NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
482383 |
1ntq   |
5775 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ntq
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 139
_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
;
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 A 0.000 0.000 . 0 "[ ]"
1 2 A 0.000 0.000 . 0 "[ ]"
1 3 A 0.000 0.000 . 0 "[ ]"
1 4 G 0.000 0.000 . 0 "[ ]"
1 5 G 0.000 0.000 . 0 "[ ]"
1 6 A 0.000 0.000 . 0 "[ ]"
1 7 G 0.000 0.000 . 0 "[ ]"
1 8 G 0.000 0.000 . 0 "[ ]"
1 9 A 0.000 0.000 . 0 "[ ]"
2 1 DC 0.000 0.000 . 0 "[ ]"
2 2 DC 0.000 0.000 . 0 "[ ]"
2 3 DU 0.000 0.000 . 0 "[ ]"
2 4 DC 0.000 0.000 . 0 "[ ]"
2 5 DC 0.000 0.000 . 0 "[ ]"
2 6 DU 0.000 0.000 . 0 "[ ]"
2 7 DU 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 2 1 DC H5 2 1 DC H6 . . 3.512 2.431 2.431 2.431 . 0 0 "[ ]" 1
2 2 1 DC H1' 2 1 DC H6 . 2.175 5.076 3.869 3.869 3.869 . 0 0 "[ ]" 1
3 2 1 DC H3' 2 1 DC H6 . 2.352 5.487 2.622 2.622 2.622 . 0 0 "[ ]" 1
4 2 1 DC H2' 2 1 DC H3' . . 4.582 2.443 2.443 2.443 . 0 0 "[ ]" 1
5 2 1 DC H1' 2 1 DC H4' . . 4.526 3.158 3.158 3.158 . 0 0 "[ ]" 1
6 1 1 A H2 1 2 A H1' . 2.264 5.282 4.248 4.248 4.248 . 0 0 "[ ]" 1
7 2 1 DC H2' 2 2 DC H6 . . 3.386 2.386 2.386 2.386 . 0 0 "[ ]" 1
8 2 1 DC H3' 2 2 DC H6 . 2.438 5.689 3.466 3.466 3.466 . 0 0 "[ ]" 1
9 2 2 DC H5 2 2 DC H6 . . 3.543 2.425 2.425 2.425 . 0 0 "[ ]" 1
10 2 2 DC H1' 2 2 DC H6 . . 4.540 3.859 3.859 3.859 . 0 0 "[ ]" 1
11 2 2 DC H4' 2 2 DC H6 . 2.075 4.843 4.317 4.317 4.317 . 0 0 "[ ]" 1
12 1 1 A H1' 1 1 A H8 . 2.092 4.882 3.576 3.576 3.576 . 0 0 "[ ]" 1
13 2 2 DC H1' 2 2 DC H2' . . 4.635 2.757 2.757 2.757 . 0 0 "[ ]" 1
14 1 1 A H1' 1 1 A H2' . 2.231 5.205 2.885 2.885 2.885 . 0 0 "[ ]" 1
15 2 2 DC H1' 2 2 DC H4' . . 4.452 3.268 3.268 3.268 . 0 0 "[ ]" 1
16 1 1 A H1' 1 1 A H4' . 2.252 5.254 3.103 3.103 3.103 . 0 0 "[ ]" 1
17 2 2 DC H3' 2 2 DC H6 . 2.101 4.902 2.698 2.698 2.698 . 0 0 "[ ]" 1
18 2 2 DC H2' 2 2 DC H3' . 2.082 4.859 2.469 2.469 2.469 . 0 0 "[ ]" 1
19 2 2 DC H3' 2 3 DU H5 . 2.318 5.408 4.108 4.108 4.108 . 0 0 "[ ]" 1
20 2 2 DC H2' 2 3 DU H5 . . 4.397 3.647 3.647 3.647 . 0 0 "[ ]" 1
21 2 2 DC H1' 2 3 DU H6 . 2.037 4.754 4.734 4.734 4.734 . 0 0 "[ ]" 1
22 2 2 DC H2'' 2 3 DU H6 . . 4.623 3.738 3.738 3.738 . 0 0 "[ ]" 1
23 2 2 DC H3' 2 3 DU H6 . 2.592 6.000 3.487 3.487 3.487 . 0 0 "[ ]" 1
24 2 3 DU H5 2 3 DU H6 . . 3.464 2.465 2.465 2.465 . 0 0 "[ ]" 1
25 2 2 DC H2' 2 3 DU H6 . . 3.455 2.123 2.123 2.123 . 0 0 "[ ]" 1
26 2 3 DU H3' 2 3 DU H6 . 2.021 4.716 4.284 4.284 4.284 . 0 0 "[ ]" 1
27 1 1 A H2' 1 2 A H8 . . 4.406 3.129 3.129 3.129 . 0 0 "[ ]" 1
28 1 2 A H1' 1 2 A H8 . 2.904 6.000 3.871 3.871 3.871 . 0 0 "[ ]" 1
29 2 3 DU H1' 2 3 DU H6 . 2.471 5.766 3.886 3.886 3.886 . 0 0 "[ ]" 1
30 2 3 DU H1' 2 3 DU H2' . . 4.640 3.076 3.076 3.076 . 0 0 "[ ]" 1
31 2 3 DU H1' 2 3 DU H2'' . . 4.063 2.422 2.422 2.422 . 0 0 "[ ]" 1
32 2 3 DU H1' 2 3 DU H3' . 2.712 6.000 3.861 3.861 3.861 . 0 0 "[ ]" 1
33 2 3 DU H1' 2 3 DU H4' . 2.008 4.686 3.143 3.143 3.143 . 0 0 "[ ]" 1
34 2 3 DU H1' 2 4 DC H6 . 2.629 6.000 3.720 3.720 3.720 . 0 0 "[ ]" 1
35 1 2 A H3' 1 2 A H8 . . 4.367 2.761 2.761 2.761 . 0 0 "[ ]" 1
36 2 3 DU H2' 2 3 DU H3' . . 4.070 2.335 2.335 2.335 . 0 0 "[ ]" 1
37 2 3 DU H2' 2 4 DC H5 . 2.181 5.089 3.345 3.345 3.345 . 0 0 "[ ]" 1
38 2 3 DU H2' 2 4 DC H6 . . 4.420 3.737 3.737 3.737 . 0 0 "[ ]" 1
39 2 3 DU H2'' 2 4 DC H6 . 2.001 4.668 2.258 2.258 2.258 . 0 0 "[ ]" 1
40 2 4 DC H5 2 4 DC H6 . . 3.410 2.440 2.440 2.440 . 0 0 "[ ]" 1
41 2 4 DC H2' 2 4 DC H6 . . 4.642 3.619 3.619 3.619 . 0 0 "[ ]" 1
42 2 4 DC H3' 2 4 DC H6 . . 4.442 2.628 2.628 2.628 . 0 0 "[ ]" 1
43 2 4 DC H6 2 5 DC H5 . 2.482 5.790 4.103 4.103 4.103 . 0 0 "[ ]" 1
44 1 2 A H1' 1 3 A H8 . 2.386 5.566 5.121 5.121 5.121 . 0 0 "[ ]" 1
45 1 3 A H1' 1 3 A H8 . 2.466 5.755 3.864 3.864 3.864 . 0 0 "[ ]" 1
46 1 3 A H2' 1 3 A H8 . . 4.083 3.724 3.724 3.724 . 0 0 "[ ]" 1
47 1 3 A H3' 1 3 A H8 . 2.111 4.926 2.837 2.837 2.837 . 0 0 "[ ]" 1
48 1 2 A H2 1 3 A H1' . 2.599 6.000 4.345 4.345 4.345 . 0 0 "[ ]" 1
49 2 4 DC H1' 2 4 DC H6 . 2.498 5.829 3.861 3.861 3.861 . 0 0 "[ ]" 1
50 2 4 DC H1' 2 4 DC H2' . 2.003 4.673 2.833 2.833 2.833 . 0 0 "[ ]" 1
51 1 3 A H1' 1 3 A H2' . . 4.215 2.835 2.835 2.835 . 0 0 "[ ]" 1
52 2 4 DC H1' 2 4 DC H2'' . . 3.977 2.270 2.270 2.270 . 0 0 "[ ]" 1
53 2 4 DC H1' 2 4 DC H3' . 2.861 6.000 3.889 3.889 3.889 . 0 0 "[ ]" 1
54 2 4 DC H1' 2 4 DC H4' . 2.124 4.955 3.148 3.148 3.148 . 0 0 "[ ]" 1
55 1 3 A H1' 1 3 A H4' . 2.249 5.248 3.287 3.287 3.287 . 0 0 "[ ]" 1
56 2 4 DC H2' 2 4 DC H3' . . 3.852 2.447 2.447 2.447 . 0 0 "[ ]" 1
57 2 4 DC H1' 2 5 DC H6 . 2.486 5.800 5.114 5.114 5.114 . 0 0 "[ ]" 1
58 2 4 DC H2'' 2 5 DC H6 . . 3.973 3.836 3.836 3.836 . 0 0 "[ ]" 1
59 2 4 DC H2' 2 5 DC H6 . . 4.124 2.360 2.360 2.360 . 0 0 "[ ]" 1
60 2 4 DC H3' 2 5 DC H6 . . 4.311 3.728 3.728 3.728 . 0 0 "[ ]" 1
61 2 5 DC H5 2 5 DC H6 . . 3.449 2.426 2.426 2.426 . 0 0 "[ ]" 1
62 2 5 DC H2' 2 5 DC H6 . . 4.245 2.396 2.396 2.396 . 0 0 "[ ]" 1
63 2 5 DC H6 2 6 DU H5 . 2.365 5.518 4.243 4.243 4.243 . 0 0 "[ ]" 1
64 1 3 A H1' 1 4 G H8 . 2.875 6.000 5.034 5.034 5.034 . 0 0 "[ ]" 1
65 1 3 A H2' 1 4 G H8 . . 4.016 2.313 2.313 2.313 . 0 0 "[ ]" 1
66 1 4 G H1' 1 4 G H8 . 3.058 6.000 3.846 3.846 3.846 . 0 0 "[ ]" 1
67 1 4 G H2' 1 4 G H8 . 2.645 6.000 3.845 3.845 3.845 . 0 0 "[ ]" 1
68 1 4 G H3' 1 4 G H8 . . 4.311 2.864 2.864 2.864 . 0 0 "[ ]" 1
69 1 3 A H2 1 4 G H1' . 2.292 5.349 4.360 4.360 4.360 . 0 0 "[ ]" 1
70 1 3 A H2' 1 4 G H1' . 2.389 5.575 4.204 4.204 4.204 . 0 0 "[ ]" 1
71 2 5 DC H1' 2 5 DC H6 . 2.678 6.000 3.918 3.918 3.918 . 0 0 "[ ]" 1
72 2 5 DC H1' 2 5 DC H2' . . 4.472 3.071 3.071 3.071 . 0 0 "[ ]" 1
73 2 5 DC H1' 2 5 DC H2'' . . 3.942 2.407 2.407 2.407 . 0 0 "[ ]" 1
74 1 4 G H1' 1 4 G H2' . . 4.540 2.818 2.818 2.818 . 0 0 "[ ]" 1
75 1 4 G H1' 1 4 G H3' . 2.081 4.855 3.872 3.872 3.872 . 0 0 "[ ]" 1
76 2 5 DC H1' 2 5 DC H3' . 3.507 6.000 3.870 3.870 3.870 . 0 0 "[ ]" 1
77 2 5 DC H1' 2 5 DC H4' . . 4.599 3.208 3.208 3.208 . 0 0 "[ ]" 1
78 2 5 DC H1' 2 6 DU H6 . 2.629 6.000 3.733 3.733 3.733 . 0 0 "[ ]" 1
79 1 4 G H1' 1 5 G H8 . 3.190 6.000 5.080 5.080 5.080 . 0 0 "[ ]" 1
80 2 5 DC H3' 2 5 DC H6 . 2.522 5.885 4.209 4.209 4.209 . 0 0 "[ ]" 1
81 2 5 DC H2' 2 5 DC H3' . . 3.840 2.339 2.339 2.339 . 0 0 "[ ]" 1
82 2 5 DC H2'' 2 6 DU H6 . . 3.662 2.269 2.269 2.269 . 0 0 "[ ]" 1
83 2 6 DU H5 2 6 DU H6 . . 3.512 2.476 2.476 2.476 . 0 0 "[ ]" 1
84 2 6 DU H1' 2 6 DU H6 . 2.569 5.994 3.861 3.861 3.861 . 0 0 "[ ]" 1
85 2 6 DU H2' 2 6 DU H6 . . 3.480 3.360 3.360 3.360 . 0 0 "[ ]" 1
86 2 6 DU H3' 2 6 DU H6 . . 4.617 2.597 2.597 2.597 . 0 0 "[ ]" 1
87 1 4 G H2' 1 5 G H8 . . 3.834 2.360 2.360 2.360 . 0 0 "[ ]" 1
88 1 5 G H1' 1 5 G H8 . 2.211 5.160 3.835 3.835 3.835 . 0 0 "[ ]" 1
89 2 6 DU H1' 2 6 DU H2'' . . 3.960 2.256 2.256 2.256 . 0 0 "[ ]" 1
90 2 6 DU H1' 2 6 DU H2' . . 4.296 2.867 2.867 2.867 . 0 0 "[ ]" 1
91 2 6 DU H1' 2 6 DU H3' . 2.667 6.000 3.903 3.903 3.903 . 0 0 "[ ]" 1
92 2 6 DU H1' 2 6 DU H4' . 2.041 4.762 3.074 3.074 3.074 . 0 0 "[ ]" 1
93 2 6 DU H1' 2 7 DU H6 . 2.775 6.000 5.278 5.278 5.278 . 0 0 "[ ]" 1
94 1 5 G H1' 1 5 G H2' . . 3.932 2.816 2.816 2.816 . 0 0 "[ ]" 1
95 1 5 G H3' 1 5 G H8 . . 3.997 2.958 2.958 2.958 . 0 0 "[ ]" 1
96 2 6 DU H2'' 2 6 DU H3' . . 4.171 3.061 3.061 3.061 . 0 0 "[ ]" 1
97 2 6 DU H2' 2 6 DU H3' . . 3.723 2.403 2.403 2.403 . 0 0 "[ ]" 1
98 1 6 A H2 2 4 DC H1' . 2.298 5.361 3.267 3.267 3.267 . 0 0 "[ ]" 1
99 1 6 A H1' 1 6 A H2 . 3.411 6.000 5.019 5.019 5.019 . 0 0 "[ ]" 1
100 1 6 A H2 1 7 G H1' . . 4.524 4.215 4.215 4.215 . 0 0 "[ ]" 1
101 2 6 DU H2'' 2 7 DU H6 . . 4.342 3.820 3.820 3.820 . 0 0 "[ ]" 1
102 2 6 DU H2' 2 7 DU H6 . . 4.590 2.632 2.632 2.632 . 0 0 "[ ]" 1
103 2 7 DU H5 2 7 DU H6 . . 3.568 2.463 2.463 2.463 . 0 0 "[ ]" 1
104 2 7 DU H2' 2 7 DU H6 . . 3.644 3.146 3.146 3.146 . 0 0 "[ ]" 1
105 1 5 G H1' 1 6 A H8 . 2.518 5.875 5.075 5.075 5.075 . 0 0 "[ ]" 1
106 1 5 G H3' 1 6 A H8 . 2.075 4.843 3.282 3.282 3.282 . 0 0 "[ ]" 1
107 1 6 A H1' 1 6 A H8 . 2.355 5.494 3.838 3.838 3.838 . 0 0 "[ ]" 1
108 1 5 G H2' 1 6 A H8 . . 3.828 2.360 2.360 2.360 . 0 0 "[ ]" 1
109 2 7 DU H1' 2 7 DU H6 . 2.452 5.722 3.901 3.901 3.901 . 0 0 "[ ]" 1
110 2 7 DU H1' 2 7 DU H2' . . 4.590 2.849 2.849 2.849 . 0 0 "[ ]" 1
111 2 7 DU H1' 2 7 DU H3' . 2.925 6.000 3.903 3.903 3.903 . 0 0 "[ ]" 1
112 2 7 DU H1' 2 7 DU H4' . 2.463 5.747 3.177 3.177 3.177 . 0 0 "[ ]" 1
113 1 6 A H1' 1 7 G H8 . 2.528 5.898 4.985 4.985 4.985 . 0 0 "[ ]" 1
114 1 6 A H2' 1 6 A H8 . 2.063 4.815 3.894 3.894 3.894 . 0 0 "[ ]" 1
115 1 6 A H1' 1 6 A H2' . . 3.728 2.811 2.811 2.811 . 0 0 "[ ]" 1
116 1 6 A H2' 1 7 G H8 . . 3.718 2.297 2.297 2.297 . 0 0 "[ ]" 1
117 1 6 A H3' 1 6 A H8 . . 4.552 2.857 2.857 2.857 . 0 0 "[ ]" 1
118 1 6 A H3' 1 7 G H8 . 2.138 4.989 3.492 3.492 3.492 . 0 0 "[ ]" 1
119 2 7 DU H2' 2 7 DU H4' . . 4.413 3.889 3.889 3.889 . 0 0 "[ ]" 1
120 1 7 G H1' 1 7 G H8 . 2.554 5.959 3.830 3.830 3.830 . 0 0 "[ ]" 1
121 1 7 G H1' 1 8 G H8 . 2.616 6.000 4.950 4.950 4.950 . 0 0 "[ ]" 1
122 1 7 G H2' 1 7 G H8 . 2.327 5.429 3.938 3.938 3.938 . 0 0 "[ ]" 1
123 1 7 G H1' 1 7 G H2' . . 3.708 2.813 2.813 2.813 . 0 0 "[ ]" 1
124 1 7 G H3' 1 7 G H8 . 2.033 4.743 2.945 2.945 2.945 . 0 0 "[ ]" 1
125 1 7 G H2' 1 8 G H8 . . 3.787 2.256 2.256 2.256 . 0 0 "[ ]" 1
126 1 8 G H1' 1 8 G H8 . 2.431 5.672 3.806 3.806 3.806 . 0 0 "[ ]" 1
127 1 8 G H1' 1 8 G H4' . . 4.426 3.337 3.337 3.337 . 0 0 "[ ]" 1
128 1 8 G H1' 1 8 G H2' . . 3.871 2.819 2.819 2.819 . 0 0 "[ ]" 1
129 1 8 G H3' 1 8 G H8 . . 4.522 3.115 3.115 3.115 . 0 0 "[ ]" 1
130 1 8 G H2' 1 9 A H8 . . 4.094 2.449 2.449 2.449 . 0 0 "[ ]" 1
131 1 9 A H1' 1 9 A H8 . 2.361 5.510 3.836 3.836 3.836 . 0 0 "[ ]" 1
132 1 9 A H3' 1 9 A H8 . 2.051 4.785 2.920 2.920 2.920 . 0 0 "[ ]" 1
133 1 8 G H2' 1 9 A H1' . 2.479 5.785 4.043 4.043 4.043 . 0 0 "[ ]" 1
134 1 9 A H1' 1 9 A H3' . 2.183 5.094 3.866 3.866 3.866 . 0 0 "[ ]" 1
135 1 9 A H1' 1 9 A H2' . . 3.775 2.842 2.842 2.842 . 0 0 "[ ]" 1
136 1 1 A H3' 1 1 A H8 . . 6.000 3.812 3.812 3.812 . 0 0 "[ ]" 1
137 1 6 A H1' 1 6 A H4' . . 6.000 3.344 3.344 3.344 . 0 0 "[ ]" 1
138 1 7 G H4' 1 7 G H8 . . 6.000 4.479 4.479 4.479 . 0 0 "[ ]" 1
139 1 9 A H1' 1 9 A H4' . . 6.000 3.323 3.323 3.323 . 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 18
_Distance_constraint_stats_list.Viol_count 6
_Distance_constraint_stats_list.Viol_total 0.040
_Distance_constraint_stats_list.Viol_max 0.016
_Distance_constraint_stats_list.Viol_rms 0.0043
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0022
_Distance_constraint_stats_list.Viol_average_violations_only 0.0066
_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 2 A 0.005 0.005 1 0 "[ ]"
1 3 A 0.016 0.016 1 0 "[ ]"
1 4 G 0.006 0.006 1 0 "[ ]"
1 5 G 0.007 0.007 1 0 "[ ]"
1 6 A 0.000 0.000 . 0 "[ ]"
1 7 G 0.006 0.006 1 0 "[ ]"
1 8 G 0.000 0.000 1 0 "[ ]"
2 1 DC 0.000 0.000 1 0 "[ ]"
2 2 DC 0.006 0.006 1 0 "[ ]"
2 3 DU 0.000 0.000 . 0 "[ ]"
2 4 DC 0.007 0.007 1 0 "[ ]"
2 5 DC 0.006 0.006 1 0 "[ ]"
2 6 DU 0.016 0.016 1 0 "[ ]"
2 7 DU 0.005 0.005 1 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 2 A N1 2 7 DU H3 . . 2.500 2.183 2.183 2.183 . 0 0 "[ ]" 2
2 1 2 A H61 2 7 DU O4 . . 2.500 2.505 2.505 2.505 0.005 1 0 "[ ]" 2
3 1 3 A N1 2 6 DU H3 . . 2.500 2.140 2.140 2.140 . 0 0 "[ ]" 2
4 1 3 A H61 2 6 DU O4 . . 2.500 2.516 2.516 2.516 0.016 1 0 "[ ]" 2
5 1 4 G H1 2 5 DC N3 . . 2.500 2.243 2.243 2.243 . 0 0 "[ ]" 2
6 1 4 G O6 2 5 DC H41 . . 2.500 2.026 2.026 2.026 . 0 0 "[ ]" 2
7 1 4 G H21 2 5 DC O2 . . 2.500 2.506 2.506 2.506 0.006 1 0 "[ ]" 2
8 1 5 G H1 2 4 DC N3 . . 2.500 2.249 2.249 2.249 . 0 0 "[ ]" 2
9 1 5 G O6 2 4 DC H41 . . 2.500 2.507 2.507 2.507 0.007 1 0 "[ ]" 2
10 1 5 G H21 2 4 DC O2 . . 2.500 2.293 2.293 2.293 . 0 0 "[ ]" 2
11 1 6 A N1 2 3 DU H3 . . 2.500 2.237 2.237 2.237 . 0 0 "[ ]" 2
12 1 6 A H61 2 3 DU O4 . . 2.500 2.016 2.016 2.016 . 0 0 "[ ]" 2
13 1 7 G H1 2 2 DC N3 . . 2.500 2.272 2.272 2.272 . 0 0 "[ ]" 2
14 1 7 G O6 2 2 DC H41 . . 2.500 2.506 2.506 2.506 0.006 1 0 "[ ]" 2
15 1 7 G H21 2 2 DC O2 . . 2.500 2.329 2.329 2.329 . 0 0 "[ ]" 2
16 1 8 G H1 2 1 DC N3 . . 2.500 2.169 2.169 2.169 . 0 0 "[ ]" 2
17 1 8 G O6 2 1 DC H41 . . 2.500 2.150 2.150 2.150 . 0 0 "[ ]" 2
18 1 8 G H21 2 1 DC O2 . . 2.500 2.500 2.500 2.500 0.000 1 0 "[ ]" 2
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