NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
476235 |
1kr8   |
5282 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1kr8
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 10
_Distance_constraint_stats_list.Viol_count 104
_Distance_constraint_stats_list.Viol_total 21.494
_Distance_constraint_stats_list.Viol_max 0.032
_Distance_constraint_stats_list.Viol_rms 0.0089
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0110
_Distance_constraint_stats_list.Viol_average_violations_only 0.0148
_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 DG 0.679 0.032 13 0 "[ . 1 ]"
1 2 DC 0.857 0.031 7 0 "[ . 1 ]"
1 6 DG 0.857 0.031 7 0 "[ . 1 ]"
1 7 DC 0.679 0.032 13 0 "[ . 1 ]"
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 DG H1 1 7 DC N3 2.040 . 2.540 1.849 1.842 1.858 . 0 0 "[ . 1 ]" 1
2 1 1 DG H21 1 7 DC O2 1.950 . 2.450 1.733 1.720 1.747 0.030 5 0 "[ . 1 ]" 1
3 1 1 DG N1 1 7 DC N3 3.050 2.850 3.550 2.853 2.847 2.862 0.003 11 0 "[ . 1 ]" 1
4 1 1 DG O6 1 7 DC H41 2.000 . 2.500 1.779 1.768 1.787 0.032 13 0 "[ . 1 ]" 1
5 1 1 DG O6 1 7 DC N4 3.010 2.810 3.510 2.799 2.788 2.809 0.022 13 0 "[ . 1 ]" 1
6 1 2 DC H41 1 6 DG O6 2.000 . 2.500 1.786 1.773 1.797 0.027 7 0 "[ . 1 ]" 1
7 1 2 DC N3 1 6 DG H1 2.040 . 2.540 1.859 1.831 1.917 0.009 13 0 "[ . 1 ]" 1
8 1 2 DC N3 1 6 DG N1 3.050 2.850 3.550 2.839 2.831 2.845 0.019 1 0 "[ . 1 ]" 1
9 1 2 DC N4 1 6 DG O6 3.010 2.810 3.510 2.788 2.779 2.794 0.031 7 0 "[ . 1 ]" 1
10 1 2 DC O2 1 6 DG H21 1.950 . 2.450 1.738 1.728 1.759 0.022 4 0 "[ . 1 ]" 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 89
_Distance_constraint_stats_list.Viol_count 31
_Distance_constraint_stats_list.Viol_total 21.552
_Distance_constraint_stats_list.Viol_max 0.105
_Distance_constraint_stats_list.Viol_rms 0.0098
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0497
_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 DG 1.261 0.105 6 0 "[ . 1 ]"
1 2 DC 0.000 0.000 . 0 "[ . 1 ]"
1 3 DG 0.241 0.040 10 0 "[ . 1 ]"
1 4 DA 0.257 0.040 10 0 "[ . 1 ]"
1 5 DA 0.016 0.014 10 0 "[ . 1 ]"
1 6 DG 0.000 0.000 . 0 "[ . 1 ]"
1 7 DC 0.021 0.012 13 0 "[ . 1 ]"
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 DG H1' 1 1 DG H2' 3.161 . 3.661 3.020 3.014 3.025 . 0 0 "[ . 1 ]" 2
2 1 1 DG H1' 1 1 DG H2'' 2.769 . 3.269 2.323 2.316 2.327 . 0 0 "[ . 1 ]" 2
3 1 1 DG H1' 1 1 DG H3' 4.598 2.627 5.098 3.894 3.885 3.906 . 0 0 "[ . 1 ]" 2
4 1 1 DG H1' 1 1 DG H4' 4.800 2.743 5.300 3.627 3.606 3.657 . 0 0 "[ . 1 ]" 2
5 1 1 DG H1' 1 2 DC H5 6.499 3.713 6.999 5.114 5.032 5.253 . 0 0 "[ . 1 ]" 2
6 1 1 DG H2' 1 1 DG H3' 3.045 . 3.545 2.362 2.353 2.370 . 0 0 "[ . 1 ]" 2
7 1 1 DG H2'' 1 1 DG H3' 3.454 . 3.954 2.730 2.726 2.733 . 0 0 "[ . 1 ]" 2
8 1 1 DG H1' 1 1 DG H8 4.708 2.690 5.208 3.941 3.923 3.958 . 0 0 "[ . 1 ]" 2
9 1 1 DG H2' 1 1 DG H8 3.100 . 3.600 2.298 2.228 2.354 . 0 0 "[ . 1 ]" 2
10 1 1 DG H2'' 1 1 DG H8 4.309 2.462 4.809 3.726 3.655 3.781 . 0 0 "[ . 1 ]" 2
11 1 1 DG H3' 1 1 DG H8 5.700 3.257 6.200 4.374 4.320 4.423 . 0 0 "[ . 1 ]" 2
12 1 1 DG H4' 1 1 DG H8 8.954 5.117 9.454 5.027 5.012 5.051 0.105 6 0 "[ . 1 ]" 2
13 1 1 DG H8 1 2 DC H5 5.233 2.990 5.733 3.445 3.411 3.477 . 0 0 "[ . 1 ]" 2
14 1 1 DG H8 1 2 DC H6 6.078 3.473 6.578 4.426 4.265 4.622 . 0 0 "[ . 1 ]" 2
15 1 2 DC H1' 1 2 DC H2' 3.328 . 3.828 3.075 3.058 3.090 . 0 0 "[ . 1 ]" 2
16 1 2 DC H1' 1 2 DC H3' 5.234 2.991 5.734 3.761 3.737 3.776 . 0 0 "[ . 1 ]" 2
17 1 2 DC H1' 1 2 DC H4' 4.180 2.389 4.680 2.447 2.404 2.489 . 0 0 "[ . 1 ]" 2
18 1 2 DC H1' 1 3 DG H4' 5.236 2.992 5.736 4.120 3.982 4.209 . 0 0 "[ . 1 ]" 2
19 1 2 DC H2' 1 2 DC H2'' 2.450 . 2.950 1.572 1.547 1.611 . 0 0 "[ . 1 ]" 2
20 1 2 DC H2' 1 2 DC H3' 3.644 2.082 4.144 2.350 2.342 2.362 . 0 0 "[ . 1 ]" 2
21 1 2 DC H2'' 1 2 DC H3' 3.504 2.002 4.004 2.698 2.669 2.721 . 0 0 "[ . 1 ]" 2
22 1 1 DG H2' 1 2 DC H5 4.290 2.452 4.790 3.845 3.725 3.992 . 0 0 "[ . 1 ]" 2
23 1 1 DG H2'' 1 2 DC H5 4.692 2.681 5.192 4.132 4.033 4.201 . 0 0 "[ . 1 ]" 2
24 1 1 DG H1' 1 2 DC H6 4.513 2.579 5.013 4.072 3.837 4.309 . 0 0 "[ . 1 ]" 2
25 1 1 DG H2' 1 2 DC H6 3.805 2.175 4.305 3.511 3.346 3.664 . 0 0 "[ . 1 ]" 2
26 1 1 DG H2'' 1 2 DC H6 3.097 . 3.597 2.699 2.574 2.850 . 0 0 "[ . 1 ]" 2
27 1 2 DC H1' 1 2 DC H6 4.576 2.615 5.076 3.757 3.734 3.772 . 0 0 "[ . 1 ]" 2
28 1 2 DC H2' 1 2 DC H6 3.175 . 3.675 2.045 2.022 2.069 . 0 0 "[ . 1 ]" 2
29 1 2 DC H2'' 1 2 DC H6 3.664 2.094 4.164 3.188 3.143 3.220 . 0 0 "[ . 1 ]" 2
30 1 2 DC H3' 1 2 DC H6 4.930 2.817 5.430 4.227 4.204 4.252 . 0 0 "[ . 1 ]" 2
31 1 2 DC H4' 1 2 DC H6 6.204 3.545 6.704 4.885 4.861 4.922 . 0 0 "[ . 1 ]" 2
32 1 2 DC H5 1 2 DC H6 2.436 . 2.936 2.434 2.427 2.443 . 0 0 "[ . 1 ]" 2
33 1 3 DG H1' 1 3 DG H2' 3.605 2.060 4.105 3.061 3.043 3.078 . 0 0 "[ . 1 ]" 2
34 1 3 DG H1' 1 3 DG H2'' 3.107 . 3.607 2.427 2.398 2.468 . 0 0 "[ . 1 ]" 2
35 1 3 DG H1' 1 3 DG H4' 4.907 2.804 5.407 3.243 3.125 3.531 . 0 0 "[ . 1 ]" 2
36 1 3 DG H3' 1 3 DG H4' 3.909 2.234 4.409 2.772 2.738 2.787 . 0 0 "[ . 1 ]" 2
37 1 3 DG H2' 1 3 DG H4' 4.617 2.638 5.117 3.790 3.775 3.805 . 0 0 "[ . 1 ]" 2
38 1 3 DG H2'' 1 3 DG H4' 5.206 2.975 5.706 4.051 4.037 4.070 . 0 0 "[ . 1 ]" 2
39 1 2 DC H1' 1 3 DG H8 6.725 3.843 7.225 5.050 4.928 5.284 . 0 0 "[ . 1 ]" 2
40 1 2 DC H2' 1 3 DG H8 4.344 2.482 4.844 3.825 3.453 4.295 . 0 0 "[ . 1 ]" 2
41 1 2 DC H2'' 1 3 DG H8 3.756 2.146 4.256 2.739 2.504 3.023 . 0 0 "[ . 1 ]" 2
42 1 2 DC H3' 1 3 DG H8 5.936 3.392 6.436 5.066 4.815 5.333 . 0 0 "[ . 1 ]" 2
43 1 2 DC H6 1 3 DG H8 5.746 3.284 6.246 4.749 4.391 5.259 . 0 0 "[ . 1 ]" 2
44 1 3 DG H1' 1 3 DG H8 4.929 2.817 5.429 3.846 3.772 3.907 . 0 0 "[ . 1 ]" 2
45 1 3 DG H2' 1 3 DG H8 3.308 . 3.808 2.236 2.174 2.325 . 0 0 "[ . 1 ]" 2
46 1 3 DG H2'' 1 3 DG H8 4.012 2.293 4.512 3.392 3.220 3.523 . 0 0 "[ . 1 ]" 2
47 1 3 DG H3' 1 3 DG H8 5.268 3.010 5.768 4.541 4.495 4.601 . 0 0 "[ . 1 ]" 2
48 1 3 DG H4' 1 3 DG H8 7.833 4.476 8.333 5.276 5.203 5.372 . 0 0 "[ . 1 ]" 2
49 1 4 DA H1' 1 4 DA H3' 6.114 3.494 6.614 3.759 3.727 3.787 . 0 0 "[ . 1 ]" 2
50 1 4 DA H1' 1 4 DA H4' 3.503 2.002 4.003 3.032 3.015 3.053 . 0 0 "[ . 1 ]" 2
51 1 4 DA H3' 1 4 DA H4' 3.641 2.081 4.141 2.735 2.694 2.782 . 0 0 "[ . 1 ]" 2
52 1 3 DG H1' 1 4 DA H8 3.875 2.214 4.375 2.989 2.852 3.202 . 0 0 "[ . 1 ]" 2
53 1 3 DG H2' 1 4 DA H8 4.781 2.732 5.281 3.580 3.473 3.690 . 0 0 "[ . 1 ]" 2
54 1 3 DG H2'' 1 4 DA H8 3.992 2.281 4.492 2.269 2.241 2.347 0.040 10 0 "[ . 1 ]" 2
55 1 3 DG H3' 1 4 DA H8 6.039 3.451 6.539 4.962 4.933 5.037 . 0 0 "[ . 1 ]" 2
56 1 3 DG H4' 1 4 DA H8 9.393 5.367 9.893 5.813 5.658 5.996 . 0 0 "[ . 1 ]" 2
57 1 4 DA H1' 1 4 DA H8 4.458 2.547 4.958 3.900 3.874 3.920 . 0 0 "[ . 1 ]" 2
58 1 4 DA H2' 1 4 DA H8 3.094 . 3.594 2.452 2.388 2.496 . 0 0 "[ . 1 ]" 2
59 1 4 DA H2'' 1 4 DA H8 3.784 2.162 4.284 3.794 3.659 3.844 . 0 0 "[ . 1 ]" 2
60 1 4 DA H3' 1 4 DA H8 5.554 3.174 6.054 4.595 4.537 4.682 . 0 0 "[ . 1 ]" 2
61 1 4 DA H4' 1 4 DA H8 7.173 4.099 7.673 4.933 4.794 5.118 . 0 0 "[ . 1 ]" 2
62 1 5 DA H1' 1 5 DA H3' 5.665 3.237 6.165 3.713 3.693 3.726 . 0 0 "[ . 1 ]" 2
63 1 5 DA H1' 1 5 DA H4' 3.640 2.080 4.140 2.926 2.783 3.036 . 0 0 "[ . 1 ]" 2
64 1 5 DA H1' 1 6 DG H1' 5.067 2.895 5.567 4.172 4.007 4.418 . 0 0 "[ . 1 ]" 2
65 1 5 DA H3' 1 5 DA H4' 3.514 2.008 4.014 2.881 2.854 2.915 . 0 0 "[ . 1 ]" 2
66 1 4 DA H1' 1 5 DA H8 5.904 3.374 6.404 4.350 4.263 4.532 . 0 0 "[ . 1 ]" 2
67 1 4 DA H4' 1 5 DA H8 6.092 3.481 6.592 3.591 3.467 3.826 0.014 10 0 "[ . 1 ]" 2
68 1 6 DG H1' 1 6 DG H3' 5.485 3.134 5.985 3.945 3.921 3.968 . 0 0 "[ . 1 ]" 2
69 1 6 DG H1' 1 6 DG H4' 4.405 2.517 4.905 2.730 2.610 2.807 . 0 0 "[ . 1 ]" 2
70 1 6 DG H3' 1 6 DG H4' 4.080 2.331 4.580 2.992 2.965 3.012 . 0 0 "[ . 1 ]" 2
71 1 6 DG H1' 1 6 DG H8 4.966 2.838 5.466 3.967 3.937 3.982 . 0 0 "[ . 1 ]" 2
72 1 6 DG H3' 1 6 DG H8 5.191 2.966 5.691 4.078 3.804 4.389 . 0 0 "[ . 1 ]" 2
73 1 6 DG H4' 1 6 DG H8 7.447 4.255 7.947 5.273 5.227 5.351 . 0 0 "[ . 1 ]" 2
74 1 6 DG H8 1 7 DC H5 5.519 3.154 6.019 4.064 3.897 4.267 . 0 0 "[ . 1 ]" 2
75 1 6 DG H8 1 7 DC H6 6.227 3.558 6.727 5.321 5.189 5.569 . 0 0 "[ . 1 ]" 2
76 1 6 DG H1' 1 7 DC H1' 4.858 2.776 5.358 4.778 4.472 4.887 . 0 0 "[ . 1 ]" 2
77 1 7 DC H1' 1 7 DC H2' 3.150 . 3.650 2.955 2.916 3.081 . 0 0 "[ . 1 ]" 2
78 1 7 DC H1' 1 7 DC H2'' 2.807 . 3.307 2.358 2.243 2.432 . 0 0 "[ . 1 ]" 2
79 1 7 DC H1' 1 7 DC H3' 3.878 2.216 4.378 3.914 3.888 3.940 . 0 0 "[ . 1 ]" 2
80 1 7 DC H1' 1 7 DC H4' 4.552 2.601 5.052 2.924 2.815 3.059 . 0 0 "[ . 1 ]" 2
81 1 7 DC H2' 1 7 DC H3' 2.666 . 3.166 2.162 2.081 2.262 . 0 0 "[ . 1 ]" 2
82 1 7 DC H2'' 1 7 DC H3' 2.858 . 3.358 2.851 2.722 2.900 . 0 0 "[ . 1 ]" 2
83 1 6 DG H1' 1 7 DC H6 3.948 2.256 4.448 3.941 3.796 3.984 . 0 0 "[ . 1 ]" 2
84 1 7 DC H1' 1 7 DC H6 4.443 2.539 4.943 3.759 3.738 3.785 . 0 0 "[ . 1 ]" 2
85 1 7 DC H2' 1 7 DC H6 3.711 2.120 4.211 2.357 2.108 3.022 0.012 13 0 "[ . 1 ]" 2
86 1 7 DC H2'' 1 7 DC H6 4.836 2.763 5.336 3.929 3.797 4.216 . 0 0 "[ . 1 ]" 2
87 1 7 DC H3' 1 7 DC H6 4.514 2.579 5.014 3.041 2.835 3.443 . 0 0 "[ . 1 ]" 2
88 1 7 DC H4' 1 7 DC H6 6.700 3.829 7.200 4.456 4.396 4.554 . 0 0 "[ . 1 ]" 2
89 1 7 DC H5 1 7 DC H6 2.455 . 2.955 2.391 2.366 2.445 . 0 0 "[ . 1 ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 8
_Distance_constraint_stats_list.Viol_count 16
_Distance_constraint_stats_list.Viol_total 89.881
_Distance_constraint_stats_list.Viol_max 0.465
_Distance_constraint_stats_list.Viol_rms 0.1524
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0573
_Distance_constraint_stats_list.Viol_average_violations_only 0.4013
_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 3 DG 0.011 0.008 7 0 "[ . 1 ]"
1 4 DA 6.409 0.465 8 0 "[ . 1 ]"
1 5 DA 6.420 0.465 8 0 "[ . 1 ]"
1 6 DG 0.000 0.000 . 0 "[ . 1 ]"
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 H2 1 6 DG H1' 7.390 4.220 7.890 4.381 4.246 4.587 . 0 0 "[ . 1 ]" 3
2 1 4 DA H1' 1 4 DA H2 6.210 3.550 6.710 4.481 4.420 4.526 . 0 0 "[ . 1 ]" 3
3 1 5 DA H1' 1 5 DA H2 7.340 4.190 7.840 4.600 4.574 4.628 . 0 0 "[ . 1 ]" 3
4 1 4 DA H4' 1 5 DA H2 6.640 3.790 7.140 5.179 4.901 5.383 . 0 0 "[ . 1 ]" 3
5 1 3 DG H4' 1 5 DA H2 7.440 4.250 7.940 4.433 4.242 4.806 0.008 7 0 "[ . 1 ]" 3
6 1 4 DA Q5' 1 5 DA H2 6.820 3.960 7.320 3.502 3.495 3.508 0.465 8 0 "[ . 1 ]" 3
7 1 5 DA Q5' 1 5 DA H8 5.290 3.310 5.790 3.912 3.810 4.015 . 0 0 "[ . 1 ]" 3
8 1 3 DG H1' 1 4 DA Q5' 4.870 2.480 5.370 2.645 2.570 2.736 . 0 0 "[ . 1 ]" 3
stop_
save_
Contact the webmaster for help, if required. Tuesday, May 21, 2024 8:05:08 AM GMT (wattos1)