NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
577071 | 2mhx | 19659 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mhx 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 121 _Distance_constraint_stats_list.Viol_count 823 _Distance_constraint_stats_list.Viol_total 3535.307 _Distance_constraint_stats_list.Viol_max 1.721 _Distance_constraint_stats_list.Viol_rms 0.4054 _Distance_constraint_stats_list.Viol_average_all_restraints 0.4565 _Distance_constraint_stats_list.Viol_average_violations_only 0.5370 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 1 DC 37.463 1.432 2 8 [-+******] 1 2 DG 27.213 1.432 2 8 [*+******] 1 3 DG 27.442 1.129 3 8 [**+-****] 1 4 DA 39.786 1.034 4 8 [***+****] 1 5 DC 39.480 1.055 8 8 [*-*****+] 1 7 DA 13.552 0.651 2 8 [*+*****-] 1 8 DG 23.901 1.217 8 8 [*******+] 1 9 DA 36.839 1.452 6 8 [*****+*-] 1 10 DA 19.620 0.660 6 8 [-****+**] 1 11 DG 25.283 1.048 7 8 [-*****+*] 2 1 DC 21.104 1.030 8 8 [**-****+] 2 2 DT 19.861 1.030 8 8 [**-****+] 2 3 DT 32.304 1.721 7 8 [****-*+*] 2 4 DC 48.021 1.721 7 8 [****-*+*] 2 5 DT 9.473 0.781 8 8 [**-****+] 2 6 DT 22.142 1.139 2 8 [*+****-*] 2 7 DG 15.684 1.139 2 8 [*+***-**] 2 8 DT 25.941 1.537 5 8 [****+***] 2 9 DC 74.950 1.654 4 8 [***+****] 2 10 DC 52.372 1.654 4 8 [***+**-*] 2 11 DG 28.048 1.542 1 8 [+*******] 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 1 DC H1' 2 1 DC H6 . . 3.100 3.710 3.702 3.719 0.619 8 8 [**-****+] 1 2 2 1 DC H1' 2 1 DC H3' . . 3.690 3.895 3.869 3.912 0.222 2 0 "[ . ]" 1 3 2 1 DC H1' 2 2 DT H6 . . 3.860 4.713 4.640 4.839 0.979 3 8 [**+**-**] 1 4 2 1 DC H3' 2 2 DT H6 . . 3.230 4.201 4.087 4.260 1.030 8 8 [**-****+] 1 5 2 2 DT H1' 2 2 DT H6 . . 3.090 3.749 3.747 3.752 0.662 5 8 [**-*+***] 1 6 2 3 DT H1' 2 3 DT H3' . . 3.290 3.766 3.749 3.776 0.486 3 0 "[ . ]" 1 7 2 3 DT H1' 2 3 DT H2'' . . 2.380 2.384 2.377 2.394 0.014 6 0 "[ . ]" 1 8 2 3 DT H1' 2 4 DC H6 . . 3.170 3.672 3.552 3.778 0.608 7 5 "[* * -*+ ]" 1 9 2 3 DT H3' 2 4 DC H6 . . 4.070 4.975 4.889 5.108 1.038 7 8 [**-***+*] 1 10 2 4 DC H1' 2 4 DC H6 . . 3.110 3.742 3.736 3.746 0.636 6 8 [****-+**] 1 11 2 3 DT H1' 2 4 DC H5 . . 3.270 4.760 4.537 4.991 1.721 7 8 [**-***+*] 1 12 2 3 DT H3' 2 4 DC H5 . . 5.300 5.841 5.545 6.143 0.843 7 5 "[- ** +*]" 1 13 2 4 DC H1' 2 4 DC H3' . . 3.840 3.830 3.811 3.845 0.005 7 0 "[ . ]" 1 14 2 4 DC H3' 2 4 DC H6 . . 3.210 4.017 3.918 4.092 0.882 4 8 [***+**-*] 1 15 2 4 DC H1' 2 4 DC Q2' . . 2.250 2.283 2.264 2.296 0.046 4 0 "[ . ]" 1 16 2 4 DC Q2' 2 4 DC H6 . . 1.900 2.371 2.226 2.491 0.591 7 3 "[ - +*]" 1 17 2 4 DC Q2' 2 4 DC H3' . . 2.170 2.192 2.187 2.199 0.029 4 0 "[ . ]" 1 18 2 4 DC H1' 2 5 DT H6 . . 3.340 3.939 3.767 4.121 0.781 8 6 "[* - ***+]" 1 19 2 5 DT H1' 2 5 DT H6 . . 3.160 3.745 3.740 3.748 0.588 3 8 [**+-****] 1 20 2 6 DT H1' 2 6 DT H6 . . 3.030 3.706 3.699 3.709 0.679 8 8 [******-+] 1 21 2 6 DT H1' 2 6 DT Q2' . . 1.830 2.190 2.185 2.201 0.371 2 0 "[ . ]" 1 22 2 6 DT Q2' 2 6 DT H6 . . 2.130 2.854 2.812 2.910 0.780 7 8 [*****-+*] 1 23 2 6 DT Q2' 2 6 DT H3' . . 2.290 2.212 2.207 2.216 . 0 0 "[ . ]" 1 24 2 6 DT H1' 2 7 DG H8 . . 3.710 4.719 4.674 4.849 1.139 2 8 [*+***-**] 1 25 2 6 DT Q2' 2 7 DG H8 . . 2.560 2.404 2.367 2.484 . 0 0 "[ . ]" 1 26 2 7 DG H1' 2 7 DG H3' . . 3.430 3.909 3.894 3.927 0.497 2 0 "[ . ]" 1 27 2 7 DG H1' 2 7 DG Q2' . . 2.230 2.252 2.244 2.258 0.028 6 0 "[ . ]" 1 28 2 7 DG Q2' 2 7 DG H8 . . 2.270 2.259 2.236 2.287 0.017 7 0 "[ . ]" 1 29 2 7 DG Q2' 2 7 DG H3' . . 2.270 2.205 2.201 2.210 . 0 0 "[ . ]" 1 30 2 7 DG H1' 2 8 DT H6 . . 3.080 3.475 3.392 3.550 0.470 1 0 "[ . ]" 1 31 2 7 DG Q2' 2 8 DT H6 . . 2.280 2.330 2.271 2.372 0.092 8 0 "[ . ]" 1 32 2 8 DT H1' 2 9 DC H6 . . 3.910 4.070 3.896 4.193 0.283 2 0 "[ . ]" 1 33 2 8 DT H6 2 9 DC H6 . . 3.440 4.887 4.838 4.977 1.537 5 8 [**-*+***] 1 34 2 9 DC H1' 2 9 DC H6 . . 3.100 3.749 3.739 3.758 0.658 4 8 [***+**-*] 1 35 2 8 DT H1' 2 9 DC H5 . . 4.080 5.035 4.944 5.093 1.013 4 8 [***+-***] 1 36 2 8 DT H6 2 9 DC H5 . . 3.760 3.992 3.934 4.076 0.316 8 0 "[ . ]" 1 37 2 9 DC H1' 2 9 DC H3' . . 3.700 3.834 3.804 3.869 0.169 7 0 "[ . ]" 1 38 2 9 DC H3' 2 9 DC H6 . . 3.180 3.986 3.790 4.094 0.914 4 8 [***+**-*] 1 39 2 9 DC H1' 2 9 DC Q2' . . 2.010 2.273 2.242 2.293 0.283 4 0 "[ . ]" 1 40 2 9 DC Q2' 2 9 DC H6 . . 2.150 2.333 2.244 2.439 0.289 7 0 "[ . ]" 1 41 2 9 DC Q2' 2 9 DC H3' . . 2.140 2.195 2.190 2.200 0.060 5 0 "[ . ]" 1 42 2 9 DC H1' 2 10 DC H6 . . 3.300 4.046 3.850 4.215 0.915 7 8 [***-**+*] 1 43 2 9 DC Q2' 2 10 DC H6 . . 2.050 2.200 2.161 2.240 0.190 6 0 "[ . ]" 1 44 2 9 DC H1' 2 10 DC H5 . . 3.430 4.928 4.838 5.055 1.625 6 8 [***-*+**] 1 45 2 9 DC H3' 2 10 DC H5 . . 4.020 5.476 5.116 5.674 1.654 4 8 [***+**-*] 1 46 2 9 DC Q2' 2 10 DC H5 . . 2.440 3.073 2.855 3.202 0.762 5 7 "[**-*+* *]" 1 47 2 10 DC H1' 2 10 DC H3' . . 3.700 3.794 3.777 3.811 0.111 7 0 "[ . ]" 1 48 2 10 DC H1' 2 10 DC Q2' . . 2.340 2.298 2.290 2.304 . 0 0 "[ . ]" 1 49 2 10 DC Q2' 2 10 DC H6 . . 1.770 2.271 2.248 2.307 0.537 5 3 "[ +*- ]" 1 50 2 10 DC Q2' 2 10 DC H5 . . 3.380 4.332 4.321 4.349 0.969 3 8 [**+**-**] 1 51 2 10 DC H1' 2 11 DG H8 . . 3.720 4.238 4.144 4.328 0.608 7 5 "[- **+*]" 1 52 2 10 DC Q2' 2 11 DG H8 . . 2.530 2.377 2.337 2.413 . 0 0 "[ . ]" 1 53 2 11 DG H1' 2 11 DG H8 . . 3.300 3.912 3.902 3.917 0.617 6 8 [*****+-*] 1 54 2 11 DG H1' 2 11 DG H3' . . 3.370 3.753 3.733 3.787 0.417 2 0 "[ . ]" 1 55 2 11 DG H3' 2 11 DG H8 . . 3.020 4.513 4.421 4.562 1.542 1 8 [+-******] 1 56 2 11 DG H1' 2 11 DG Q2' . . 1.830 2.322 2.313 2.330 0.500 8 0 "[ . ]" 1 57 2 11 DG Q2' 2 11 DG H3' . . 2.210 2.218 2.209 2.226 0.016 7 0 "[ . ]" 1 58 1 1 DC H1' 1 1 DC H6 . . 2.830 3.649 3.590 3.682 0.852 7 8 [-*****+*] 1 59 1 1 DC H1' 1 1 DC H3' . . 3.610 3.651 3.637 3.660 0.050 1 0 "[ . ]" 1 60 1 1 DC H3' 1 1 DC H6 . . 3.460 4.509 4.498 4.531 1.071 3 8 [*-+*****] 1 61 1 1 DC H1' 1 1 DC Q2' . . 1.850 2.341 2.337 2.345 0.495 3 0 "[ . ]" 1 62 1 1 DC Q2' 1 1 DC H6 . . 2.160 2.106 2.099 2.116 . 0 0 "[ . ]" 1 63 1 1 DC Q2' 1 1 DC H5 . . 3.430 4.249 4.235 4.262 0.832 7 8 [-*****+*] 1 64 1 1 DC Q2' 1 1 DC H3' . . 2.140 2.223 2.221 2.230 0.090 3 0 "[ . ]" 1 65 1 1 DC H1' 1 2 DG H8 . . 2.590 2.624 2.530 2.795 0.205 2 0 "[ . ]" 1 66 1 1 DC H6 1 2 DG H8 . . 4.100 5.411 5.318 5.532 1.432 2 8 [*+-*****] 1 67 1 1 DC Q2' 1 2 DG H8 . . 3.020 2.981 2.921 3.203 0.183 1 0 "[ . ]" 1 68 1 2 DG H1' 1 2 DG H8 . . 3.340 3.908 3.904 3.911 0.571 4 8 [*-*+****] 1 69 1 2 DG H3' 1 2 DG H8 . . 3.170 4.354 4.308 4.416 1.246 8 8 [******-+] 1 70 1 2 DG H1' 1 3 DG H8 . . 3.380 3.649 3.544 3.740 0.360 6 0 "[ . ]" 1 71 1 3 DG H1' 1 3 DG H8 . . 3.870 3.907 3.904 3.909 0.039 7 0 "[ . ]" 1 72 1 3 DG H1' 1 3 DG H3' . . 3.430 3.806 3.793 3.825 0.395 6 0 "[ . ]" 1 73 1 3 DG H3' 1 3 DG H8 . . 3.330 4.407 4.336 4.459 1.129 3 8 [**+**-**] 1 74 1 3 DG H1' 1 3 DG H2'' . . 2.150 2.390 2.376 2.400 0.250 3 0 "[ . ]" 1 75 1 3 DG H1' 1 4 DA H8 . . 3.390 4.005 3.879 4.133 0.743 8 7 "[ **-***+]" 1 76 1 3 DG H8 1 4 DA H8 . . 3.960 4.776 4.475 4.994 1.034 4 8 [***+-***] 1 77 1 3 DG H2'' 1 4 DA H8 . . 2.730 2.430 2.314 2.605 . 0 0 "[ . ]" 1 78 1 4 DA H1' 1 4 DA H8 . . 3.400 3.909 3.904 3.914 0.514 8 8 [-******+] 1 79 1 4 DA H1' 1 4 DA H3' . . 3.420 3.863 3.848 3.876 0.456 1 0 "[ . ]" 1 80 1 4 DA H1' 1 4 DA Q2' . . 2.440 2.280 2.270 2.290 . 0 0 "[ . ]" 1 81 1 4 DA Q2' 1 4 DA H8 . . 2.430 2.479 2.373 2.604 0.174 5 0 "[ . ]" 1 82 1 4 DA H2 1 5 DC H1' . . 3.510 4.232 3.983 4.427 0.917 2 7 "[*+-**** ]" 1 83 1 4 DA H1' 1 5 DC H6 . . 3.700 3.959 3.799 4.107 0.407 5 0 "[ . ]" 1 84 1 4 DA H8 1 5 DC H6 . . 4.070 4.782 4.623 4.923 0.853 6 8 [*-***+**] 1 85 1 4 DA H3' 1 5 DC H6 . . 4.060 4.866 4.791 4.975 0.915 8 8 [-******+] 1 86 1 4 DA Q2' 1 5 DC H6 . . 2.340 2.272 2.247 2.302 . 0 0 "[ . ]" 1 87 1 5 DC H1' 1 5 DC H6 . . 3.700 3.732 3.725 3.738 0.038 7 0 "[ . ]" 1 88 1 4 DA H1' 1 5 DC H5 . . 4.960 4.959 4.847 5.099 0.139 5 0 "[ . ]" 1 89 1 5 DC H1' 1 5 DC H3' . . 3.360 3.878 3.870 3.889 0.529 6 8 [*-***+**] 1 90 1 5 DC H3' 1 5 DC H6 . . 3.220 3.665 3.612 3.711 0.491 8 0 "[ . ]" 1 91 1 5 DC H1' 1 5 DC Q2' . . 2.740 2.228 2.222 2.235 . 0 0 "[ . ]" 1 92 1 5 DC Q2' 1 5 DC H6 . . 2.180 2.569 2.499 2.644 0.464 8 0 "[ . ]" 1 93 1 5 DC Q2' 1 5 DC H5 . . 3.410 4.428 4.392 4.465 1.055 8 8 [******-+] 1 94 1 5 DC Q2' 1 5 DC H3' . . 2.230 2.189 2.187 2.193 . 0 0 "[ . ]" 1 95 1 7 DA H1' 1 8 DG H8 . . 3.430 3.725 3.563 3.941 0.511 8 1 "[ . +]" 1 96 1 7 DA H8 1 8 DG H8 . . 3.740 4.161 3.966 4.335 0.595 3 2 "[ + . - ]" 1 97 1 8 DG H1' 1 8 DG H8 . . 3.660 3.912 3.906 3.917 0.257 6 0 "[ . ]" 1 98 1 8 DG H1' 1 8 DG H2'' . . 2.370 2.398 2.391 2.408 0.038 6 0 "[ . ]" 1 99 1 8 DG H1' 1 9 DA H8 . . 3.280 3.836 3.696 3.948 0.668 4 6 "[*-*+. **]" 1 100 1 8 DG H8 1 9 DA H8 . . 4.350 4.763 4.458 5.018 0.668 6 3 "[ - *.+ ]" 1 101 1 8 DG H3' 1 9 DA H8 . . 4.080 5.096 5.022 5.297 1.217 8 8 [*-*****+] 1 102 1 9 DA H1' 1 9 DA H8 . . 3.380 3.907 3.893 3.912 0.532 7 8 [******+-] 1 103 1 9 DA H3' 1 9 DA H8 . . 2.930 4.319 4.265 4.382 1.452 6 8 [*****+*-] 1 104 1 9 DA H1' 1 9 DA Q2' . . 2.220 2.291 2.271 2.298 0.078 4 0 "[ . ]" 1 105 1 9 DA Q2' 1 9 DA H8 . . 2.240 2.511 2.366 2.718 0.478 8 0 "[ . ]" 1 106 1 9 DA H1' 1 10 DA H8 . . 3.530 3.892 3.631 4.160 0.630 8 1 "[ . +]" 1 107 1 10 DA H1' 1 10 DA H8 . . 3.280 3.913 3.909 3.916 0.636 8 8 [*****-*+] 1 108 1 10 DA H1' 1 10 DA H3' . . 3.390 3.822 3.802 3.859 0.469 6 0 "[ . ]" 1 109 1 10 DA H8 1 11 DG H8 . . 3.740 4.334 4.269 4.400 0.660 6 8 [**-**+**] 1 110 1 10 DA H3' 1 11 DG H8 . . 4.620 5.052 4.943 5.142 0.522 3 2 "[- + . ]" 1 111 1 10 DA H2'' 1 11 DG H8 . . 3.160 2.468 2.365 2.627 . 0 0 "[ . ]" 1 112 1 11 DG H1' 1 11 DG H3' . . 3.340 3.750 3.739 3.796 0.456 8 0 "[ . ]" 1 113 1 11 DG H3' 1 11 DG H8 . . 3.540 4.543 4.418 4.588 1.048 7 8 [******+-] 1 114 1 11 DG H1' 1 11 DG Q2' . . 1.870 2.326 2.318 2.329 0.459 6 0 "[ . ]" 1 115 1 11 DG Q2' 1 11 DG H3' . . 1.950 2.215 2.194 2.224 0.274 6 0 "[ . ]" 1 116 2 2 DT H1' 2 3 DT H6 . . 4.170 4.106 4.070 4.168 . 0 0 "[ . ]" 1 117 2 3 DT H1' 2 3 DT H6 . . 3.640 3.759 3.757 3.761 0.121 4 0 "[ . ]" 1 118 1 7 DA H1' 1 7 DA H3' . . 3.280 3.918 3.903 3.931 0.651 2 8 [*+*-****] 1 119 1 7 DA H1' 1 7 DA Q2' . . 2.010 2.242 2.238 2.247 0.237 8 0 "[ . ]" 1 120 1 7 DA Q2' 1 7 DA H8 . . 2.190 2.291 2.262 2.322 0.132 7 0 "[ . ]" 1 121 1 7 DA H2 1 8 DG H1' . . 5.130 4.972 4.859 5.182 0.052 3 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 42 _Distance_constraint_stats_list.Viol_count 329 _Distance_constraint_stats_list.Viol_total 270.232 _Distance_constraint_stats_list.Viol_max 0.259 _Distance_constraint_stats_list.Viol_rms 0.0577 _Distance_constraint_stats_list.Viol_average_all_restraints 0.1005 _Distance_constraint_stats_list.Viol_average_violations_only 0.1027 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 1 DC 3.355 0.111 6 0 "[ . ]" 1 2 DG 2.897 0.090 4 0 "[ . ]" 1 3 DG 2.982 0.099 3 0 "[ . ]" 1 4 DA 3.525 0.199 6 0 "[ . ]" 1 5 DC 2.982 0.094 3 0 "[ . ]" 1 7 DA 3.734 0.259 7 0 "[ . ]" 1 8 DG 3.206 0.125 8 0 "[ . ]" 1 9 DA 3.768 0.222 5 0 "[ . ]" 1 10 DA 3.601 0.235 6 0 "[ . ]" 1 11 DG 3.729 0.149 3 0 "[ . ]" 2 1 DC 3.729 0.149 3 0 "[ . ]" 2 2 DT 3.601 0.235 6 0 "[ . ]" 2 3 DT 3.768 0.222 5 0 "[ . ]" 2 4 DC 3.206 0.125 8 0 "[ . ]" 2 5 DT 3.734 0.259 7 0 "[ . ]" 2 7 DG 2.982 0.094 3 0 "[ . ]" 2 8 DT 3.525 0.199 6 0 "[ . ]" 2 9 DC 2.982 0.099 3 0 "[ . ]" 2 10 DC 2.897 0.090 4 0 "[ . ]" 2 11 DG 3.355 0.111 6 0 "[ . ]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 11 DG O6 2 1 DC H42 . . 1.800 1.914 1.900 1.949 0.149 3 0 "[ . ]" 2 2 1 11 DG H1 2 1 DC N3 . . 1.840 1.923 1.916 1.928 0.088 5 0 "[ . ]" 2 3 1 11 DG N1 2 1 DC N3 . . 2.850 2.920 2.915 2.926 0.076 6 0 "[ . ]" 2 4 1 11 DG O6 2 1 DC N4 . . 2.810 2.924 2.911 2.957 0.147 3 0 "[ . ]" 2 5 1 11 DG H22 2 1 DC O2 . . 1.750 1.835 1.825 1.849 0.099 4 0 "[ . ]" 2 6 1 10 DA N1 2 2 DT H3 . . 1.710 1.928 1.905 1.945 0.235 6 0 "[ . ]" 2 7 1 10 DA N1 2 2 DT N3 . . 2.720 2.927 2.911 2.940 0.220 6 0 "[ . ]" 2 8 1 10 DA H61 2 2 DT O4 . . 1.840 1.866 1.853 1.882 0.042 7 0 "[ . ]" 2 9 1 9 DA N1 2 3 DT H3 . . 1.710 1.918 1.903 1.932 0.222 5 0 "[ . ]" 2 10 1 9 DA N1 2 3 DT N3 . . 2.720 2.917 2.895 2.933 0.213 4 0 "[ . ]" 2 11 1 9 DA H61 2 3 DT O4 . . 1.840 1.906 1.888 1.942 0.102 3 0 "[ . ]" 2 12 1 8 DG O6 2 4 DC H42 . . 1.800 1.887 1.856 1.925 0.125 8 0 "[ . ]" 2 13 1 8 DG H1 2 4 DC N3 . . 1.840 1.923 1.915 1.934 0.094 4 0 "[ . ]" 2 14 1 8 DG N1 2 4 DC N3 . . 2.850 2.921 2.916 2.928 0.078 4 0 "[ . ]" 2 15 1 8 DG O6 2 4 DC N4 . . 2.810 2.895 2.868 2.935 0.125 8 0 "[ . ]" 2 16 1 8 DG H22 2 4 DC O2 . . 1.750 1.825 1.809 1.838 0.088 3 0 "[ . ]" 2 17 1 7 DA N1 2 5 DT H3 . . 1.710 1.951 1.912 1.969 0.259 7 0 "[ . ]" 2 18 1 7 DA N1 2 5 DT N3 . . 2.720 2.943 2.907 2.961 0.241 7 0 "[ . ]" 2 19 1 7 DA H61 2 5 DT O4 . . 1.840 1.829 1.819 1.861 0.021 3 0 "[ . ]" 2 20 1 5 DC N3 2 7 DG H1 . . 1.840 1.926 1.920 1.934 0.094 3 0 "[ . ]" 2 21 1 5 DC O2 2 7 DG H22 . . 1.750 1.815 1.804 1.823 0.073 1 0 "[ . ]" 2 22 1 5 DC N3 2 7 DG N1 . . 2.850 2.926 2.922 2.931 0.081 3 0 "[ . ]" 2 23 1 5 DC H42 2 7 DG O6 . . 1.800 1.871 1.860 1.880 0.080 3 0 "[ . ]" 2 24 1 5 DC N4 2 7 DG O6 . . 2.810 2.884 2.874 2.891 0.081 3 0 "[ . ]" 2 25 1 4 DA N1 2 8 DT H3 . . 1.710 1.905 1.898 1.909 0.199 6 0 "[ . ]" 2 26 1 4 DA N1 2 8 DT N3 . . 2.720 2.914 2.908 2.919 0.199 6 0 "[ . ]" 2 27 1 4 DA H61 2 8 DT O4 . . 1.840 1.892 1.880 1.900 0.060 1 0 "[ . ]" 2 28 1 3 DG O6 2 9 DC H42 . . 1.800 1.871 1.860 1.879 0.079 1 0 "[ . ]" 2 29 1 3 DG H1 2 9 DC N3 . . 1.840 1.915 1.910 1.921 0.081 5 0 "[ . ]" 2 30 1 3 DG N1 2 9 DC N3 . . 2.850 2.916 2.910 2.922 0.072 6 0 "[ . ]" 2 31 1 3 DG O6 2 9 DC N4 . . 2.810 2.885 2.874 2.893 0.083 1 0 "[ . ]" 2 32 1 3 DG H22 2 9 DC O2 . . 1.750 1.835 1.827 1.849 0.099 3 0 "[ . ]" 2 33 1 2 DG O6 2 10 DC H42 . . 1.800 1.870 1.859 1.890 0.090 4 0 "[ . ]" 2 34 1 2 DG H1 2 10 DC N3 . . 1.840 1.922 1.918 1.926 0.086 1 0 "[ . ]" 2 35 1 2 DG N1 2 10 DC N3 . . 2.850 2.921 2.915 2.926 0.076 1 0 "[ . ]" 2 36 1 2 DG O6 2 10 DC N4 . . 2.810 2.881 2.872 2.900 0.090 4 0 "[ . ]" 2 37 1 2 DG H22 2 10 DC O2 . . 1.750 1.817 1.800 1.829 0.079 5 0 "[ . ]" 2 38 1 1 DC N3 2 11 DG H1 . . 1.840 1.931 1.920 1.936 0.096 3 0 "[ . ]" 2 39 1 1 DC O2 2 11 DG H22 . . 1.750 1.808 1.798 1.819 0.069 3 0 "[ . ]" 2 40 1 1 DC N3 2 11 DG N1 . . 2.850 2.927 2.919 2.936 0.086 1 0 "[ . ]" 2 41 1 1 DC H42 2 11 DG O6 . . 1.800 1.897 1.882 1.911 0.111 6 0 "[ . ]" 2 42 1 1 DC N4 2 11 DG O6 . . 2.810 2.907 2.896 2.916 0.106 1 0 "[ . ]" 2 stop_ save_
Contact the webmaster for help, if required. Tuesday, May 21, 2024 6:14:39 PM GMT (wattos1)