL H 1.800 . 3.500 2.600 1.986 3.425 . 0 0 "[ . 1 . 2]" 1 181 1 201 ILE H 1 202 GLY H 1.800 . 5.000 4.332 4.091 4.421 . 0 0 "[ . 1 . 2]" 1 182 1 204 GLY H 1 205 TYR H 1.800 . 5.000 4.359 4.253 4.449 . 0 0 "[ . 1 . 2]" 1 183 1 205 TYR H 1 206 LYS H 1.800 . 5.000 4.295 4.041 4.465 . 0 0 "[ . 1 . 2]" 1 184 1 206 LYS H 1 207 PHE H 1.800 . 6.000 4.482 4.243 4.571 . 0 0 "[ . 1 . 2]" 1 185 1 207 PHE H 1 208 LEU H 1.800 . 5.000 4.521 4.379 4.615 . 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 106 _Distance_constraint_stats_list.Viol_count 147 _Distance_constraint_stats_list.Viol_total 11.471 _Distance_constraint_stats_list.Viol_max 0.016 _Distance_constraint_stats_list.Viol_rms 0.0013 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0003 _Distance_constraint_stats_list.Viol_average_violations_only 0.0039 _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 ASP 0.112 0.016 2 0 "[ . 1 . 2]" 1 8 ILE 0.008 0.004 14 0 "[ . 1 . 2]" 1 9 ILE 0.003 0.003 9 0 "[ . 1 . 2]" 1 10 ARG 0.006 0.003 19 0 "[ . 1 . 2]" 1 11 GLY 0.018 0.006 12 0 "[ . 1 . 2]" 1 12 GLY 0.009 0.007 12 0 "[ . 1 . 2]" 1 13 PHE 0.003 0.002 13 0 "[ . 1 . 2]" 1 46 GLY 0.009 0.007 12 0 "[ . 1 . 2]" 1 47 LEU 0.002 0.001 7 0 "[ . 1 . 2]" 1 48 THR 0.006 0.003 19 0 "[ . 1 . 2]" 1 49 PHE 0.017 0.004 15 0 "[ . 1 . 2]" 1 50 THR 0.008 0.004 14 0 "[ . 1 . 2]" 1 51 TYR 0.043 0.015 18 0 "[ . 1 . 2]" 1 52 MET 0.112 0.016 2 0 "[ . 1 . 2]" 1 53 PHE 0.000 0.000 1 0 "[ . 1 . 2]" 1 56 LYS 0.065 0.012 5 0 "[ . 1 . 2]" 1 57 TRP 0.000 0.000 1 0 "[ . 1 . 2]" 1 58 GLY 0.115 0.015 18 0 "[ . 1 . 2]" 1 59 VAL 0.043 0.015 18 0 "[ . 1 . 2]" 1 60 GLU 0.011 0.004 9 0 "[ . 1 . 2]" 1 61 LEU 0.017 0.004 15 0 "[ . 1 . 2]" 1 62 VAL 0.007 0.004 15 0 "[ . 1 . 2]" 1 63 ALA 0.002 0.001 7 0 "[ . 1 . 2]" 1 93 THR 0.007 0.004 15 0 "[ . 1 . 2]" 1 94 LEU 0.010 0.004 10 0 "[ . 1 . 2]" 1 95 LEU 0.011 0.004 9 0 "[ . 1 . 2]" 1 96 LEU 0.004 0.004 13 0 "[ . 1 . 2]" 1 97 GLN 0.115 0.015 18 0 "[ . 1 . 2]" 1 98 TYR 0.022 0.008 11 0 "[ . 1 . 2]" 1 99 TYR 0.065 0.012 5 0 "[ . 1 . 2]" 1 109 GLN 0.033 0.009 1 0 "[ . 1 . 2]" 1 111 TYR 0.004 0.002 3 0 "[ . 1 . 2]" 1 112 GLY 0.022 0.008 11 0 "[ . 1 . 2]" 1 113 GLY 0.015 0.008 11 0 "[ . 1 . 2]" 1 114 LEU 0.004 0.004 13 0 "[ . 1 . 2]" 1 115 GLY 0.003 0.002 15 0 "[ . 1 . 2]" 1 116 VAL 0.010 0.004 10 0 "[ . 1 . 2]" 1 147 ALA 0.003 0.002 15 0 "[ . 1 . 2]" 1 149 GLU 0.015 0.008 11 0 "[ . 1 . 2]" 1 150 LEU 0.003 0.002 13 0 "[ . 1 . 2]" 1 151 GLY 0.004 0.002 3 0 "[ . 1 . 2]" 1 152 PHE 0.011 0.003 12 0 "[ . 1 . 2]" 1 153 ASP 0.033 0.009 1 0 "[ . 1 . 2]" 1 154 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 156 LEU 0.019 0.008 2 0 "[ . 1 . 2]" 1 160 ALA 0.019 0.008 2 0 "[ . 1 . 2]" 1 161 LEU 0.003 0.003 3 0 "[ . 1 . 2]" 1 162 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 163 ASN 0.011 0.006 4 0 "[ . 1 . 2]" 1 164 MET 0.011 0.003 12 0 "[ . 1 . 2]" 1 165 ALA 0.015 0.003 5 0 "[ . 1 . 2]" 1 166 VAL 0.003 0.002 13 0 "[ . 1 . 2]" 1 200 MET 0.015 0.003 5 0 "[ . 1 . 2]" 1 201 ILE 0.003 0.002 13 0 "[ . 1 . 2]" 1 202 GLY 0.011 0.006 4 0 "[ . 1 . 2]" 1 203 PHE 0.018 0.006 12 0 "[ . 1 . 2]" 1 204 GLY 0.003 0.003 3 0 "[ . 1 . 2]" 1 205 TYR 0.003 0.003 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 6 ASP N 1 52 MET O 2.800 2.400 3.500 3.320 3.175 3.426 . 0 0 "[ . 1 . 2]" 2 2 1 6 ASP H 1 52 MET O 1.800 . 2.500 2.502 2.432 2.516 0.016 2 0 "[ . 1 . 2]" 2 3 1 6 ASP O 1 52 MET N 2.800 2.400 3.500 3.136 2.646 3.401 . 0 0 "[ . 1 . 2]" 2 4 1 6 ASP O 1 52 MET H 1.800 . 2.500 2.344 1.856 2.502 0.002 17 0 "[ . 1 . 2]" 2 5 1 8 ILE N 1 50 THR O 2.800 2.400 3.500 3.073 2.786 3.377 . 0 0 "[ . 1 . 2]" 2 6 1 8 ILE H 1 50 THR O 1.800 . 2.500 2.287 1.927 2.504 0.004 14 0 "[ . 1 . 2]" 2 7 1 8 ILE O 1 50 THR N 2.800 2.400 3.500 3.073 2.662 3.427 . 0 0 "[ . 1 . 2]" 2 8 1 8 ILE O 1 50 THR H 1.800 . 2.500 2.232 1.867 2.501 0.001 19 0 "[ . 1 . 2]" 2 9 1 9 ILE N 1 205 TYR O 2.800 2.400 3.500 3.051 2.749 3.436 . 0 0 "[ . 1 . 2]" 2 10 1 9 ILE H 1 205 TYR O 1.800 . 2.500 2.138 1.892 2.503 0.003 9 0 "[ . 1 . 2]" 2 11 1 9 ILE O 1 205 TYR N 2.800 2.400 3.500 2.862 2.583 3.121 . 0 0 "[ . 1 . 2]" 2 12 1 9 ILE O 1 205 TYR H 1.800 . 2.500 2.017 1.725 2.379 . 0 0 "[ . 1 . 2]" 2 13 1 10 ARG N 1 48 THR O 2.800 2.400 3.500 3.019 2.657 3.385 . 0 0 "[ . 1 . 2]" 2 14 1 10 ARG H 1 48 THR O 1.800 . 2.500 2.143 1.712 2.503 0.003 19 0 "[ . 1 . 2]" 2 15 1 10 ARG O 1 48 THR N 2.800 2.400 3.500 2.879 2.587 3.474 . 0 0 "[ . 1 . 2]" 2 16 1 10 ARG O 1 48 THR H 1.800 . 2.500 2.064 1.809 2.502 0.002 4 0 "[ . 1 . 2]" 2 17 1 11 GLY N 1 203 PHE O 2.800 2.400 3.500 2.858 2.600 3.460 . 0 0 "[ . 1 . 2]" 2 18 1 11 GLY H 1 203 PHE O 1.800 . 2.500 1.956 1.662 2.489 . 0 0 "[ . 1 . 2]" 2 19 1 11 GLY O 1 203 PHE N 2.800 2.400 3.500 2.952 2.595 3.275 . 0 0 "[ . 1 . 2]" 2 20 1 11 GLY O 1 203 PHE H 1.800 . 2.500 2.186 1.673 2.506 0.006 12 0 "[ . 1 . 2]" 2 21 1 12 GLY N 1 46 GLY O 2.800 2.400 3.500 2.823 2.586 3.164 . 0 0 "[ . 1 . 2]" 2 22 1 12 GLY H 1 46 GLY O 1.800 . 2.500 1.979 1.679 2.499 . 0 0 "[ . 1 . 2]" 2 23 1 12 GLY O 1 46 GLY N 2.800 2.400 3.500 2.926 2.594 3.438 . 0 0 "[ . 1 . 2]" 2 24 1 12 GLY O 1 46 GLY H 1.800 . 2.500 2.201 1.785 2.507 0.007 12 0 "[ . 1 . 2]" 2 25 1 13 PHE N 1 201 ILE O 2.800 2.400 3.500 2.928 2.588 3.281 . 0 0 "[ . 1 . 2]" 2 26 1 13 PHE H 1 201 ILE O 1.800 . 2.500 2.079 1.819 2.500 0.000 2 0 "[ . 1 . 2]" 2 27 1 13 PHE O 1 201 ILE N 2.800 2.400 3.500 3.290 2.994 3.479 . 0 0 "[ . 1 . 2]" 2 28 1 13 PHE O 1 201 ILE H 1.800 . 2.500 2.350 2.071 2.502 0.002 13 0 "[ . 1 . 2]" 2 29 1 56 LYS O 1 99 TYR N 2.800 2.400 3.500 3.390 3.179 3.479 . 0 0 "[ . 1 . 2]" 2 30 1 56 LYS O 1 99 TYR H 1.800 . 2.500 2.478 2.247 2.512 0.012 5 0 "[ . 1 . 2]" 2 31 1 53 PHE N 1 57 TRP O 2.800 2.400 3.500 3.092 2.848 3.384 . 0 0 "[ . 1 . 2]" 2 32 1 53 PHE H 1 57 TRP O 1.800 . 2.500 2.277 2.042 2.500 . 1 0 "[ . 1 . 2]" 2 33 1 53 PHE O 1 57 TRP N 2.800 2.400 3.500 2.898 2.811 3.135 . 0 0 "[ . 1 . 2]" 2 34 1 53 PHE O 1 57 TRP H 1.800 . 2.500 2.221 2.162 2.326 . 0 0 "[ . 1 . 2]" 2 35 1 58 GLY N 1 97 GLN O 2.800 2.400 3.500 2.981 2.598 3.287 . 0 0 "[ . 1 . 2]" 2 36 1 58 GLY H 1 97 GLN O 1.800 . 2.500 2.492 2.341 2.515 0.015 18 0 "[ . 1 . 2]" 2 37 1 58 GLY O 1 97 GLN N 2.800 2.400 3.500 2.719 2.571 3.139 . 0 0 "[ . 1 . 2]" 2 38 1 58 GLY O 1 97 GLN H 1.800 . 2.500 1.951 1.638 2.502 0.002 17 0 "[ . 1 . 2]" 2 39 1 51 TYR N 1 59 VAL O 2.800 2.400 3.500 2.719 2.565 3.132 . 0 0 "[ . 1 . 2]" 2 40 1 51 TYR H 1 59 VAL O 1.800 . 2.500 1.795 1.645 2.278 . 0 0 "[ . 1 . 2]" 2 41 1 51 TYR O 1 59 VAL N 2.800 2.400 3.500 3.159 2.646 3.465 . 0 0 "[ . 1 . 2]" 2 42 1 51 TYR O 1 59 VAL H 1.800 . 2.500 2.272 1.693 2.515 0.015 18 0 "[ . 1 . 2]" 2 43 1 60 GLU N 1 95 LEU O 2.800 2.400 3.500 3.049 2.793 3.368 . 0 0 "[ . 1 . 2]" 2 44 1 60 GLU H 1 95 LEU O 1.800 . 2.500 2.153 1.848 2.504 0.004 9 0 "[ . 1 . 2]" 2 45 1 60 GLU O 1 95 LEU N 2.800 2.400 3.500 3.004 2.704 3.329 . 0 0 "[ . 1 . 2]" 2 46 1 60 GLU O 1 95 LEU H 1.800 . 2.500 2.191 1.861 2.504 0.004 1 0 "[ . 1 . 2]" 2 47 1 49 PHE N 1 61 LEU O 2.800 2.400 3.500 3.220 2.776 3.387 . 0 0 "[ . 1 . 2]" 2 48 1 49 PHE H 1 61 LEU O 1.800 . 2.500 2.374 1.985 2.504 0.004 15 0 "[ . 1 . 2]" 2 49 1 49 PHE O 1 61 LEU N 2.800 2.400 3.500 3.052 2.656 3.312 . 0 0 "[ . 1 . 2]" 2 50 1 49 PHE O 1 61 LEU H 1.800 . 2.500 2.193 1.775 2.502 0.002 5 0 "[ . 1 . 2]" 2 51 1 62 VAL N 1 93 THR O 2.800 2.400 3.500 3.200 2.804 3.437 . 0 0 "[ . 1 . 2]" 2 52 1 62 VAL H 1 93 THR O 1.800 . 2.500 2.305 1.875 2.504 0.004 15 0 "[ . 1 . 2]" 2 53 1 47 LEU O 1 63 ALA N 2.800 2.400 3.500 2.923 2.698 3.228 . 0 0 "[ . 1 . 2]" 2 54 1 47 LEU O 1 63 ALA H 1.800 . 2.500 2.241 1.888 2.501 0.001 7 0 "[ . 1 . 2]" 2 55 1 47 LEU N 1 63 ALA O 2.800 2.400 3.500 2.962 2.698 3.407 . 0 0 "[ . 1 . 2]" 2 56 1 47 LEU H 1 63 ALA O 1.800 . 2.500 2.090 1.737 2.500 . 0 0 "[ . 1 . 2]" 2 57 1 109 GLN N 1 153 ASP O 2.800 2.400 3.500 3.177 2.751 3.484 . 0 0 "[ . 1 . 2]" 2 58 1 109 GLN H 1 153 ASP O 1.800 . 2.500 2.267 1.946 2.504 0.004 20 0 "[ . 1 . 2]" 2 59 1 109 GLN O 1 153 ASP N 2.800 2.400 3.500 3.241 2.843 3.449 . 0 0 "[ . 1 . 2]" 2 60 1 109 GLN O 1 153 ASP H 1.800 . 2.500 2.347 1.981 2.509 0.009 1 0 "[ . 1 . 2]" 2 61 1 111 TYR N 1 151 GLY O 2.800 2.400 3.500 3.009 2.598 3.410 . 0 0 "[ . 1 . 2]" 2 62 1 111 TYR H 1 151 GLY O 1.800 . 2.500 2.179 1.779 2.502 0.002 3 0 "[ . 1 . 2]" 2 63 1 111 TYR O 1 151 GLY N 2.800 2.400 3.500 3.088 2.621 3.451 . 0 0 "[ . 1 . 2]" 2 64 1 111 TYR O 1 151 GLY H 1.800 . 2.500 2.173 1.689 2.487 . 0 0 "[ . 1 . 2]" 2 65 1 98 TYR N 1 112 GLY O 2.800 2.400 3.500 2.960 2.595 3.390 . 0 0 "[ . 1 . 2]" 2 66 1 98 TYR H 1 112 GLY O 1.800 . 2.500 2.067 1.672 2.505 0.005 5 0 "[ . 1 . 2]" 2 67 1 98 TYR O 1 112 GLY N 2.800 2.400 3.500 3.040 2.765 3.449 . 0 0 "[ . 1 . 2]" 2 68 1 98 TYR O 1 112 GLY H 1.800 . 2.500 2.177 1.890 2.508 0.008 11 0 "[ . 1 . 2]" 2 69 1 113 GLY N 1 149 GLU O 2.800 2.400 3.500 2.993 2.601 3.439 . 0 0 "[ . 1 . 2]" 2 70 1 113 GLY H 1 149 GLU O 1.800 . 2.500 2.228 1.781 2.508 0.008 11 0 "[ . 1 . 2]" 2 71 1 113 GLY O 1 149 GLU N 2.800 2.400 3.500 2.949 2.598 3.421 . 0 0 "[ . 1 . 2]" 2 72 1 113 GLY O 1 149 GLU H 1.800 . 2.500 2.085 1.686 2.502 0.002 6 0 "[ . 1 . 2]" 2 73 1 96 LEU N 1 114 LEU O 2.800 2.400 3.500 2.778 2.603 3.050 . 0 0 "[ . 1 . 2]" 2 74 1 96 LEU H 1 114 LEU O 1.800 . 2.500 1.933 1.678 2.361 . 0 0 "[ . 1 . 2]" 2 75 1 96 LEU O 1 114 LEU N 2.800 2.400 3.500 2.881 2.698 3.334 . 0 0 "[ . 1 . 2]" 2 76 1 96 LEU O 1 114 LEU H 1.800 . 2.500 2.093 1.781 2.504 0.004 13 0 "[ . 1 . 2]" 2 77 1 115 GLY N 1 147 ALA O 2.800 2.400 3.500 2.990 2.600 3.458 . 0 0 "[ . 1 . 2]" 2 78 1 115 GLY H 1 147 ALA O 1.800 . 2.500 2.115 1.694 2.502 0.002 15 0 "[ . 1 . 2]" 2 79 1 94 LEU O 1 116 VAL N 2.800 2.400 3.500 3.355 2.992 3.477 . 0 0 "[ . 1 . 2]" 2 80 1 94 LEU O 1 116 VAL H 1.800 . 2.500 2.435 2.073 2.504 0.004 10 0 "[ . 1 . 2]" 2 81 1 156 LEU N 1 160 ALA O 2.800 2.400 3.500 3.185 2.749 3.452 . 0 0 "[ . 1 . 2]" 2 82 1 156 LEU H 1 160 ALA O 1.800 . 2.500 2.331 1.888 2.508 0.008 2 0 "[ . 1 . 2]" 2 83 1 161 LEU N 1 204 GLY O 2.800 2.400 3.500 2.997 2.596 3.408 . 0 0 "[ . 1 . 2]" 2 84 1 161 LEU H 1 204 GLY O 1.800 . 2.500 2.098 1.800 2.503 0.003 3 0 "[ . 1 . 2]" 2 85 1 161 LEU O 1 204 GLY N 2.800 2.400 3.500 2.681 2.534 2.894 . 0 0 "[ . 1 . 2]" 2 86 1 161 LEU O 1 204 GLY H 1.800 . 2.500 1.884 1.688 2.102 . 0 0 "[ . 1 . 2]" 2 87 1 154 TYR O 1 162 PHE N 2.800 2.400 3.500 2.837 2.593 3.226 . 0 0 "[ . 1 . 2]" 2 88 1 154 TYR O 1 162 PHE H 1.800 . 2.500 1.967 1.710 2.389 . 0 0 "[ . 1 . 2]" 2 89 1 154 TYR N 1 162 PHE O 2.800 2.400 3.500 2.791 2.591 3.046 . 0 0 "[ . 1 . 2]" 2 90 1 154 TYR H 1 162 PHE O 1.800 . 2.500 1.933 1.696 2.304 . 0 0 "[ . 1 . 2]" 2 91 1 163 ASN N 1 202 GLY O 2.800 2.400 3.500 3.039 2.664 3.385 . 0 0 "[ . 1 . 2]" 2 92 1 163 ASN H 1 202 GLY O 1.800 . 2.500 2.118 1.707 2.500 . 0 0 "[ . 1 . 2]" 2 93 1 163 ASN O 1 202 GLY N 2.800 2.400 3.500 3.161 2.650 3.466 . 0 0 "[ . 1 . 2]" 2 94 1 163 ASN O 1 202 GLY H 1.800 . 2.500 2.271 1.702 2.506 0.006 4 0 "[ . 1 . 2]" 2 95 1 152 PHE O 1 164 MET N 2.800 2.400 3.500 2.994 2.718 3.316 . 0 0 "[ . 1 . 2]" 2 96 1 152 PHE O 1 164 MET H 1.800 . 2.500 2.195 1.826 2.503 0.003 12 0 "[ . 1 . 2]" 2 97 1 152 PHE N 1 164 MET O 2.800 2.400 3.500 3.129 2.621 3.362 . 0 0 "[ . 1 . 2]" 2 98 1 152 PHE H 1 164 MET O 1.800 . 2.500 2.302 1.694 2.502 0.002 8 0 "[ . 1 . 2]" 2 99 1 165 ALA N 1 200 MET O 2.800 2.400 3.500 2.940 2.613 3.449 . 0 0 "[ . 1 . 2]" 2 100 1 165 ALA H 1 200 MET O 1.800 . 2.500 2.130 1.682 2.502 0.002 13 0 "[ . 1 . 2]" 2 101 1 165 ALA O 1 200 MET N 2.800 2.400 3.500 3.275 3.059 3.442 . 0 0 "[ . 1 . 2]" 2 102 1 165 ALA O 1 200 MET H 1.800 . 2.500 2.395 2.169 2.503 0.003 5 0 "[ . 1 . 2]" 2 103 1 150 LEU O 1 166 VAL N 2.800 2.400 3.500 3.044 2.738 3.380 . 0 0 "[ . 1 . 2]" 2 104 1 150 LEU O 1 166 VAL H 1.800 . 2.500 2.143 1.797 2.500 . 0 0 "[ . 1 . 2]" 2 105 1 150 LEU N 1 166 VAL O 2.800 2.400 3.500 3.246 2.966 3.417 . 0 0 "[ . 1 . 2]" 2 106 1 150 LEU H 1 166 VAL O 1.800 . 2.500 2.329 2.064 2.502 0.002 13 0 "[ . 1 . 2]" 2 stop_ save_
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