NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
512194 | 2l7d | 17351 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l7d 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 202 _Distance_constraint_stats_list.Viol_count 132 _Distance_constraint_stats_list.Viol_total 92.506 _Distance_constraint_stats_list.Viol_max 0.453 _Distance_constraint_stats_list.Viol_rms 0.0672 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0183 _Distance_constraint_stats_list.Viol_average_violations_only 0.1402 _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 3.235 0.394 2 0 "[ .]" 1 2 DG 1.462 0.298 4 0 "[ .]" 1 3 DC 0.009 0.009 1 0 "[ .]" 1 4 DG 0.000 0.000 . 0 "[ .]" 1 5 DA 0.233 0.086 1 0 "[ .]" 1 6 DA 3.337 0.453 1 0 "[ .]" 1 7 DT 0.642 0.130 4 0 "[ .]" 1 8 DT 0.355 0.073 1 0 "[ .]" 1 9 DC 0.000 0.000 . 0 "[ .]" 1 10 DG 0.325 0.077 1 0 "[ .]" 1 11 DC 0.075 0.052 1 0 "[ .]" 1 12 DG 0.743 0.119 1 0 "[ .]" 2 1 DC 3.237 0.395 2 0 "[ .]" 2 2 DG 1.465 0.298 4 0 "[ .]" 2 3 DC 0.011 0.011 1 0 "[ .]" 2 4 DG 0.000 0.000 . 0 "[ .]" 2 5 DA 0.234 0.086 1 0 "[ .]" 2 6 DA 3.339 0.453 1 0 "[ .]" 2 7 DT 0.644 0.130 2 0 "[ .]" 2 8 DT 0.357 0.075 1 0 "[ .]" 2 9 DC 0.000 0.000 . 0 "[ .]" 2 10 DG 0.322 0.075 1 0 "[ .]" 2 11 DC 0.074 0.052 1 0 "[ .]" 2 12 DG 0.745 0.119 4 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 DA H1' 1 5 DA H8 4.530 . 4.530 3.892 3.890 3.895 . 0 0 "[ .]" 1 2 2 5 DA H1' 2 5 DA H8 4.530 . 4.530 3.893 3.891 3.895 . 0 0 "[ .]" 1 3 1 5 DA H1' 1 6 DA H8 4.440 . 4.440 3.496 3.461 3.547 . 0 0 "[ .]" 1 4 2 5 DA H1' 2 6 DA H8 4.440 . 4.440 3.497 3.460 3.547 . 0 0 "[ .]" 1 5 1 12 DG H1' 1 12 DG H8 4.890 . 4.890 3.887 3.886 3.888 . 0 0 "[ .]" 1 6 2 12 DG H1' 2 12 DG H8 4.890 . 4.890 3.887 3.886 3.887 . 0 0 "[ .]" 1 7 1 2 DG H1' 1 2 DG H8 4.430 . 4.430 3.881 3.880 3.883 . 0 0 "[ .]" 1 8 2 2 DG H1' 2 2 DG H8 4.430 . 4.430 3.881 3.878 3.883 . 0 0 "[ .]" 1 9 1 10 DG H1' 1 10 DG H8 4.410 . 4.410 3.891 3.890 3.892 . 0 0 "[ .]" 1 10 2 10 DG H1' 2 10 DG H8 4.410 . 4.410 3.890 3.889 3.891 . 0 0 "[ .]" 1 11 1 3 DC H1' 1 4 DG H8 4.010 . 4.010 3.672 3.618 3.725 . 0 0 "[ .]" 1 12 2 3 DC H1' 2 4 DG H8 4.010 . 4.010 3.670 3.618 3.722 . 0 0 "[ .]" 1 13 1 11 DC H1' 1 12 DG H8 4.020 . 4.020 4.035 4.019 4.072 0.052 1 0 "[ .]" 1 14 2 11 DC H1' 2 12 DG H8 4.020 . 4.020 4.034 4.018 4.072 0.052 1 0 "[ .]" 1 15 1 9 DC H1' 1 10 DG H8 4.320 . 4.320 3.594 3.565 3.611 . 0 0 "[ .]" 1 16 2 9 DC H1' 2 10 DG H8 4.320 . 4.320 3.595 3.567 3.612 . 0 0 "[ .]" 1 17 1 10 DG H8 1 11 DC H5 5.020 . 5.020 3.900 3.863 3.920 . 0 0 "[ .]" 1 18 2 10 DG H8 2 11 DC H5 5.020 . 5.020 3.899 3.861 3.920 . 0 0 "[ .]" 1 19 1 2 DG H8 1 3 DC H5 5.650 . 5.650 3.931 3.841 3.978 . 0 0 "[ .]" 1 20 2 2 DG H8 2 3 DC H5 5.650 . 5.650 3.934 3.844 3.980 . 0 0 "[ .]" 1 21 1 6 DA H1' 1 6 DA H2 4.400 . 4.400 4.492 4.490 4.492 0.092 2 0 "[ .]" 1 22 2 6 DA H1' 2 6 DA H2 4.400 . 4.400 4.492 4.489 4.493 0.093 4 0 "[ .]" 1 23 1 8 DT H1' 1 9 DC H6 4.390 . 4.390 3.608 3.579 3.627 . 0 0 "[ .]" 1 24 2 8 DT H1' 2 9 DC H6 4.390 . 4.390 3.610 3.578 3.635 . 0 0 "[ .]" 1 25 1 8 DT H1' 1 8 DT H6 4.270 . 4.270 3.706 3.704 3.708 . 0 0 "[ .]" 1 26 2 8 DT H1' 2 8 DT H6 4.270 . 4.270 3.705 3.704 3.707 . 0 0 "[ .]" 1 27 1 5 DA H1' 1 5 DA H2 5.300 . 5.300 4.487 4.482 4.489 . 0 0 "[ .]" 1 28 2 5 DA H1' 2 5 DA H2 5.300 . 5.300 4.486 4.481 4.489 . 0 0 "[ .]" 1 29 1 6 DA H1' 1 7 DT H6 4.790 . 4.790 3.421 3.379 3.451 . 0 0 "[ .]" 1 30 2 6 DA H1' 2 7 DT H6 4.790 . 4.790 3.422 3.379 3.451 . 0 0 "[ .]" 1 31 1 7 DT H1' 1 7 DT H6 4.700 . 4.700 3.710 3.710 3.711 . 0 0 "[ .]" 1 32 2 7 DT H1' 2 7 DT H6 4.700 . 4.700 3.711 3.710 3.712 . 0 0 "[ .]" 1 33 1 2 DG H1' 1 3 DC H6 3.730 . 3.730 3.609 3.546 3.633 . 0 0 "[ .]" 1 34 2 2 DG H1' 2 3 DC H6 3.730 . 3.730 3.610 3.548 3.635 . 0 0 "[ .]" 1 35 1 3 DC H1' 1 3 DC H6 4.340 . 4.340 3.718 3.716 3.720 . 0 0 "[ .]" 1 36 2 3 DC H1' 2 3 DC H6 4.340 . 4.340 3.717 3.716 3.720 . 0 0 "[ .]" 1 37 1 11 DC H1' 1 11 DC H6 5.080 . 5.080 3.711 3.709 3.716 . 0 0 "[ .]" 1 38 2 11 DC H1' 2 11 DC H6 5.080 . 5.080 3.711 3.709 3.716 . 0 0 "[ .]" 1 39 1 10 DG H1' 1 11 DC H6 3.960 . 3.960 3.683 3.621 3.727 . 0 0 "[ .]" 1 40 2 10 DG H1' 2 11 DC H6 3.960 . 3.960 3.683 3.622 3.727 . 0 0 "[ .]" 1 41 1 7 DT H1' 1 8 DT H6 4.580 . 4.580 3.745 3.718 3.766 . 0 0 "[ .]" 1 42 2 7 DT H1' 2 8 DT H6 4.580 . 4.580 3.745 3.719 3.765 . 0 0 "[ .]" 1 43 1 8 DT H6 1 9 DC H5 5.570 . 5.570 3.734 3.718 3.743 . 0 0 "[ .]" 1 44 2 8 DT H6 2 9 DC H5 5.570 . 5.570 3.735 3.716 3.745 . 0 0 "[ .]" 1 45 1 9 DC H1' 1 9 DC H6 5.010 . 5.010 3.709 3.708 3.711 . 0 0 "[ .]" 1 46 2 9 DC H1' 2 9 DC H6 5.010 . 5.010 3.709 3.707 3.712 . 0 0 "[ .]" 1 47 1 5 DA H2 2 9 DC H1' 5.800 . 5.800 4.843 4.770 4.885 . 0 0 "[ .]" 1 48 1 9 DC H1' 2 5 DA H2 5.800 . 5.800 4.843 4.767 4.885 . 0 0 "[ .]" 1 49 1 1 DC H1' 1 1 DC H6 3.340 . 3.340 3.691 3.687 3.697 0.357 2 0 "[ .]" 1 50 2 1 DC H1' 2 1 DC H6 3.340 . 3.340 3.691 3.687 3.697 0.357 2 0 "[ .]" 1 51 1 6 DA H1' 1 6 DA H8 3.440 . 3.440 3.892 3.891 3.893 0.453 1 0 "[ .]" 1 52 2 6 DA H1' 2 6 DA H8 3.440 . 3.440 3.892 3.890 3.893 0.453 1 0 "[ .]" 1 53 1 5 DA H2' 1 5 DA H8 2.250 . 2.250 2.297 2.281 2.336 0.086 1 0 "[ .]" 1 54 2 5 DA H2' 2 5 DA H8 2.250 . 2.250 2.297 2.279 2.336 0.086 1 0 "[ .]" 1 55 1 6 DA H2' 1 6 DA H8 2.320 . 2.320 2.277 2.272 2.293 . 0 0 "[ .]" 1 56 2 6 DA H2' 2 6 DA H8 2.320 . 2.320 2.277 2.271 2.293 . 0 0 "[ .]" 1 57 1 5 DA H2'' 1 6 DA H8 2.670 . 2.670 2.168 2.133 2.186 . 0 0 "[ .]" 1 58 2 5 DA H2'' 2 6 DA H8 2.670 . 2.670 2.167 2.132 2.184 . 0 0 "[ .]" 1 59 1 6 DA H2'' 1 7 DT H6 2.810 . 2.810 2.162 2.140 2.178 . 0 0 "[ .]" 1 60 2 6 DA H2'' 2 7 DT H6 2.810 . 2.810 2.162 2.140 2.177 . 0 0 "[ .]" 1 61 1 7 DT H2' 1 7 DT H6 2.460 . 2.460 2.200 2.195 2.202 . 0 0 "[ .]" 1 62 2 7 DT H2' 2 7 DT H6 2.460 . 2.460 2.200 2.195 2.202 . 0 0 "[ .]" 1 63 1 7 DT H6 1 8 DT M7 4.210 . 4.210 2.718 2.649 2.827 . 0 0 "[ .]" 1 64 2 7 DT H6 2 8 DT M7 4.210 . 4.210 2.718 2.649 2.828 . 0 0 "[ .]" 1 65 1 6 DA H8 1 7 DT M7 3.840 . 3.840 2.651 2.542 2.699 . 0 0 "[ .]" 1 66 2 6 DA H8 2 7 DT M7 3.840 . 3.840 2.651 2.541 2.701 . 0 0 "[ .]" 1 67 1 2 DG H2'' 1 3 DC H6 2.860 . 2.860 2.218 2.162 2.249 . 0 0 "[ .]" 1 68 2 2 DG H2'' 2 3 DC H6 2.860 . 2.860 2.219 2.163 2.249 . 0 0 "[ .]" 1 69 1 3 DC H2' 1 3 DC H6 2.310 . 2.310 2.105 2.070 2.140 . 0 0 "[ .]" 1 70 2 3 DC H2' 2 3 DC H6 2.310 . 2.310 2.104 2.070 2.138 . 0 0 "[ .]" 1 71 1 11 DC H2' 1 11 DC H6 2.200 . 2.200 1.991 1.968 2.045 . 0 0 "[ .]" 1 72 2 11 DC H2' 2 11 DC H6 2.200 . 2.200 1.990 1.967 2.044 . 0 0 "[ .]" 1 73 1 8 DT H2' 1 8 DT H6 2.210 . 2.210 2.047 2.017 2.060 . 0 0 "[ .]" 1 74 2 8 DT H2' 2 8 DT H6 2.210 . 2.210 2.046 2.016 2.060 . 0 0 "[ .]" 1 75 1 10 DG H2'' 1 11 DC H6 2.670 . 2.670 2.206 2.184 2.223 . 0 0 "[ .]" 1 76 2 10 DG H2'' 2 11 DC H6 2.670 . 2.670 2.207 2.186 2.222 . 0 0 "[ .]" 1 77 1 7 DT H2'' 1 8 DT H6 2.200 . 2.200 2.119 2.106 2.130 . 0 0 "[ .]" 1 78 2 7 DT H2'' 2 8 DT H6 2.200 . 2.200 2.119 2.108 2.128 . 0 0 "[ .]" 1 79 1 8 DT H2'' 1 9 DC H6 2.810 . 2.810 2.058 2.035 2.083 . 0 0 "[ .]" 1 80 2 8 DT H2'' 2 9 DC H6 2.810 . 2.810 2.060 2.034 2.083 . 0 0 "[ .]" 1 81 1 9 DC H2' 1 9 DC H6 2.200 . 2.200 1.966 1.954 1.978 . 0 0 "[ .]" 1 82 2 9 DC H2' 2 9 DC H6 2.200 . 2.200 1.965 1.947 1.977 . 0 0 "[ .]" 1 83 1 1 DC H2' 1 1 DC H6 2.400 . 2.400 2.021 1.812 2.794 0.394 2 0 "[ .]" 1 84 2 1 DC H2' 2 1 DC H6 2.400 . 2.400 2.021 1.813 2.795 0.395 2 0 "[ .]" 1 85 1 3 DC H2'' 1 4 DG H8 2.540 . 2.540 2.038 2.001 2.064 . 0 0 "[ .]" 1 86 2 3 DC H2'' 2 4 DG H8 2.540 . 2.540 2.038 2.000 2.064 . 0 0 "[ .]" 1 87 1 9 DC H2'' 1 10 DG H8 3.070 . 3.070 2.250 2.238 2.265 . 0 0 "[ .]" 1 88 2 9 DC H2'' 2 10 DG H8 3.070 . 3.070 2.251 2.238 2.265 . 0 0 "[ .]" 1 89 1 1 DC H2'' 1 2 DG H8 2.790 . 2.790 2.312 2.166 2.813 0.023 2 0 "[ .]" 1 90 2 1 DC H2'' 2 2 DG H8 2.790 . 2.790 2.311 2.165 2.813 0.023 2 0 "[ .]" 1 91 1 11 DC H2' 1 12 DG H8 3.520 . 3.520 3.345 3.235 3.419 . 0 0 "[ .]" 1 92 2 11 DC H2' 2 12 DG H8 3.520 . 3.520 3.345 3.237 3.419 . 0 0 "[ .]" 1 93 1 1 DC H2' 1 2 DG H8 3.420 . 3.420 3.414 2.325 3.718 0.298 4 0 "[ .]" 1 94 2 1 DC H2' 2 2 DG H8 3.420 . 3.420 3.414 2.325 3.718 0.298 4 0 "[ .]" 1 95 1 11 DC H2'' 1 12 DG H8 2.790 . 2.790 2.220 2.207 2.229 . 0 0 "[ .]" 1 96 2 11 DC H2'' 2 12 DG H8 2.790 . 2.790 2.220 2.207 2.228 . 0 0 "[ .]" 1 97 1 10 DG H2' 1 10 DG H8 2.200 . 2.200 2.265 2.253 2.277 0.077 1 0 "[ .]" 1 98 2 10 DG H2' 2 10 DG H8 2.200 . 2.200 2.264 2.253 2.275 0.075 1 0 "[ .]" 1 99 1 2 DG H2' 1 2 DG H8 2.230 . 2.230 2.194 2.183 2.203 . 0 0 "[ .]" 1 100 2 2 DG H2' 2 2 DG H8 2.230 . 2.230 2.195 2.182 2.203 . 0 0 "[ .]" 1 101 1 12 DG H2' 1 12 DG H8 2.200 . 2.200 2.216 2.214 2.222 0.022 2 0 "[ .]" 1 102 2 12 DG H2' 2 12 DG H8 2.200 . 2.200 2.216 2.214 2.221 0.021 2 0 "[ .]" 1 103 1 12 DG H1' 1 12 DG H2'' 2.200 . 2.200 2.318 2.317 2.319 0.119 1 0 "[ .]" 1 104 2 12 DG H1' 2 12 DG H2'' 2.200 . 2.200 2.318 2.317 2.319 0.119 4 0 "[ .]" 1 105 1 8 DT H1' 1 8 DT H2'' 2.260 . 2.260 2.331 2.330 2.333 0.073 1 0 "[ .]" 1 106 2 8 DT H1' 2 8 DT H2'' 2.260 . 2.260 2.331 2.330 2.335 0.075 1 0 "[ .]" 1 107 1 5 DA H1' 1 5 DA H2'' 2.380 . 2.380 2.327 2.323 2.329 . 0 0 "[ .]" 1 108 2 5 DA H1' 2 5 DA H2'' 2.380 . 2.380 2.327 2.323 2.329 . 0 0 "[ .]" 1 109 1 6 DA H1' 1 6 DA H2'' 2.200 . 2.200 2.324 2.324 2.325 0.125 5 0 "[ .]" 1 110 2 6 DA H1' 2 6 DA H2'' 2.200 . 2.200 2.325 2.324 2.325 0.125 2 0 "[ .]" 1 111 1 3 DC H1' 1 3 DC H2'' 2.540 . 2.540 2.327 2.325 2.331 . 0 0 "[ .]" 1 112 2 3 DC H1' 2 3 DC H2'' 2.540 . 2.540 2.325 2.323 2.330 . 0 0 "[ .]" 1 113 1 9 DC H1' 1 9 DC H2'' 2.720 . 2.720 2.342 2.342 2.343 . 0 0 "[ .]" 1 114 2 9 DC H1' 2 9 DC H2'' 2.720 . 2.720 2.342 2.341 2.343 . 0 0 "[ .]" 1 115 1 11 DC H1' 1 11 DC H2'' 2.560 . 2.560 2.328 2.326 2.329 . 0 0 "[ .]" 1 116 2 11 DC H1' 2 11 DC H2'' 2.560 . 2.560 2.329 2.326 2.331 . 0 0 "[ .]" 1 117 1 1 DC H1' 1 1 DC H2'' 2.470 . 2.470 2.325 2.284 2.336 . 0 0 "[ .]" 1 118 2 1 DC H1' 2 1 DC H2'' 2.470 . 2.470 2.324 2.284 2.335 . 0 0 "[ .]" 1 119 1 10 DG H2' 1 11 DC H5 3.390 . 3.390 3.195 3.155 3.231 . 0 0 "[ .]" 1 120 2 10 DG H2' 2 11 DC H5 3.390 . 3.390 3.195 3.153 3.232 . 0 0 "[ .]" 1 121 1 2 DG H2' 1 3 DC H5 3.620 . 3.620 3.266 3.162 3.322 . 0 0 "[ .]" 1 122 2 2 DG H2' 2 3 DC H5 3.620 . 3.620 3.268 3.164 3.324 . 0 0 "[ .]" 1 123 1 2 DG H2'' 1 3 DC H5 3.230 . 3.230 3.119 2.922 3.239 0.009 1 0 "[ .]" 1 124 2 2 DG H2'' 2 3 DC H5 3.230 . 3.230 3.120 2.924 3.241 0.011 1 0 "[ .]" 1 125 1 6 DA H3' 1 7 DT M7 6.000 . 6.000 4.052 4.014 4.081 . 0 0 "[ .]" 1 126 2 6 DA H3' 2 7 DT M7 6.000 . 6.000 4.053 4.015 4.082 . 0 0 "[ .]" 1 127 1 1 DC H2' 1 1 DC H3' 3.730 . 3.730 2.371 2.297 2.391 . 0 0 "[ .]" 1 128 2 1 DC H2' 2 1 DC H3' 3.730 . 3.730 2.370 2.297 2.390 . 0 0 "[ .]" 1 129 1 3 DC H2' 1 3 DC H3' 3.890 . 3.890 2.341 2.334 2.351 . 0 0 "[ .]" 1 130 2 3 DC H2' 2 3 DC H3' 3.890 . 3.890 2.341 2.334 2.351 . 0 0 "[ .]" 1 131 1 12 DG H2' 1 12 DG H3' 3.930 . 3.930 2.308 2.306 2.309 . 0 0 "[ .]" 1 132 2 12 DG H2' 2 12 DG H3' 3.930 . 3.930 2.308 2.305 2.309 . 0 0 "[ .]" 1 133 1 7 DT H1' 1 7 DT H2'' 2.200 . 2.200 2.328 2.327 2.330 0.130 4 0 "[ .]" 1 134 2 7 DT H1' 2 7 DT H2'' 2.200 . 2.200 2.329 2.328 2.330 0.130 2 0 "[ .]" 1 135 1 8 DT H2'' 1 9 DC H5 3.920 . 3.920 2.913 2.875 2.968 . 0 0 "[ .]" 1 136 2 8 DT H2'' 2 9 DC H5 3.920 . 3.920 2.914 2.879 2.967 . 0 0 "[ .]" 1 137 1 8 DT H2' 1 9 DC H5 3.410 . 3.410 2.902 2.859 2.957 . 0 0 "[ .]" 1 138 2 8 DT H2' 2 9 DC H5 3.410 . 3.410 2.904 2.865 2.960 . 0 0 "[ .]" 1 139 1 6 DA H2' 1 6 DA H3' 2.510 . 2.510 2.352 2.352 2.353 . 0 0 "[ .]" 1 140 2 6 DA H2' 2 6 DA H3' 2.510 . 2.510 2.352 2.351 2.353 . 0 0 "[ .]" 1 141 1 5 DA H2' 1 5 DA H3' 2.450 . 2.450 2.383 2.374 2.387 . 0 0 "[ .]" 1 142 2 5 DA H2' 2 5 DA H3' 2.450 . 2.450 2.383 2.373 2.387 . 0 0 "[ .]" 1 143 1 10 DG H2' 1 10 DG H3' 2.370 . 2.370 2.354 2.353 2.354 . 0 0 "[ .]" 1 144 2 10 DG H2' 2 10 DG H3' 2.370 . 2.370 2.353 2.352 2.354 . 0 0 "[ .]" 1 145 1 2 DG H2' 1 2 DG H3' 2.280 . 2.280 2.353 2.349 2.357 0.077 3 0 "[ .]" 1 146 2 2 DG H2' 2 2 DG H3' 2.280 . 2.280 2.353 2.349 2.357 0.077 1 0 "[ .]" 1 147 1 3 DC H2' 1 4 DG H3' 6.000 . 6.000 5.833 5.725 5.970 . 0 0 "[ .]" 1 148 2 3 DC H2' 2 4 DG H3' 6.000 . 6.000 5.832 5.722 5.970 . 0 0 "[ .]" 1 149 1 8 DT H2' 1 8 DT H3' 2.890 . 2.890 2.354 2.352 2.358 . 0 0 "[ .]" 1 150 2 8 DT H2' 2 8 DT H3' 2.890 . 2.890 2.353 2.351 2.356 . 0 0 "[ .]" 1 151 1 9 DC H2' 1 9 DC H3' 2.920 . 2.920 2.389 2.388 2.390 . 0 0 "[ .]" 1 152 2 9 DC H2' 2 9 DC H3' 2.920 . 2.920 2.388 2.387 2.389 . 0 0 "[ .]" 1 153 1 6 DA H2'' 1 7 DT H5' 5.130 . 5.130 3.282 3.265 3.298 . 0 0 "[ .]" 1 154 2 6 DA H2'' 2 7 DT H5' 5.130 . 5.130 3.283 3.266 3.302 . 0 0 "[ .]" 1 155 1 3 DC H2'' 1 4 DG H5' 5.260 . 5.260 4.048 3.898 4.222 . 0 0 "[ .]" 1 156 2 3 DC H2'' 2 4 DG H5' 5.260 . 5.260 4.047 3.897 4.221 . 0 0 "[ .]" 1 157 1 1 DC H3' 1 1 DC H5' 4.620 . 4.620 3.768 3.615 3.811 . 0 0 "[ .]" 1 158 2 1 DC H3' 2 1 DC H5' 4.620 . 4.620 3.768 3.614 3.811 . 0 0 "[ .]" 1 159 1 12 DG H3' 1 12 DG H4' 5.690 . 5.690 2.825 2.818 2.838 . 0 0 "[ .]" 1 160 2 12 DG H3' 2 12 DG H4' 5.690 . 5.690 2.825 2.819 2.838 . 0 0 "[ .]" 1 161 1 12 DG H3' 1 12 DG H5'' 4.370 . 4.370 2.622 2.602 2.656 . 0 0 "[ .]" 1 162 2 12 DG H3' 2 12 DG H5'' 4.370 . 4.370 2.621 2.603 2.656 . 0 0 "[ .]" 1 163 1 1 DC H3' 1 1 DC H4' 4.840 . 4.840 2.855 2.821 2.966 . 0 0 "[ .]" 1 164 2 1 DC H3' 2 1 DC H4' 4.840 . 4.840 2.855 2.822 2.966 . 0 0 "[ .]" 1 165 1 5 DA H3' 1 5 DA H4' 4.020 . 4.020 2.816 2.803 2.826 . 0 0 "[ .]" 1 166 2 5 DA H3' 2 5 DA H4' 4.020 . 4.020 2.816 2.803 2.827 . 0 0 "[ .]" 1 167 1 6 DA H3' 1 6 DA H4' 3.500 . 3.500 2.810 2.807 2.815 . 0 0 "[ .]" 1 168 2 6 DA H3' 2 6 DA H4' 3.500 . 3.500 2.810 2.807 2.815 . 0 0 "[ .]" 1 169 1 10 DG H3' 1 10 DG H4' 3.150 . 3.150 2.794 2.782 2.805 . 0 0 "[ .]" 1 170 2 10 DG H3' 2 10 DG H4' 3.150 . 3.150 2.794 2.783 2.804 . 0 0 "[ .]" 1 171 1 2 DG H3' 1 2 DG H4' 3.500 . 3.500 2.812 2.788 2.821 . 0 0 "[ .]" 1 172 2 2 DG H3' 2 2 DG H4' 3.500 . 3.500 2.812 2.789 2.821 . 0 0 "[ .]" 1 173 1 8 DT H3' 1 8 DT H4' 3.710 . 3.710 2.837 2.830 2.844 . 0 0 "[ .]" 1 174 2 8 DT H3' 2 8 DT H4' 3.710 . 3.710 2.838 2.831 2.844 . 0 0 "[ .]" 1 175 1 3 DC H3' 1 3 DC H4' 3.280 . 3.280 2.850 2.822 2.870 . 0 0 "[ .]" 1 176 2 3 DC H3' 2 3 DC H4' 3.280 . 3.280 2.850 2.822 2.870 . 0 0 "[ .]" 1 177 1 2 DG H3' 1 2 DG H5'' 3.230 . 3.230 2.664 2.617 2.691 . 0 0 "[ .]" 1 178 2 2 DG H3' 2 2 DG H5'' 3.230 . 3.230 2.664 2.617 2.692 . 0 0 "[ .]" 1 179 1 10 DG H3' 1 10 DG H5'' 3.230 . 3.230 2.636 2.624 2.651 . 0 0 "[ .]" 1 180 2 10 DG H3' 2 10 DG H5'' 3.230 . 3.230 2.635 2.622 2.650 . 0 0 "[ .]" 1 181 1 6 DA H3' 1 6 DA H5'' 2.980 . 2.980 2.641 2.632 2.667 . 0 0 "[ .]" 1 182 2 6 DA H3' 2 6 DA H5'' 2.980 . 2.980 2.641 2.633 2.666 . 0 0 "[ .]" 1 183 1 5 DA H3' 1 5 DA H5'' 3.280 . 3.280 2.545 2.480 2.574 . 0 0 "[ .]" 1 184 2 5 DA H3' 2 5 DA H5'' 3.280 . 3.280 2.545 2.481 2.573 . 0 0 "[ .]" 1 185 1 6 DA H1' 1 7 DT H5' 3.900 . 3.900 2.757 2.736 2.771 . 0 0 "[ .]" 1 186 2 6 DA H1' 2 7 DT H5' 3.900 . 3.900 2.758 2.738 2.774 . 0 0 "[ .]" 1 187 1 5 DA H1' 1 6 DA H5' 3.410 . 3.410 2.797 2.782 2.807 . 0 0 "[ .]" 1 188 2 5 DA H1' 2 6 DA H5' 3.410 . 3.410 2.796 2.781 2.808 . 0 0 "[ .]" 1 189 1 8 DT H1' 1 9 DC H5' 3.610 . 3.610 3.096 3.051 3.137 . 0 0 "[ .]" 1 190 2 8 DT H1' 2 9 DC H5' 3.610 . 3.610 3.096 3.053 3.136 . 0 0 "[ .]" 1 191 1 9 DC H1' 1 10 DG H5'' 5.460 . 5.460 4.735 4.717 4.750 . 0 0 "[ .]" 1 192 2 9 DC H1' 2 10 DG H5'' 5.460 . 5.460 4.734 4.718 4.750 . 0 0 "[ .]" 1 193 1 6 DA H2'' 1 7 DT M7 3.880 . 3.880 2.495 2.433 2.602 . 0 0 "[ .]" 1 194 2 6 DA H2'' 2 7 DT M7 3.880 . 3.880 2.496 2.433 2.604 . 0 0 "[ .]" 1 195 1 7 DT H2'' 1 8 DT M7 3.990 . 3.990 2.597 2.441 2.655 . 0 0 "[ .]" 1 196 2 7 DT H2'' 2 8 DT M7 3.990 . 3.990 2.597 2.442 2.655 . 0 0 "[ .]" 1 197 1 7 DT H2' 1 8 DT M7 3.270 . 3.270 2.142 2.132 2.154 . 0 0 "[ .]" 1 198 2 7 DT H2' 2 8 DT M7 3.270 . 3.270 2.142 2.131 2.155 . 0 0 "[ .]" 1 199 1 4 DG H3' 1 5 DA H8 6.000 . 6.000 3.613 3.547 3.688 . 0 0 "[ .]" 1 200 2 4 DG H3' 2 5 DA H8 6.000 . 6.000 3.612 3.547 3.687 . 0 0 "[ .]" 1 201 1 4 DG H3' 1 4 DG H8 3.930 . 3.930 2.871 2.772 2.928 . 0 0 "[ .]" 1 202 2 4 DG H3' 2 4 DG H8 3.930 . 3.930 2.872 2.770 2.929 . 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 72 _Distance_constraint_stats_list.Viol_count 0 _Distance_constraint_stats_list.Viol_total 0.000 _Distance_constraint_stats_list.Viol_max 0.000 _Distance_constraint_stats_list.Viol_rms 0.0000 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0000 _Distance_constraint_stats_list.Viol_average_violations_only 0.0000 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . 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 0.000 0.000 . 0 "[ .]" 1 2 DG 0.000 0.000 . 0 "[ .]" 1 3 DC 0.000 0.000 . 0 "[ .]" 1 4 DG 0.000 0.000 . 0 "[ .]" 1 5 DA 0.000 0.000 . 0 "[ .]" 1 6 DA 0.000 0.000 . 0 "[ .]" 1 7 DT 0.000 0.000 . 0 "[ .]" 1 8 DT 0.000 0.000 . 0 "[ .]" 1 9 DC 0.000 0.000 . 0 "[ .]" 1 10 DG 0.000 0.000 . 0 "[ .]" 1 11 DC 0.000 0.000 . 0 "[ .]" 1 12 DG 0.000 0.000 . 0 "[ .]" 2 1 DC 0.000 0.000 . 0 "[ .]" 2 2 DG 0.000 0.000 . 0 "[ .]" 2 3 DC 0.000 0.000 . 0 "[ .]" 2 4 DG 0.000 0.000 . 0 "[ .]" 2 5 DA 0.000 0.000 . 0 "[ .]" 2 6 DA 0.000 0.000 . 0 "[ .]" 2 7 DT 0.000 0.000 . 0 "[ .]" 2 8 DT 0.000 0.000 . 0 "[ .]" 2 9 DC 0.000 0.000 . 0 "[ .]" 2 10 DG 0.000 0.000 . 0 "[ .]" 2 11 DC 0.000 0.000 . 0 "[ .]" 2 12 DG 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 1 DC N3 2 12 DG N1 2.870 2.670 3.070 2.853 2.845 2.858 . 0 0 "[ .]" 2 2 1 1 DC N3 2 12 DG H1 1.860 . 2.060 1.843 1.834 1.846 . 0 0 "[ .]" 2 3 1 1 DC N4 2 12 DG O6 2.810 2.610 3.010 2.827 2.813 2.855 . 0 0 "[ .]" 2 4 1 1 DC O2 2 12 DG N2 2.810 2.610 3.010 2.839 2.833 2.853 . 0 0 "[ .]" 2 5 1 1 DC N3 2 12 DG N2 3.580 3.380 3.780 3.561 3.546 3.568 . 0 0 "[ .]" 2 6 1 1 DC N3 2 12 DG O6 3.630 3.430 3.830 3.617 3.614 3.618 . 0 0 "[ .]" 2 7 1 2 DG N1 2 11 DC N3 2.870 2.670 3.070 2.849 2.840 2.853 . 0 0 "[ .]" 2 8 1 2 DG H1 2 11 DC N3 1.860 . 2.060 1.839 1.830 1.844 . 0 0 "[ .]" 2 9 1 2 DG O6 2 11 DC N4 2.810 2.610 3.010 2.859 2.853 2.871 . 0 0 "[ .]" 2 10 1 2 DG N2 2 11 DC O2 2.810 2.610 3.010 2.855 2.845 2.864 . 0 0 "[ .]" 2 11 1 2 DG N2 2 11 DC N3 3.580 3.380 3.780 3.569 3.559 3.572 . 0 0 "[ .]" 2 12 1 2 DG O6 2 11 DC N3 3.630 3.430 3.830 3.603 3.597 3.608 . 0 0 "[ .]" 2 13 1 3 DC N3 2 10 DG N1 2.870 2.670 3.070 2.832 2.824 2.839 . 0 0 "[ .]" 2 14 1 3 DC N3 2 10 DG H1 1.860 . 2.060 1.828 1.820 1.834 . 0 0 "[ .]" 2 15 1 3 DC N4 2 10 DG O6 2.810 2.610 3.010 2.881 2.878 2.885 . 0 0 "[ .]" 2 16 1 3 DC O2 2 10 DG N2 2.810 2.610 3.010 2.837 2.832 2.842 . 0 0 "[ .]" 2 17 1 3 DC N3 2 10 DG N2 3.580 3.380 3.780 3.566 3.561 3.573 . 0 0 "[ .]" 2 18 1 3 DC N3 2 10 DG O6 3.630 3.430 3.830 3.580 3.572 3.585 . 0 0 "[ .]" 2 19 1 4 DG N1 2 9 DC N3 2.870 2.670 3.070 2.801 2.796 2.808 . 0 0 "[ .]" 2 20 1 4 DG H1 2 9 DC N3 1.860 . 2.060 1.791 1.786 1.797 . 0 0 "[ .]" 2 21 1 4 DG O6 2 9 DC N4 2.810 2.610 3.010 2.930 2.926 2.938 . 0 0 "[ .]" 2 22 1 4 DG N2 2 9 DC O2 2.810 2.610 3.010 2.858 2.838 2.871 . 0 0 "[ .]" 2 23 1 4 DG N2 2 9 DC N3 3.580 3.380 3.780 3.519 3.512 3.527 . 0 0 "[ .]" 2 24 1 4 DG O6 2 9 DC N3 3.630 3.430 3.830 3.579 3.576 3.581 . 0 0 "[ .]" 2 25 1 9 DC N3 2 4 DG N1 2.870 2.670 3.070 2.801 2.795 2.807 . 0 0 "[ .]" 2 26 1 9 DC N3 2 4 DG H1 1.860 . 2.060 1.791 1.785 1.797 . 0 0 "[ .]" 2 27 1 9 DC N4 2 4 DG O6 2.810 2.610 3.010 2.929 2.924 2.934 . 0 0 "[ .]" 2 28 1 9 DC O2 2 4 DG N2 2.810 2.610 3.010 2.858 2.839 2.872 . 0 0 "[ .]" 2 29 1 9 DC N3 2 4 DG N2 3.580 3.380 3.780 3.518 3.512 3.526 . 0 0 "[ .]" 2 30 1 9 DC N3 2 4 DG O6 3.630 3.430 3.830 3.579 3.575 3.581 . 0 0 "[ .]" 2 31 1 10 DG N1 2 3 DC N3 2.870 2.670 3.070 2.831 2.821 2.839 . 0 0 "[ .]" 2 32 1 10 DG H1 2 3 DC N3 1.860 . 2.060 1.827 1.818 1.835 . 0 0 "[ .]" 2 33 1 10 DG O6 2 3 DC N4 2.810 2.610 3.010 2.881 2.878 2.885 . 0 0 "[ .]" 2 34 1 10 DG N2 2 3 DC O2 2.810 2.610 3.010 2.837 2.833 2.842 . 0 0 "[ .]" 2 35 1 10 DG N2 2 3 DC N3 3.580 3.380 3.780 3.565 3.559 3.574 . 0 0 "[ .]" 2 36 1 10 DG O6 2 3 DC N3 3.630 3.430 3.830 3.579 3.571 3.583 . 0 0 "[ .]" 2 37 1 11 DC N3 2 2 DG N1 2.870 2.670 3.070 2.848 2.841 2.852 . 0 0 "[ .]" 2 38 1 11 DC N3 2 2 DG H1 1.860 . 2.060 1.837 1.829 1.842 . 0 0 "[ .]" 2 39 1 11 DC N4 2 2 DG O6 2.810 2.610 3.010 2.858 2.852 2.870 . 0 0 "[ .]" 2 40 1 11 DC O2 2 2 DG N2 2.810 2.610 3.010 2.855 2.843 2.865 . 0 0 "[ .]" 2 41 1 11 DC N3 2 2 DG N2 3.580 3.380 3.780 3.568 3.561 3.570 . 0 0 "[ .]" 2 42 1 11 DC N3 2 2 DG O6 3.630 3.430 3.830 3.603 3.596 3.608 . 0 0 "[ .]" 2 43 1 12 DG N1 2 1 DC N3 2.870 2.670 3.070 2.853 2.844 2.857 . 0 0 "[ .]" 2 44 1 12 DG H1 2 1 DC N3 1.860 . 2.060 1.843 1.834 1.847 . 0 0 "[ .]" 2 45 1 12 DG O6 2 1 DC N4 2.810 2.610 3.010 2.828 2.813 2.855 . 0 0 "[ .]" 2 46 1 12 DG N2 2 1 DC O2 2.810 2.610 3.010 2.839 2.834 2.853 . 0 0 "[ .]" 2 47 1 12 DG N2 2 1 DC N3 3.580 3.380 3.780 3.561 3.547 3.568 . 0 0 "[ .]" 2 48 1 12 DG O6 2 1 DC N3 3.630 3.430 3.830 3.617 3.614 3.619 . 0 0 "[ .]" 2 49 1 5 DA N1 2 8 DT N3 2.920 2.720 3.120 2.881 2.876 2.884 . 0 0 "[ .]" 2 50 1 5 DA N1 2 8 DT H3 1.810 . 2.010 1.871 1.868 1.875 . 0 0 "[ .]" 2 51 1 5 DA N6 2 8 DT O4 2.890 2.690 3.090 2.874 2.868 2.878 . 0 0 "[ .]" 2 52 1 5 DA H2 2 8 DT O2 2.940 2.740 3.140 3.021 3.012 3.030 . 0 0 "[ .]" 2 53 1 5 DA N1 2 8 DT O4 3.690 3.490 3.890 3.663 3.661 3.666 . 0 0 "[ .]" 2 54 1 5 DA N1 2 8 DT O2 3.670 3.470 3.870 3.660 3.656 3.665 . 0 0 "[ .]" 2 55 1 6 DA N1 2 7 DT N3 2.920 2.720 3.120 2.833 2.822 2.838 . 0 0 "[ .]" 2 56 1 6 DA N1 2 7 DT H3 1.810 . 2.010 1.832 1.822 1.837 . 0 0 "[ .]" 2 57 1 6 DA N6 2 7 DT O4 2.890 2.690 3.090 2.972 2.968 2.982 . 0 0 "[ .]" 2 58 1 6 DA H2 2 7 DT O2 2.940 2.740 3.140 2.999 2.991 3.023 . 0 0 "[ .]" 2 59 1 6 DA N1 2 7 DT O4 3.690 3.490 3.890 3.632 3.628 3.634 . 0 0 "[ .]" 2 60 1 6 DA N1 2 7 DT O2 3.670 3.470 3.870 3.617 3.605 3.624 . 0 0 "[ .]" 2 61 1 7 DT N3 2 6 DA N1 2.920 2.720 3.120 2.834 2.824 2.837 . 0 0 "[ .]" 2 62 1 7 DT H3 2 6 DA N1 1.810 . 2.010 1.833 1.824 1.835 . 0 0 "[ .]" 2 63 1 7 DT O4 2 6 DA N6 2.890 2.690 3.090 2.972 2.968 2.980 . 0 0 "[ .]" 2 64 1 7 DT O2 2 6 DA H2 2.940 2.740 3.140 2.999 2.991 3.024 . 0 0 "[ .]" 2 65 1 7 DT O4 2 6 DA N1 3.690 3.490 3.890 3.632 3.629 3.634 . 0 0 "[ .]" 2 66 1 7 DT O2 2 6 DA N1 3.670 3.470 3.870 3.617 3.606 3.623 . 0 0 "[ .]" 2 67 1 8 DT N3 2 5 DA N1 2.920 2.720 3.120 2.881 2.878 2.883 . 0 0 "[ .]" 2 68 1 8 DT H3 2 5 DA N1 1.810 . 2.010 1.872 1.867 1.874 . 0 0 "[ .]" 2 69 1 8 DT O4 2 5 DA N6 2.890 2.690 3.090 2.873 2.868 2.877 . 0 0 "[ .]" 2 70 1 8 DT O2 2 5 DA H2 2.940 2.740 3.140 3.021 3.014 3.028 . 0 0 "[ .]" 2 71 1 8 DT O4 2 5 DA N1 3.690 3.490 3.890 3.664 3.662 3.666 . 0 0 "[ .]" 2 72 1 8 DT O2 2 5 DA N1 3.670 3.470 3.870 3.660 3.656 3.663 . 0 0 "[ .]" 2 stop_ save_
Contact the webmaster for help, if required. Tuesday, May 28, 2024 11:19:16 PM GMT (wattos1)