NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
653999 | 6uz5 | 30687 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6uz5 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 205 _Distance_constraint_stats_list.Viol_count 319 _Distance_constraint_stats_list.Viol_total 1244.370 _Distance_constraint_stats_list.Viol_max 0.895 _Distance_constraint_stats_list.Viol_rms 0.0721 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0152 _Distance_constraint_stats_list.Viol_average_violations_only 0.1950 _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 2 2 SER 0.000 0.000 . 0 "[ . 1 . 2]" 2 3 LYS 0.421 0.317 7 0 "[ . 1 . 2]" 2 4 THR 0.469 0.317 7 0 "[ . 1 . 2]" 2 5 ILE 4.653 0.533 11 1 "[ . 1+ . 2]" 2 6 GLN 1.654 0.332 14 0 "[ . 1 . 2]" 2 7 GLU 0.561 0.229 4 0 "[ . 1 . 2]" 2 8 LYS 0.561 0.229 4 0 "[ . 1 . 2]" 2 9 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 2 10 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 2 11 GLU 0.086 0.086 8 0 "[ . 1 . 2]" 2 12 LEU 1.859 0.301 19 0 "[ . 1 . 2]" 2 13 LYS 1.551 0.301 19 0 "[ . 1 . 2]" 2 14 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 2 15 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 2 16 LYS 0.603 0.175 12 0 "[ . 1 . 2]" 2 17 ASP 0.603 0.175 12 0 "[ . 1 . 2]" 2 18 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 2 19 VAL 0.031 0.031 14 0 "[ . 1 . 2]" 2 20 GLU 0.031 0.031 14 0 "[ . 1 . 2]" 2 21 LEU 1.134 0.362 13 0 "[ . 1 . 2]" 2 22 GLU 0.170 0.170 7 0 "[ . 1 . 2]" 2 23 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 2 24 LEU 3.626 0.736 5 3 "[ +*- 1 . 2]" 2 25 LYS 0.525 0.215 14 0 "[ . 1 . 2]" 2 26 ASN 0.326 0.112 12 0 "[ . 1 . 2]" 2 27 GLU 4.385 0.446 6 0 "[ . 1 . 2]" 2 28 ARG 1.079 0.220 8 0 "[ . 1 . 2]" 2 29 HIS 0.158 0.094 10 0 "[ . 1 . 2]" 2 30 ASP 0.303 0.094 10 0 "[ . 1 . 2]" 2 31 HIS 0.145 0.051 13 0 "[ . 1 . 2]" 2 32 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 2 33 GLU 4.352 0.553 6 1 "[ .+ 1 . 2]" 2 34 GLU 2.899 0.537 11 2 "[ . - 1+ . 2]" 2 35 ALA 0.034 0.020 15 0 "[ . 1 . 2]" 2 36 GLU 0.235 0.087 12 0 "[ . 1 . 2]" 2 37 ARG 7.279 0.670 20 4 "[ * . 1 - * +]" 2 38 LYS 7.058 0.670 20 4 "[ * . 1 - * +]" 2 39 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 2 40 LEU 2.597 0.427 14 0 "[ . 1 . 2]" 2 41 GLU 3.977 0.427 14 0 "[ . 1 . 2]" 2 42 ASP 1.646 0.458 3 0 "[ . 1 . 2]" 2 43 LYS 1.356 0.458 3 0 "[ . 1 . 2]" 2 44 LEU 0.135 0.078 7 0 "[ . 1 . 2]" 2 45 ALA 0.135 0.078 7 0 "[ . 1 . 2]" 2 46 ASP 4.570 0.620 20 1 "[ . 1 . +]" 2 47 LYS 5.792 0.620 20 1 "[ . 1 . +]" 2 48 GLN 1.185 0.395 20 0 "[ . 1 . 2]" 2 49 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 2 50 HIS 0.000 0.000 . 0 "[ . 1 . 2]" 2 51 LEU 3.979 0.761 10 2 "[ - + . 2]" 2 52 ASP 7.398 0.761 10 4 "[ ** - + . 2]" 2 53 GLY 10.934 0.895 16 8 "[* *. * 1* - *+ *]" 2 54 ALA 7.515 0.895 16 6 "[* . 1* - *+ *]" 2 55 LEU 0.762 0.316 8 0 "[ . 1 . 2]" 2 56 ARG 1.628 0.370 6 0 "[ . 1 . 2]" 2 57 TYR 0.865 0.370 6 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 2 2 SER HA 2 3 LYS H 3.500 3.000 4.000 3.475 3.297 3.555 . 0 0 "[ . 1 . 2]" 1 2 2 3 LYS HA 2 4 THR H 3.500 . 5.000 3.503 3.408 3.547 . 0 0 "[ . 1 . 2]" 1 3 2 3 LYS QB 2 4 THR H 3.500 2.500 4.500 2.653 2.452 3.016 0.048 16 0 "[ . 1 . 2]" 1 4 2 3 LYS QD 2 4 THR H 4.500 2.500 5.000 4.751 4.268 5.317 0.317 7 0 "[ . 1 . 2]" 1 5 2 3 LYS QG 2 4 THR H 4.500 2.500 5.000 3.854 3.508 4.155 . 0 0 "[ . 1 . 2]" 1 6 2 4 THR H 2 4 THR HA 2.500 . 3.000 2.870 2.824 2.934 . 0 0 "[ . 1 . 2]" 1 7 2 4 THR H 2 4 THR MG 3.500 2.500 4.500 3.140 2.452 3.753 0.048 11 0 "[ . 1 . 2]" 1 8 2 4 THR HB 2 5 ILE H 3.500 2.500 4.500 3.661 2.581 4.151 . 0 0 "[ . 1 . 2]" 1 9 2 4 THR MG 2 5 ILE H 4.500 2.500 5.000 3.470 2.609 3.981 . 0 0 "[ . 1 . 2]" 1 10 2 5 ILE H 2 5 ILE HA 2.500 . 3.000 2.892 2.862 2.941 . 0 0 "[ . 1 . 2]" 1 11 2 5 ILE H 2 5 ILE HB 2.500 . 3.500 2.547 2.427 2.690 . 0 0 "[ . 1 . 2]" 1 12 2 5 ILE H 2 5 ILE QG 3.500 2.500 4.500 2.291 1.967 2.973 0.533 11 1 "[ . 1+ . 2]" 1 13 2 5 ILE H 2 5 ILE MG 3.500 2.500 4.500 3.790 3.753 3.852 . 0 0 "[ . 1 . 2]" 1 14 2 5 ILE HA 2 6 GLN H 3.500 . 5.000 2.151 2.115 2.221 . 0 0 "[ . 1 . 2]" 1 15 2 5 ILE HB 2 6 GLN H 3.500 2.500 4.500 4.274 4.122 4.430 . 0 0 "[ . 1 . 2]" 1 16 2 5 ILE QG 2 6 GLN H 4.500 2.500 5.000 4.237 4.018 4.430 . 0 0 "[ . 1 . 2]" 1 17 2 5 ILE MG 2 6 GLN H 4.500 2.500 5.000 2.933 2.545 3.494 . 0 0 "[ . 1 . 2]" 1 18 2 6 GLN H 2 6 GLN HA 2.500 . 3.000 2.893 2.824 2.935 . 0 0 "[ . 1 . 2]" 1 19 2 6 GLN H 2 6 GLN QB 2.500 . 3.500 2.400 2.176 2.534 . 0 0 "[ . 1 . 2]" 1 20 2 6 GLN H 2 6 GLN QG 3.500 2.500 4.500 2.498 2.168 2.955 0.332 14 0 "[ . 1 . 2]" 1 21 2 7 GLU H 2 7 GLU HA 2.500 . 3.000 2.859 2.827 2.917 . 0 0 "[ . 1 . 2]" 1 22 2 7 GLU H 2 7 GLU QB 2.500 . 3.500 2.257 2.188 2.316 . 0 0 "[ . 1 . 2]" 1 23 2 7 GLU H 2 7 GLU QG 3.500 2.500 4.500 3.967 3.880 4.008 . 0 0 "[ . 1 . 2]" 1 24 2 7 GLU HA 2 8 LYS H 3.500 3.000 4.000 3.499 3.329 3.558 . 0 0 "[ . 1 . 2]" 1 25 2 7 GLU QB 2 8 LYS H 3.500 2.500 4.500 2.618 2.271 3.246 0.229 4 0 "[ . 1 . 2]" 1 26 2 7 GLU QG 2 8 LYS H 4.500 2.500 5.000 3.861 3.457 4.438 . 0 0 "[ . 1 . 2]" 1 27 2 8 LYS H 2 8 LYS HA 2.500 . 3.000 2.855 2.772 2.896 . 0 0 "[ . 1 . 2]" 1 28 2 8 LYS H 2 8 LYS QB 2.500 . 3.500 2.260 2.193 2.306 . 0 0 "[ . 1 . 2]" 1 29 2 9 GLU H 2 9 GLU HA 2.500 . 3.000 2.846 2.804 2.892 . 0 0 "[ . 1 . 2]" 1 30 2 9 GLU H 2 9 GLU QB 2.500 . 3.500 2.428 2.246 2.601 . 0 0 "[ . 1 . 2]" 1 31 2 10 GLN HA 2 11 GLU H 3.500 3.000 4.000 3.517 3.328 3.571 . 0 0 "[ . 1 . 2]" 1 32 2 11 GLU H 2 11 GLU HA 2.500 . 3.000 2.937 2.896 2.948 . 0 0 "[ . 1 . 2]" 1 33 2 11 GLU H 2 11 GLU QB 2.500 . 3.500 2.521 2.272 2.761 . 0 0 "[ . 1 . 2]" 1 34 2 11 GLU H 2 11 GLU QG 3.500 2.500 4.500 2.848 2.512 3.312 . 0 0 "[ . 1 . 2]" 1 35 2 11 GLU HA 2 12 LEU H 3.500 . 5.000 2.203 2.140 2.409 . 0 0 "[ . 1 . 2]" 1 36 2 11 GLU QB 2 12 LEU H 3.500 2.500 4.500 3.051 2.414 3.646 0.086 8 0 "[ . 1 . 2]" 1 37 2 12 LEU H 2 12 LEU QB 2.500 . 3.500 2.431 2.130 2.574 . 0 0 "[ . 1 . 2]" 1 38 2 12 LEU H 2 12 LEU HG 3.500 2.500 4.500 2.734 2.297 3.231 0.203 20 0 "[ . 1 . 2]" 1 39 2 12 LEU QB 2 13 LYS H 3.500 2.500 4.500 2.777 2.199 3.322 0.301 19 0 "[ . 1 . 2]" 1 40 2 12 LEU HG 2 13 LYS H 4.500 2.500 5.000 4.945 4.398 5.233 0.233 11 0 "[ . 1 . 2]" 1 41 2 13 LYS H 2 13 LYS HA 2.500 . 3.000 2.898 2.832 2.944 . 0 0 "[ . 1 . 2]" 1 42 2 13 LYS QB 2 14 ASN H 3.500 2.500 4.500 3.112 2.633 3.713 . 0 0 "[ . 1 . 2]" 1 43 2 13 LYS QG 2 14 ASN H 4.500 2.500 5.000 3.984 3.303 4.449 . 0 0 "[ . 1 . 2]" 1 44 2 14 ASN H 2 14 ASN HA 2.500 . 3.000 2.886 2.823 2.942 . 0 0 "[ . 1 . 2]" 1 45 2 14 ASN QB 2 15 LEU H 3.500 2.500 4.500 3.822 3.714 3.906 . 0 0 "[ . 1 . 2]" 1 46 2 15 LEU H 2 15 LEU QB 2.500 . 3.500 2.410 2.292 2.491 . 0 0 "[ . 1 . 2]" 1 47 2 15 LEU HA 2 16 LYS H 3.500 3.000 4.000 3.494 3.417 3.545 . 0 0 "[ . 1 . 2]" 1 48 2 15 LEU HG 2 16 LYS H 4.500 2.500 5.000 4.468 4.353 4.692 . 0 0 "[ . 1 . 2]" 1 49 2 16 LYS HA 2 17 ASP H 3.500 3.000 4.000 3.500 3.432 3.547 . 0 0 "[ . 1 . 2]" 1 50 2 16 LYS QB 2 17 ASP H 3.500 2.500 4.500 2.751 2.444 3.003 0.056 7 0 "[ . 1 . 2]" 1 51 2 16 LYS QD 2 17 ASP H 4.500 2.500 5.000 4.975 4.756 5.175 0.175 12 0 "[ . 1 . 2]" 1 52 2 16 LYS QG 2 17 ASP H 4.500 2.500 5.000 4.234 3.941 4.623 . 0 0 "[ . 1 . 2]" 1 53 2 17 ASP H 2 17 ASP HA 2.500 . 3.000 2.832 2.789 2.888 . 0 0 "[ . 1 . 2]" 1 54 2 17 ASP H 2 17 ASP QB 2.500 . 3.500 2.163 2.083 2.330 . 0 0 "[ . 1 . 2]" 1 55 2 17 ASP HA 2 18 ASN H 3.500 3.000 4.000 3.503 3.462 3.536 . 0 0 "[ . 1 . 2]" 1 56 2 17 ASP QB 2 18 ASN H 3.500 2.500 4.500 2.741 2.507 2.950 . 0 0 "[ . 1 . 2]" 1 57 2 18 ASN H 2 18 ASN QB 2.500 . 3.500 2.226 2.080 2.428 . 0 0 "[ . 1 . 2]" 1 58 2 18 ASN HA 2 19 VAL H 3.500 3.000 4.000 3.513 3.451 3.555 . 0 0 "[ . 1 . 2]" 1 59 2 18 ASN HA 2 21 LEU H 3.400 2.900 3.900 3.476 3.248 3.729 . 0 0 "[ . 1 . 2]" 1 60 2 19 VAL H 2 19 VAL HA 2.500 . 3.000 2.835 2.799 2.879 . 0 0 "[ . 1 . 2]" 1 61 2 19 VAL H 2 19 VAL HB 2.500 . 3.500 2.568 2.267 2.832 . 0 0 "[ . 1 . 2]" 1 62 2 19 VAL HB 2 20 GLU H 3.500 2.500 4.500 2.734 2.469 2.991 0.031 14 0 "[ . 1 . 2]" 1 63 2 20 GLU H 2 20 GLU QB 2.500 . 3.500 2.187 2.045 2.454 . 0 0 "[ . 1 . 2]" 1 64 2 20 GLU QB 2 21 LEU H 3.500 2.500 4.500 2.769 2.531 3.094 . 0 0 "[ . 1 . 2]" 1 65 2 20 GLU QG 2 21 LEU H 4.500 2.500 5.000 4.234 3.834 4.742 . 0 0 "[ . 1 . 2]" 1 66 2 21 LEU H 2 21 LEU HA 2.500 . 3.000 2.876 2.822 2.916 . 0 0 "[ . 1 . 2]" 1 67 2 21 LEU H 2 21 LEU QB 2.500 . 3.500 2.383 2.235 2.556 . 0 0 "[ . 1 . 2]" 1 68 2 21 LEU H 2 21 LEU MD1 4.500 2.500 5.000 3.625 3.480 3.806 . 0 0 "[ . 1 . 2]" 1 69 2 21 LEU H 2 21 LEU MD2 4.500 2.500 5.000 3.592 3.246 3.931 . 0 0 "[ . 1 . 2]" 1 70 2 21 LEU H 2 21 LEU HG 3.500 2.500 4.500 2.520 2.138 2.895 0.362 13 0 "[ . 1 . 2]" 1 71 2 21 LEU HA 2 22 GLU H 3.500 3.000 4.000 3.469 3.360 3.542 . 0 0 "[ . 1 . 2]" 1 72 2 22 GLU H 2 22 GLU QB 2.500 . 3.500 3.048 2.850 3.388 . 0 0 "[ . 1 . 2]" 1 73 2 22 GLU H 2 22 GLU QG 3.500 2.500 4.500 3.428 2.330 4.494 0.170 7 0 "[ . 1 . 2]" 1 74 2 22 GLU HA 2 23 ARG H 3.500 . 5.000 2.502 2.180 2.941 . 0 0 "[ . 1 . 2]" 1 75 2 22 GLU QG 2 23 ARG H 4.500 2.500 5.000 4.575 4.257 4.815 . 0 0 "[ . 1 . 2]" 1 76 2 23 ARG H 2 23 ARG QB 2.500 . 3.500 2.271 2.197 2.335 . 0 0 "[ . 1 . 2]" 1 77 2 23 ARG H 2 23 ARG QD 4.500 2.500 5.000 4.688 4.375 4.919 . 0 0 "[ . 1 . 2]" 1 78 2 23 ARG H 2 23 ARG QG 3.500 2.500 4.500 3.982 3.929 4.018 . 0 0 "[ . 1 . 2]" 1 79 2 23 ARG HA 2 24 LEU H 3.500 3.000 4.000 3.431 3.383 3.495 . 0 0 "[ . 1 . 2]" 1 80 2 23 ARG QG 2 24 LEU H 4.500 2.500 5.000 4.134 3.880 4.328 . 0 0 "[ . 1 . 2]" 1 81 2 24 LEU H 2 24 LEU QB 2.500 . 3.500 2.277 2.051 2.525 . 0 0 "[ . 1 . 2]" 1 82 2 24 LEU H 2 24 LEU MD1 4.500 2.500 5.000 2.627 1.764 3.692 0.736 5 3 "[ +*- 1 . 2]" 1 83 2 24 LEU H 2 24 LEU MD2 4.500 2.500 5.000 3.990 3.392 4.262 . 0 0 "[ . 1 . 2]" 1 84 2 24 LEU QB 2 25 LYS H 3.500 2.500 4.500 2.637 2.285 3.050 0.215 14 0 "[ . 1 . 2]" 1 85 2 25 LYS H 2 25 LYS QB 2.500 . 3.500 3.330 3.274 3.380 . 0 0 "[ . 1 . 2]" 1 86 2 25 LYS H 2 25 LYS QD 4.500 2.500 5.000 4.670 4.406 4.870 . 0 0 "[ . 1 . 2]" 1 87 2 25 LYS H 2 25 LYS QG 3.500 2.500 4.500 2.783 2.592 3.047 . 0 0 "[ . 1 . 2]" 1 88 2 25 LYS HA 2 26 ASN H 3.500 . 5.000 2.993 2.863 3.136 . 0 0 "[ . 1 . 2]" 1 89 2 25 LYS QB 2 26 ASN H 3.500 2.500 4.500 3.698 3.590 3.795 . 0 0 "[ . 1 . 2]" 1 90 2 26 ASN H 2 26 ASN QB 2.500 . 3.500 2.968 2.867 3.366 . 0 0 "[ . 1 . 2]" 1 91 2 26 ASN HA 2 27 GLU H 3.500 3.000 4.000 3.118 2.888 3.278 0.112 12 0 "[ . 1 . 2]" 1 92 2 26 ASN QB 2 27 GLU H 3.500 2.500 4.500 3.626 3.412 3.844 . 0 0 "[ . 1 . 2]" 1 93 2 27 GLU H 2 27 GLU HA 2.500 . 3.000 2.834 2.792 2.896 . 0 0 "[ . 1 . 2]" 1 94 2 27 GLU H 2 27 GLU QB 2.500 . 3.500 2.398 2.246 2.573 . 0 0 "[ . 1 . 2]" 1 95 2 27 GLU H 2 27 GLU QG 3.500 2.500 4.500 2.380 2.054 2.745 0.446 6 0 "[ . 1 . 2]" 1 96 2 27 GLU HA 2 28 ARG H 3.500 3.000 4.000 3.528 3.420 3.567 . 0 0 "[ . 1 . 2]" 1 97 2 27 GLU QB 2 28 ARG H 3.500 2.500 4.500 2.547 2.280 2.984 0.220 8 0 "[ . 1 . 2]" 1 98 2 27 GLU QG 2 28 ARG H 4.500 2.500 5.000 4.086 3.780 4.325 . 0 0 "[ . 1 . 2]" 1 99 2 28 ARG H 2 28 ARG HA 2.500 . 3.000 2.829 2.806 2.850 . 0 0 "[ . 1 . 2]" 1 100 2 28 ARG H 2 28 ARG QB 2.500 . 3.500 2.257 2.051 2.469 . 0 0 "[ . 1 . 2]" 1 101 2 28 ARG HA 2 29 HIS H 3.500 3.000 4.000 3.434 3.402 3.495 . 0 0 "[ . 1 . 2]" 1 102 2 28 ARG QG 2 29 HIS H 4.500 2.500 5.000 4.329 4.029 4.591 . 0 0 "[ . 1 . 2]" 1 103 2 29 HIS H 2 29 HIS HA 2.500 . 3.000 2.858 2.818 2.900 . 0 0 "[ . 1 . 2]" 1 104 2 29 HIS H 2 29 HIS QB 2.500 . 3.500 2.225 2.128 2.292 . 0 0 "[ . 1 . 2]" 1 105 2 29 HIS H 2 30 ASP QB 3.500 2.500 4.500 4.247 4.008 4.472 . 0 0 "[ . 1 . 2]" 1 106 2 29 HIS HA 2 30 ASP H 3.500 3.000 4.000 3.511 3.436 3.554 . 0 0 "[ . 1 . 2]" 1 107 2 29 HIS QB 2 30 ASP H 3.500 2.500 4.500 2.629 2.406 2.991 0.094 10 0 "[ . 1 . 2]" 1 108 2 30 ASP H 2 30 ASP QB 2.500 . 3.500 2.235 2.190 2.302 . 0 0 "[ . 1 . 2]" 1 109 2 30 ASP HA 2 31 HIS H 3.500 . 5.000 3.546 3.529 3.567 . 0 0 "[ . 1 . 2]" 1 110 2 30 ASP QB 2 31 HIS H 3.500 2.500 4.500 2.571 2.449 2.763 0.051 13 0 "[ . 1 . 2]" 1 111 2 31 HIS H 2 31 HIS QB 2.500 . 3.500 3.209 3.140 3.304 . 0 0 "[ . 1 . 2]" 1 112 2 31 HIS QB 2 32 ASP H 3.500 2.500 4.500 3.167 2.803 3.592 . 0 0 "[ . 1 . 2]" 1 113 2 32 ASP H 2 32 ASP HA 2.500 . 3.000 2.924 2.897 2.948 . 0 0 "[ . 1 . 2]" 1 114 2 32 ASP H 2 32 ASP QB 2.500 . 3.500 2.735 2.442 2.997 . 0 0 "[ . 1 . 2]" 1 115 2 32 ASP HA 2 33 GLU H 3.500 . 5.000 3.168 2.989 3.297 . 0 0 "[ . 1 . 2]" 1 116 2 32 ASP QB 2 33 GLU H 3.500 2.500 4.500 3.920 3.807 3.989 . 0 0 "[ . 1 . 2]" 1 117 2 33 GLU H 2 33 GLU HA 2.500 . 3.000 2.806 2.781 2.832 . 0 0 "[ . 1 . 2]" 1 118 2 33 GLU H 2 33 GLU QB 2.500 . 3.500 2.420 2.226 2.591 . 0 0 "[ . 1 . 2]" 1 119 2 33 GLU H 2 33 GLU QG 3.500 2.500 4.500 2.389 1.947 3.966 0.553 6 1 "[ .+ 1 . 2]" 1 120 2 33 GLU HA 2 35 ALA H 4.400 2.400 5.000 3.947 3.703 4.246 . 0 0 "[ . 1 . 2]" 1 121 2 33 GLU QB 2 34 GLU H 3.500 2.500 4.500 2.808 2.546 3.140 . 0 0 "[ . 1 . 2]" 1 122 2 34 GLU H 2 34 GLU HA 2.500 . 3.000 2.830 2.798 2.860 . 0 0 "[ . 1 . 2]" 1 123 2 34 GLU H 2 34 GLU QG 3.500 2.500 4.500 2.403 1.963 2.986 0.537 11 2 "[ . - 1+ . 2]" 1 124 2 34 GLU HA 2 35 ALA H 3.500 3.000 4.000 3.471 3.431 3.539 . 0 0 "[ . 1 . 2]" 1 125 2 34 GLU QB 2 35 ALA H 3.500 2.500 4.500 2.871 2.480 3.023 0.020 15 0 "[ . 1 . 2]" 1 126 2 34 GLU QG 2 35 ALA H 4.500 2.500 5.000 4.209 3.801 4.482 . 0 0 "[ . 1 . 2]" 1 127 2 35 ALA H 2 35 ALA HA 2.500 . 3.000 2.845 2.822 2.880 . 0 0 "[ . 1 . 2]" 1 128 2 35 ALA H 2 35 ALA MB 2.500 . 3.500 2.244 2.212 2.273 . 0 0 "[ . 1 . 2]" 1 129 2 35 ALA HA 2 38 LYS H 3.400 2.900 3.900 3.343 3.252 3.466 . 0 0 "[ . 1 . 2]" 1 130 2 35 ALA MB 2 36 GLU H 3.500 2.500 4.500 2.654 2.486 2.808 0.014 2 0 "[ . 1 . 2]" 1 131 2 36 GLU H 2 36 GLU HA 2.500 . 3.000 2.831 2.810 2.865 . 0 0 "[ . 1 . 2]" 1 132 2 36 GLU H 2 36 GLU QB 2.500 . 3.500 2.238 2.194 2.280 . 0 0 "[ . 1 . 2]" 1 133 2 36 GLU H 2 36 GLU QG 3.500 2.500 4.500 3.961 3.924 3.982 . 0 0 "[ . 1 . 2]" 1 134 2 36 GLU HA 2 37 ARG H 3.500 3.000 4.000 3.522 3.454 3.547 . 0 0 "[ . 1 . 2]" 1 135 2 36 GLU QB 2 37 ARG H 3.500 2.500 4.500 2.557 2.413 2.818 0.087 12 0 "[ . 1 . 2]" 1 136 2 36 GLU QG 2 37 ARG H 4.500 2.500 5.000 3.737 3.419 4.189 . 0 0 "[ . 1 . 2]" 1 137 2 37 ARG H 2 37 ARG QG 3.500 2.500 4.500 3.929 3.067 4.050 . 0 0 "[ . 1 . 2]" 1 138 2 37 ARG QB 2 38 LYS H 3.500 2.500 4.500 2.875 2.713 3.091 . 0 0 "[ . 1 . 2]" 1 139 2 37 ARG QD 2 38 LYS H 4.500 2.500 5.000 5.343 4.858 5.670 0.670 20 4 "[ * . 1 - * +]" 1 140 2 38 LYS H 2 38 LYS HA 2.500 . 3.000 2.876 2.848 2.903 . 0 0 "[ . 1 . 2]" 1 141 2 38 LYS H 2 38 LYS QB 2.500 . 3.500 2.271 2.202 2.337 . 0 0 "[ . 1 . 2]" 1 142 2 38 LYS H 2 38 LYS QG 3.500 2.500 4.500 3.973 3.896 4.013 . 0 0 "[ . 1 . 2]" 1 143 2 38 LYS HA 2 39 ALA H 3.500 3.000 4.000 3.501 3.442 3.535 . 0 0 "[ . 1 . 2]" 1 144 2 38 LYS QB 2 39 ALA H 3.500 2.500 4.500 2.715 2.508 2.896 . 0 0 "[ . 1 . 2]" 1 145 2 38 LYS QG 2 39 ALA H 4.500 2.500 5.000 3.797 3.468 4.214 . 0 0 "[ . 1 . 2]" 1 146 2 39 ALA H 2 39 ALA HA 2.500 . 3.000 2.852 2.803 2.895 . 0 0 "[ . 1 . 2]" 1 147 2 39 ALA H 2 39 ALA MB 2.500 . 3.500 2.246 2.204 2.279 . 0 0 "[ . 1 . 2]" 1 148 2 39 ALA HA 2 40 LEU H 3.500 3.000 4.000 3.526 3.417 3.561 . 0 0 "[ . 1 . 2]" 1 149 2 40 LEU H 2 40 LEU HA 2.500 . 3.000 2.903 2.857 2.948 . 0 0 "[ . 1 . 2]" 1 150 2 40 LEU H 2 40 LEU QB 2.500 . 3.500 2.435 2.320 2.645 . 0 0 "[ . 1 . 2]" 1 151 2 40 LEU H 2 40 LEU MD1 4.500 2.500 5.000 3.714 3.507 3.883 . 0 0 "[ . 1 . 2]" 1 152 2 40 LEU H 2 40 LEU HG 3.500 2.500 4.500 2.538 2.366 2.744 0.134 11 0 "[ . 1 . 2]" 1 153 2 40 LEU HA 2 41 GLU H 3.500 . 5.000 2.214 2.128 2.398 . 0 0 "[ . 1 . 2]" 1 154 2 40 LEU QB 2 41 GLU H 3.500 2.500 4.500 3.042 2.485 3.622 0.015 4 0 "[ . 1 . 2]" 1 155 2 40 LEU MD1 2 41 GLU H 4.500 2.500 5.000 4.971 4.541 5.427 0.427 14 0 "[ . 1 . 2]" 1 156 2 41 GLU H 2 41 GLU QB 2.500 . 3.500 2.379 2.274 2.499 . 0 0 "[ . 1 . 2]" 1 157 2 41 GLU H 2 41 GLU QG 3.500 2.500 4.500 2.501 2.102 2.917 0.398 5 0 "[ . 1 . 2]" 1 158 2 41 GLU HA 2 42 ASP H 3.500 3.000 4.000 3.441 3.236 3.560 . 0 0 "[ . 1 . 2]" 1 159 2 41 GLU QB 2 42 ASP H 3.500 2.500 4.500 2.826 2.382 3.401 0.118 19 0 "[ . 1 . 2]" 1 160 2 41 GLU QG 2 42 ASP H 4.500 2.500 5.000 4.180 3.990 4.397 . 0 0 "[ . 1 . 2]" 1 161 2 42 ASP H 2 42 ASP QB 2.500 . 3.500 3.040 2.559 3.251 . 0 0 "[ . 1 . 2]" 1 162 2 42 ASP QB 2 43 LYS H 3.500 2.500 4.500 2.573 2.042 2.972 0.458 3 0 "[ . 1 . 2]" 1 163 2 43 LYS H 2 43 LYS QB 2.500 . 3.500 2.349 2.184 2.541 . 0 0 "[ . 1 . 2]" 1 164 2 44 LEU H 2 44 LEU HA 2.500 . 3.000 2.826 2.761 2.916 . 0 0 "[ . 1 . 2]" 1 165 2 44 LEU H 2 44 LEU QB 2.500 . 3.500 2.336 2.113 2.576 . 0 0 "[ . 1 . 2]" 1 166 2 44 LEU HA 2 45 ALA H 3.500 . 5.000 2.236 2.123 2.376 . 0 0 "[ . 1 . 2]" 1 167 2 44 LEU QB 2 45 ALA H 3.500 2.500 4.500 2.862 2.497 3.211 0.003 13 0 "[ . 1 . 2]" 1 168 2 44 LEU MD1 2 45 ALA H 4.500 2.500 5.000 4.716 4.268 5.053 0.053 6 0 "[ . 1 . 2]" 1 169 2 44 LEU MD2 2 45 ALA H 4.500 2.500 5.000 4.177 3.445 4.698 . 0 0 "[ . 1 . 2]" 1 170 2 44 LEU HG 2 45 ALA H 4.500 2.500 5.000 4.177 3.406 5.078 0.078 7 0 "[ . 1 . 2]" 1 171 2 45 ALA H 2 45 ALA HA 2.500 . 3.000 2.871 2.805 2.914 . 0 0 "[ . 1 . 2]" 1 172 2 45 ALA H 2 45 ALA MB 2.500 . 3.500 2.261 2.228 2.315 . 0 0 "[ . 1 . 2]" 1 173 2 46 ASP H 2 46 ASP HA 2.500 . 3.000 2.910 2.848 2.934 . 0 0 "[ . 1 . 2]" 1 174 2 46 ASP H 2 46 ASP QB 2.500 . 3.500 2.702 2.403 2.900 . 0 0 "[ . 1 . 2]" 1 175 2 46 ASP HA 2 47 LYS H 3.500 . 5.000 2.702 2.420 3.597 . 0 0 "[ . 1 . 2]" 1 176 2 46 ASP QB 2 47 LYS H 3.500 2.500 4.500 2.300 1.880 3.056 0.620 20 1 "[ . 1 . +]" 1 177 2 47 LYS H 2 47 LYS QB 2.500 . 3.500 2.327 2.216 2.858 . 0 0 "[ . 1 . 2]" 1 178 2 47 LYS H 2 47 LYS QD 4.500 2.500 5.000 4.436 4.256 5.027 0.027 3 0 "[ . 1 . 2]" 1 179 2 47 LYS H 2 47 LYS QG 3.500 2.500 4.500 3.996 3.931 4.200 . 0 0 "[ . 1 . 2]" 1 180 2 47 LYS HA 2 48 GLN H 3.500 . 5.000 2.154 2.122 2.236 . 0 0 "[ . 1 . 2]" 1 181 2 47 LYS QB 2 48 GLN H 3.500 2.500 4.500 3.791 3.584 3.982 . 0 0 "[ . 1 . 2]" 1 182 2 47 LYS QD 2 48 GLN H 4.500 2.500 5.000 4.815 3.942 5.395 0.395 20 0 "[ . 1 . 2]" 1 183 2 47 LYS QG 2 48 GLN H 4.500 2.500 5.000 2.865 2.405 3.468 0.095 12 0 "[ . 1 . 2]" 1 184 2 49 GLU H 2 49 GLU HA 2.500 . 3.000 2.844 2.781 2.905 . 0 0 "[ . 1 . 2]" 1 185 2 49 GLU H 2 49 GLU QB 2.500 . 3.500 2.472 2.144 2.638 . 0 0 "[ . 1 . 2]" 1 186 2 49 GLU HA 2 50 HIS H 3.500 . 5.000 3.525 3.471 3.579 . 0 0 "[ . 1 . 2]" 1 187 2 49 GLU QG 2 50 HIS H 4.500 2.500 5.000 3.923 3.718 4.217 . 0 0 "[ . 1 . 2]" 1 188 2 50 HIS H 2 50 HIS HA 2.500 . 3.000 2.259 2.244 2.267 . 0 0 "[ . 1 . 2]" 1 189 2 50 HIS H 2 50 HIS QB 2.500 . 3.500 3.170 2.926 3.379 . 0 0 "[ . 1 . 2]" 1 190 2 50 HIS HA 2 51 LEU H 3.500 . 5.000 3.440 2.865 3.555 . 0 0 "[ . 1 . 2]" 1 191 2 51 LEU H 2 51 LEU QB 2.500 . 3.500 2.970 2.840 3.168 . 0 0 "[ . 1 . 2]" 1 192 2 51 LEU QB 2 52 ASP H 3.500 2.500 4.500 2.599 1.739 3.603 0.761 10 2 "[ - + . 2]" 1 193 2 52 ASP QB 2 53 GLY H 3.500 2.500 4.500 2.370 1.808 2.902 0.692 4 2 "[ +. - 1 . 2]" 1 194 2 53 GLY H 2 53 GLY QA 2.500 . 3.000 2.298 2.212 2.501 . 0 0 "[ . 1 . 2]" 1 195 2 53 GLY QA 2 54 ALA H 3.500 3.000 4.000 2.624 2.105 2.928 0.895 16 6 "[* . 1* - *+ *]" 1 196 2 54 ALA H 2 54 ALA HA 2.500 . 3.000 2.888 2.794 2.950 . 0 0 "[ . 1 . 2]" 1 197 2 54 ALA H 2 54 ALA MB 2.500 . 3.500 2.377 2.191 2.767 . 0 0 "[ . 1 . 2]" 1 198 2 55 LEU H 2 55 LEU HA 2.500 . 3.000 2.887 2.811 2.932 . 0 0 "[ . 1 . 2]" 1 199 2 55 LEU H 2 55 LEU QB 2.500 . 3.500 2.441 2.184 2.581 . 0 0 "[ . 1 . 2]" 1 200 2 55 LEU HA 2 56 ARG H 3.500 3.000 4.000 3.313 2.684 3.567 0.316 8 0 "[ . 1 . 2]" 1 201 2 56 ARG HA 2 57 TYR H 3.500 3.000 4.000 3.376 3.008 3.588 . 0 0 "[ . 1 . 2]" 1 202 2 56 ARG QB 2 57 TYR H 3.500 2.500 4.500 3.065 2.130 3.950 0.370 6 0 "[ . 1 . 2]" 1 203 2 56 ARG QG 2 57 TYR H 4.500 2.500 5.000 4.092 2.657 4.602 . 0 0 "[ . 1 . 2]" 1 204 2 57 TYR H 2 57 TYR HA 2.500 . 3.000 2.931 2.898 2.948 . 0 0 "[ . 1 . 2]" 1 205 2 57 TYR H 2 57 TYR QB 2.500 . 3.500 2.628 2.362 2.765 . 0 0 "[ . 1 . 2]" 1 stop_ save_
Contact the webmaster for help, if required. Sunday, June 16, 2024 2:24:59 PM GMT (wattos1)