NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
472399 |
2kye   |
17088 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kye
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 271
_Distance_constraint_stats_list.Viol_count 511
_Distance_constraint_stats_list.Viol_total 892.213
_Distance_constraint_stats_list.Viol_max 1.063
_Distance_constraint_stats_list.Viol_rms 0.0614
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0082
_Distance_constraint_stats_list.Viol_average_violations_only 0.0873
_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 G 0.451 0.042 7 0 "[ . 1 . 2]"
1 2 A 2.271 0.094 17 0 "[ . 1 . 2]"
1 3 G 1.078 0.098 18 0 "[ . 1 . 2]"
1 4 A 2.718 0.135 18 0 "[ . 1 . 2]"
1 5 G 4.653 0.135 18 0 "[ . 1 . 2]"
1 6 PSU 25.242 1.063 17 20 [*****-**********+***]
1 7 PSU 7.913 1.025 19 8 "[ * .* *1* .- *+*]"
1 8 G 1.267 0.166 20 0 "[ . 1 . 2]"
1 9 G 5.505 0.445 6 0 "[ . 1 . 2]"
1 10 G 4.246 0.445 6 0 "[ . 1 . 2]"
1 11 C 3.724 0.181 9 0 "[ . 1 . 2]"
1 12 PSU 3.387 0.181 9 0 "[ . 1 . 2]"
1 13 C 1.298 0.085 8 0 "[ . 1 . 2]"
1 14 PSU 1.259 0.085 8 0 "[ . 1 . 2]"
1 15 C 0.233 0.042 9 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 1 1 G H1' 1 1 G H5' 5.500 . 5.500 4.694 4.523 4.888 . 0 0 "[ . 1 . 2]" 1
2 1 1 G H1' 1 1 G H8 4.500 . 4.500 3.832 3.767 3.877 . 0 0 "[ . 1 . 2]" 1
3 1 1 G H1' 1 1 G H2' 4.500 . 4.500 2.774 2.739 2.805 . 0 0 "[ . 1 . 2]" 1
4 1 1 G H2' 1 1 G H4' 4.500 . 4.500 3.874 3.841 3.921 . 0 0 "[ . 1 . 2]" 1
5 1 1 G H2' 1 1 G H5'' 5.500 . 5.500 4.913 4.678 5.168 . 0 0 "[ . 1 . 2]" 1
6 1 1 G H1' 1 1 G H4' 3.500 . 3.500 3.357 3.219 3.517 0.017 4 0 "[ . 1 . 2]" 1
7 1 1 G H4' 1 1 G H8 4.500 2.800 4.500 4.352 4.185 4.463 . 0 0 "[ . 1 . 2]" 1
8 1 1 G H5'' 1 1 G H8 4.500 . 4.500 4.194 3.904 4.474 . 0 0 "[ . 1 . 2]" 1
9 1 1 G H5' 1 1 G H8 4.500 . 4.500 3.740 2.866 4.303 . 0 0 "[ . 1 . 2]" 1
10 1 1 G H1' 1 2 A H1' 5.500 . 5.500 5.188 4.344 5.506 0.006 16 0 "[ . 1 . 2]" 1
11 1 1 G H2' 1 2 A H5' 4.500 . 4.500 4.467 4.292 4.542 0.042 7 0 "[ . 1 . 2]" 1
12 1 1 G H2' 1 2 A H5'' 5.500 . 5.500 5.132 4.850 5.289 . 0 0 "[ . 1 . 2]" 1
13 1 2 A H1' 1 2 A H2 5.500 . 5.500 4.716 4.655 4.763 . 0 0 "[ . 1 . 2]" 1
14 1 2 A H1' 1 2 A H2' 3.500 . 3.500 2.698 2.672 2.720 . 0 0 "[ . 1 . 2]" 1
15 1 2 A H1' 1 2 A H3' 5.500 . 5.500 3.824 3.799 3.850 . 0 0 "[ . 1 . 2]" 1
16 1 2 A H1' 1 2 A H4' 3.500 . 3.500 3.549 3.484 3.594 0.094 17 0 "[ . 1 . 2]" 1
17 1 2 A H4' 1 2 A H8 6.500 . 6.500 4.112 4.057 4.188 . 0 0 "[ . 1 . 2]" 1
18 1 2 A H1' 1 2 A H8 4.500 . 4.500 3.764 3.732 3.803 . 0 0 "[ . 1 . 2]" 1
19 1 2 A H3' 1 2 A H8 4.500 . 4.500 2.762 2.573 2.908 . 0 0 "[ . 1 . 2]" 1
20 1 2 A H5'' 1 2 A H8 4.500 2.800 4.500 3.565 3.441 3.697 . 0 0 "[ . 1 . 2]" 1
21 1 2 A H5' 1 2 A H8 4.500 . 4.500 3.543 3.391 3.812 . 0 0 "[ . 1 . 2]" 1
22 1 1 G H2' 1 2 A H1' 5.500 . 5.500 4.810 4.485 5.125 . 0 0 "[ . 1 . 2]" 1
23 1 2 A H2 1 15 C H1' 5.500 . 5.500 5.338 4.915 5.524 0.024 8 0 "[ . 1 . 2]" 1
24 1 2 A H2 1 3 G H8 4.500 3.500 5.500 5.483 5.343 5.543 0.043 1 0 "[ . 1 . 2]" 1
25 1 1 G H1' 1 2 A H8 4.500 . 4.500 4.430 4.181 4.537 0.037 11 0 "[ . 1 . 2]" 1
26 1 1 G H2' 1 2 A H8 4.500 . 4.500 2.184 2.167 2.249 . 0 0 "[ . 1 . 2]" 1
27 1 1 G H4' 1 2 A H8 5.500 . 5.500 5.147 4.999 5.383 . 0 0 "[ . 1 . 2]" 1
28 1 2 A H8 1 3 G H8 4.500 3.500 5.500 3.885 3.644 4.312 . 0 0 "[ . 1 . 2]" 1
29 1 3 G H1' 1 3 G H4' 4.500 . 4.500 3.299 3.205 3.446 . 0 0 "[ . 1 . 2]" 1
30 1 3 G H1' 1 3 G H2' 3.500 . 3.500 2.763 2.731 2.792 . 0 0 "[ . 1 . 2]" 1
31 1 3 G H1' 1 3 G H3' 4.500 . 4.500 3.854 3.841 3.867 . 0 0 "[ . 1 . 2]" 1
32 1 3 G H1' 1 3 G H8 5.500 . 5.500 3.654 3.631 3.705 . 0 0 "[ . 1 . 2]" 1
33 1 3 G H2' 1 3 G H8 4.500 . 4.500 4.099 3.957 4.154 . 0 0 "[ . 1 . 2]" 1
34 1 3 G H3' 1 3 G H8 3.500 . 3.500 3.391 3.233 3.495 . 0 0 "[ . 1 . 2]" 1
35 1 3 G H5'' 1 3 G H8 4.500 . 4.500 4.440 4.195 4.598 0.098 18 0 "[ . 1 . 2]" 1
36 1 2 A H2 1 3 G H1' 4.500 . 4.500 3.816 3.355 4.437 . 0 0 "[ . 1 . 2]" 1
37 1 3 G H1' 1 4 A H8 5.500 . 5.500 4.902 4.851 4.946 . 0 0 "[ . 1 . 2]" 1
38 1 3 G H2' 1 4 A H8 3.500 . 3.500 2.177 2.161 2.205 . 0 0 "[ . 1 . 2]" 1
39 1 3 G H3' 1 4 A H8 4.500 . 4.500 2.716 2.491 2.946 . 0 0 "[ . 1 . 2]" 1
40 1 2 A H1' 1 3 G H8 4.500 . 4.500 4.515 4.434 4.591 0.091 17 0 "[ . 1 . 2]" 1
41 1 4 A H1' 1 4 A H2 5.500 . 5.500 4.845 4.801 4.881 . 0 0 "[ . 1 . 2]" 1
42 1 4 A H1' 1 4 A H8 4.500 . 4.500 3.675 3.651 3.705 . 0 0 "[ . 1 . 2]" 1
43 1 4 A H1' 1 4 A H2' 3.500 . 3.500 2.721 2.699 2.769 . 0 0 "[ . 1 . 2]" 1
44 1 4 A H2' 1 4 A H8 4.500 . 4.500 4.122 4.029 4.191 . 0 0 "[ . 1 . 2]" 1
45 1 4 A H1' 1 4 A H4' 4.500 . 4.500 3.472 3.220 3.586 . 0 0 "[ . 1 . 2]" 1
46 1 4 A H5' 1 4 A H8 4.500 . 4.500 3.840 3.554 4.324 . 0 0 "[ . 1 . 2]" 1
47 1 3 G H2' 1 4 A H1' 4.500 . 4.500 4.099 3.881 4.398 . 0 0 "[ . 1 . 2]" 1
48 1 3 G H1 1 4 A H2 5.500 . 5.500 4.856 4.479 5.458 . 0 0 "[ . 1 . 2]" 1
49 1 4 A H2 1 5 G H1 5.500 . 5.500 5.163 4.735 5.469 . 0 0 "[ . 1 . 2]" 1
50 1 4 A H2 1 5 G H8 4.500 . 4.500 4.543 4.483 4.576 0.076 7 0 "[ . 1 . 2]" 1
51 1 3 G H4' 1 4 A H8 5.500 . 5.500 5.044 4.820 5.334 . 0 0 "[ . 1 . 2]" 1
52 1 3 G H8 1 4 A H8 5.500 . 5.500 5.330 4.844 5.545 0.045 11 0 "[ . 1 . 2]" 1
53 1 4 A H8 1 5 G H8 5.500 . 5.500 5.200 4.718 5.523 0.023 13 0 "[ . 1 . 2]" 1
54 1 5 G H1' 1 5 G H5' 4.500 . 4.500 4.572 4.542 4.635 0.135 7 0 "[ . 1 . 2]" 1
55 1 5 G H1' 1 5 G H5'' 5.500 . 5.500 5.178 5.140 5.211 . 0 0 "[ . 1 . 2]" 1
56 1 5 G H1' 1 5 G H2' 3.500 . 3.500 2.794 2.767 2.842 . 0 0 "[ . 1 . 2]" 1
57 1 5 G H2' 1 5 G H8 4.500 . 4.500 3.656 3.524 3.751 . 0 0 "[ . 1 . 2]" 1
58 1 5 G H1' 1 5 G H3' 4.500 . 4.500 3.918 3.890 3.966 . 0 0 "[ . 1 . 2]" 1
59 1 5 G H3' 1 5 G H8 3.500 . 3.500 3.070 2.918 3.364 . 0 0 "[ . 1 . 2]" 1
60 1 5 G H5'' 1 5 G H8 4.500 . 4.500 4.432 4.181 4.552 0.052 8 0 "[ . 1 . 2]" 1
61 1 5 G H1' 1 5 G H8 4.500 . 4.500 3.795 3.762 3.817 . 0 0 "[ . 1 . 2]" 1
62 1 5 G H4' 1 5 G H8 4.500 . 4.500 4.396 4.322 4.469 . 0 0 "[ . 1 . 2]" 1
63 1 5 G H1 1 10 G H1 5.500 4.500 6.500 5.225 4.744 5.944 . 0 0 "[ . 1 . 2]" 1
64 1 5 G H1 1 11 C H41 4.500 . 4.500 2.552 1.862 3.128 . 0 0 "[ . 1 . 2]" 1
65 1 4 A H2' 1 5 G H1' 4.500 . 4.500 4.438 4.305 4.525 0.025 4 0 "[ . 1 . 2]" 1
66 1 4 A H2 1 5 G H1' 5.500 . 5.500 3.658 3.358 4.033 . 0 0 "[ . 1 . 2]" 1
67 1 5 G H1 1 6 PSU H1' 5.500 4.500 6.500 4.877 4.498 5.326 0.002 7 0 "[ . 1 . 2]" 1
68 1 5 G H2' 1 6 PSU HN1 5.500 4.500 6.500 5.635 5.357 5.919 . 0 0 "[ . 1 . 2]" 1
69 1 5 G H2' 1 6 PSU H5'' 4.500 3.500 5.500 4.056 3.485 4.398 0.015 8 0 "[ . 1 . 2]" 1
70 1 5 G H3' 1 6 PSU HN1 5.500 4.500 6.500 4.910 4.515 5.675 . 0 0 "[ . 1 . 2]" 1
71 1 4 A H1' 1 5 G H8 5.500 . 5.500 4.774 4.623 4.874 . 0 0 "[ . 1 . 2]" 1
72 1 4 A H2' 1 5 G H8 4.500 . 4.500 2.156 2.110 2.190 . 0 0 "[ . 1 . 2]" 1
73 1 4 A H4' 1 5 G H8 5.500 . 5.500 5.568 5.513 5.635 0.135 18 0 "[ . 1 . 2]" 1
74 1 5 G H8 1 6 PSU H1' 5.500 4.500 6.500 6.119 5.822 6.385 . 0 0 "[ . 1 . 2]" 1
75 1 5 G H8 1 6 PSU H6 4.500 3.500 5.500 5.410 4.885 5.544 0.044 1 0 "[ . 1 . 2]" 1
76 1 6 PSU H1' 1 6 PSU H6 4.500 . 4.500 3.569 3.532 3.594 . 0 0 "[ . 1 . 2]" 1
77 1 6 PSU H1' 1 6 PSU H3' 4.500 3.500 5.500 3.936 3.903 3.956 . 0 0 "[ . 1 . 2]" 1
78 1 6 PSU H3' 1 6 PSU H5'' 3.500 . 4.500 2.234 2.155 2.627 . 0 0 "[ . 1 . 2]" 1
79 1 6 PSU H1' 1 6 PSU H4' 3.500 . 4.500 3.251 3.004 3.387 . 0 0 "[ . 1 . 2]" 1
80 1 6 PSU H5' 1 6 PSU H6 3.500 2.500 4.500 4.190 3.968 4.621 0.121 16 0 "[ . 1 . 2]" 1
81 1 6 PSU H2' 1 6 PSU H6 3.500 . 3.500 3.587 3.543 3.634 0.134 8 0 "[ . 1 . 2]" 1
82 1 6 PSU H3' 1 6 PSU H6 3.500 . 3.500 3.049 2.775 3.485 . 0 0 "[ . 1 . 2]" 1
83 1 6 PSU H4' 1 6 PSU H6 4.500 3.500 5.500 4.060 3.937 4.219 . 0 0 "[ . 1 . 2]" 1
84 1 6 PSU H5'' 1 6 PSU H6 4.500 3.500 5.500 2.727 2.437 3.267 1.063 17 17 "[* ***-** ****** +***]" 1
85 1 6 PSU H2' 1 7 PSU H5'' 3.500 2.500 4.500 4.767 3.997 5.525 1.025 19 8 "[ * .* *1* .- *+*]" 1
86 1 5 G H2' 1 6 PSU H4' 4.500 3.500 5.500 3.587 3.474 3.762 0.026 17 0 "[ . 1 . 2]" 1
87 1 5 G H2' 1 6 PSU H5' 3.500 2.500 4.500 4.201 3.542 4.632 0.132 6 0 "[ . 1 . 2]" 1
88 1 5 G H1' 1 6 PSU H6 5.500 4.500 6.500 6.448 6.276 6.542 0.042 17 0 "[ . 1 . 2]" 1
89 1 5 G H2' 1 6 PSU H6 3.500 2.500 4.500 3.723 3.535 3.970 . 0 0 "[ . 1 . 2]" 1
90 1 5 G H3' 1 6 PSU H6 3.500 2.500 4.500 3.803 3.549 4.227 . 0 0 "[ . 1 . 2]" 1
91 1 7 PSU H1' 1 7 PSU H2' 3.500 2.500 4.500 2.861 2.713 3.018 . 0 0 "[ . 1 . 2]" 1
92 1 7 PSU H1' 1 7 PSU H3' 3.500 2.500 4.500 3.966 3.864 4.103 . 0 0 "[ . 1 . 2]" 1
93 1 7 PSU H3' 1 7 PSU H5' 3.500 . 4.500 3.134 2.541 3.659 . 0 0 "[ . 1 . 2]" 1
94 1 7 PSU H1' 1 7 PSU H4' 3.500 . 4.500 3.605 2.953 3.896 . 0 0 "[ . 1 . 2]" 1
95 1 7 PSU H4' 1 7 PSU H6 4.500 3.500 5.500 3.890 3.600 4.298 . 0 0 "[ . 1 . 2]" 1
96 1 7 PSU H3' 1 7 PSU H5'' 3.500 . 4.500 2.320 2.177 2.590 . 0 0 "[ . 1 . 2]" 1
97 1 7 PSU H4' 1 7 PSU H5'' 3.500 . 4.500 2.867 2.624 3.041 . 0 0 "[ . 1 . 2]" 1
98 1 7 PSU H1' 1 7 PSU H6 4.500 . 4.500 3.478 3.319 3.621 . 0 0 "[ . 1 . 2]" 1
99 1 7 PSU H2' 1 7 PSU H6 3.500 2.500 4.500 3.736 3.056 4.235 . 0 0 "[ . 1 . 2]" 1
100 1 7 PSU H3' 1 7 PSU H6 3.500 2.500 4.500 4.000 3.132 4.516 0.016 8 0 "[ . 1 . 2]" 1
101 1 7 PSU H5'' 1 7 PSU H6 3.500 2.500 4.500 3.178 2.470 4.412 0.030 10 0 "[ . 1 . 2]" 1
102 1 7 PSU H5' 1 7 PSU H6 3.500 2.500 4.500 3.701 3.221 4.207 . 0 0 "[ . 1 . 2]" 1
103 1 6 PSU H2' 1 7 PSU H1' 3.500 2.500 4.500 4.223 3.570 4.520 0.020 16 0 "[ . 1 . 2]" 1
104 1 7 PSU H1' 1 8 G H4' 4.500 3.500 5.500 5.361 4.753 5.536 0.036 11 0 "[ . 1 . 2]" 1
105 1 7 PSU H1' 1 8 G H5' 4.500 3.500 5.500 3.935 3.477 4.631 0.023 6 0 "[ . 1 . 2]" 1
106 1 7 PSU H1' 1 8 G H5'' 5.500 4.500 6.500 5.445 4.499 6.263 0.001 4 0 "[ . 1 . 2]" 1
107 1 6 PSU H2' 1 7 PSU H2' 5.500 4.500 6.500 5.635 4.875 6.221 . 0 0 "[ . 1 . 2]" 1
108 1 7 PSU H2' 1 8 G H4' 4.500 . 4.500 4.129 3.143 4.525 0.025 4 0 "[ . 1 . 2]" 1
109 1 7 PSU H2' 1 8 G H5' 4.500 . 4.500 3.543 2.612 4.323 . 0 0 "[ . 1 . 2]" 1
110 1 7 PSU H2' 1 8 G H5'' 5.500 . 5.500 5.076 3.737 5.525 0.025 10 0 "[ . 1 . 2]" 1
111 1 6 PSU H2' 1 7 PSU H4' 4.500 3.500 5.500 4.253 3.546 5.093 . 0 0 "[ . 1 . 2]" 1
112 1 6 PSU H2' 1 7 PSU H5' 4.500 3.500 5.500 4.384 3.840 4.519 . 0 0 "[ . 1 . 2]" 1
113 1 6 PSU H3' 1 7 PSU H5'' 5.500 4.500 6.500 5.380 5.048 5.640 . 0 0 "[ . 1 . 2]" 1
114 1 6 PSU H1' 1 7 PSU H6 5.500 4.500 6.500 5.093 4.609 5.861 . 0 0 "[ . 1 . 2]" 1
115 1 6 PSU H2' 1 7 PSU H6 3.500 . 3.500 2.486 2.186 3.284 . 0 0 "[ . 1 . 2]" 1
116 1 6 PSU H3' 1 7 PSU H6 3.500 2.500 4.500 3.673 3.318 4.112 . 0 0 "[ . 1 . 2]" 1
117 1 6 PSU H5'' 1 7 PSU H6 5.500 4.500 6.500 5.848 5.525 6.498 . 0 0 "[ . 1 . 2]" 1
118 1 6 PSU H6 1 7 PSU H6 5.500 4.500 6.500 5.713 5.302 6.412 . 0 0 "[ . 1 . 2]" 1
119 1 8 G H1' 1 8 G H2' 3.500 . 3.500 2.974 2.919 3.021 . 0 0 "[ . 1 . 2]" 1
120 1 8 G H2' 1 8 G H5'' 5.500 . 5.500 2.984 2.412 4.133 . 0 0 "[ . 1 . 2]" 1
121 1 8 G H1' 1 8 G H4' 4.500 . 4.500 3.662 2.995 3.872 . 0 0 "[ . 1 . 2]" 1
122 1 8 G H1' 1 8 G H5'' 5.500 . 5.500 4.649 4.177 4.978 . 0 0 "[ . 1 . 2]" 1
123 1 8 G H1' 1 8 G H5' 5.500 4.500 6.500 4.997 4.700 5.140 . 0 0 "[ . 1 . 2]" 1
124 1 8 G H1' 1 8 G H8 3.500 . 4.500 3.659 3.510 3.876 . 0 0 "[ . 1 . 2]" 1
125 1 8 G H2' 1 8 G H8 3.500 . 4.500 3.673 2.837 4.092 . 0 0 "[ . 1 . 2]" 1
126 1 8 G H5'' 1 8 G H8 5.500 . 5.500 3.870 2.459 4.903 . 0 0 "[ . 1 . 2]" 1
127 1 7 PSU H3' 1 8 G H1' 6.500 . 6.500 6.125 4.398 6.666 0.166 20 0 "[ . 1 . 2]" 1
128 1 8 G H1' 1 9 G H5'' 6.500 5.500 7.500 5.950 5.631 6.186 . 0 0 "[ . 1 . 2]" 1
129 1 8 G H2' 1 9 G H8 4.500 3.500 5.500 5.424 5.025 5.552 0.052 15 0 "[ . 1 . 2]" 1
130 1 8 G H3' 1 9 G H8 4.500 3.500 5.500 4.885 4.606 5.159 . 0 0 "[ . 1 . 2]" 1
131 1 7 PSU H1' 1 8 G H8 6.500 . 6.500 6.148 5.491 6.535 0.035 20 0 "[ . 1 . 2]" 1
132 1 7 PSU H2' 1 8 G H8 4.500 3.500 5.500 4.447 3.552 5.495 . 0 0 "[ . 1 . 2]" 1
133 1 7 PSU H4' 1 8 G H8 5.500 . 5.500 4.913 3.441 5.520 0.020 13 0 "[ . 1 . 2]" 1
134 1 8 G H5'' 1 9 G H22 4.500 . 4.500 3.856 2.483 4.525 0.025 3 0 "[ . 1 . 2]" 1
135 1 9 G H1' 1 9 G H5' 5.500 . 5.500 5.213 5.157 5.248 . 0 0 "[ . 1 . 2]" 1
136 1 9 G H1' 1 9 G H5'' 5.500 . 5.500 4.316 4.201 4.452 . 0 0 "[ . 1 . 2]" 1
137 1 9 G H1' 1 9 G H2' 4.500 . 4.500 2.707 2.695 2.732 . 0 0 "[ . 1 . 2]" 1
138 1 9 G H2' 1 9 G H4' 4.500 . 4.500 4.051 4.038 4.085 . 0 0 "[ . 1 . 2]" 1
139 1 9 G H2' 1 9 G H5' 4.500 3.500 5.500 4.758 4.568 4.946 . 0 0 "[ . 1 . 2]" 1
140 1 9 G H2' 1 9 G H8 4.500 3.500 4.500 4.247 4.131 4.307 . 0 0 "[ . 1 . 2]" 1
141 1 9 G H1' 1 9 G H3' 4.500 3.500 5.500 3.978 3.956 4.019 . 0 0 "[ . 1 . 2]" 1
142 1 9 G H2' 1 9 G H3' 3.500 . 3.500 2.324 2.316 2.332 . 0 0 "[ . 1 . 2]" 1
143 1 9 G H3' 1 9 G H4' 3.500 . 3.500 2.938 2.903 2.950 . 0 0 "[ . 1 . 2]" 1
144 1 9 G H3' 1 9 G H8 4.500 . 5.500 5.332 5.279 5.430 . 0 0 "[ . 1 . 2]" 1
145 1 9 G H4' 1 9 G H8 5.500 . 5.500 5.611 5.567 5.685 0.185 3 0 "[ . 1 . 2]" 1
146 1 9 G H1' 1 9 G H4' 3.500 2.500 4.500 3.796 3.718 3.856 . 0 0 "[ . 1 . 2]" 1
147 1 9 G H3' 1 9 G H5'' 3.500 . 4.500 2.292 2.127 2.513 . 0 0 "[ . 1 . 2]" 1
148 1 9 G H3' 1 9 G H5' 3.500 . 4.500 2.710 2.453 2.987 . 0 0 "[ . 1 . 2]" 1
149 1 9 G H5' 1 9 G H8 6.500 . 6.500 6.233 6.121 6.448 . 0 0 "[ . 1 . 2]" 1
150 1 9 G H5'' 1 9 G H8 6.500 . 6.500 4.813 4.558 5.000 . 0 0 "[ . 1 . 2]" 1
151 1 9 G H1' 1 9 G H8 3.500 . 3.500 2.609 2.558 2.644 . 0 0 "[ . 1 . 2]" 1
152 1 9 G H22 1 9 G H5' 4.500 . 4.500 3.902 3.238 4.440 . 0 0 "[ . 1 . 2]" 1
153 1 9 G H1' 1 10 G H8 6.500 . 6.500 6.356 6.142 6.545 0.045 18 0 "[ . 1 . 2]" 1
154 1 9 G H2' 1 10 G H4' 5.500 . 5.500 2.443 2.340 2.614 . 0 0 "[ . 1 . 2]" 1
155 1 9 G H2' 1 10 G H5' 6.500 . 6.500 2.194 2.173 2.279 . 0 0 "[ . 1 . 2]" 1
156 1 8 G H3' 1 9 G H2' 5.500 . 5.500 5.447 5.050 5.551 0.051 1 0 "[ . 1 . 2]" 1
157 1 9 G H3' 1 10 G H1' . . 5.500 4.423 4.221 4.618 . 0 0 "[ . 1 . 2]" 1
158 1 9 G H3' 1 10 G H4' 5.500 . 5.500 4.203 4.113 4.381 . 0 0 "[ . 1 . 2]" 1
159 1 9 G H3' 1 10 G H8 4.500 . 4.500 3.021 2.780 3.329 . 0 0 "[ . 1 . 2]" 1
160 1 8 G H3' 1 9 G H3' 5.500 . 5.500 4.287 3.906 4.541 . 0 0 "[ . 1 . 2]" 1
161 1 8 G H4' 1 9 G H3' 5.500 . 5.500 5.432 5.263 5.545 0.045 17 0 "[ . 1 . 2]" 1
162 1 9 G H5' 1 10 G H1' 6.500 . 6.500 6.424 5.814 6.945 0.445 6 0 "[ . 1 . 2]" 1
163 1 9 G H8 1 10 G H4' 5.500 . 5.500 5.518 5.332 5.560 0.060 12 0 "[ . 1 . 2]" 1
164 1 10 G H1' 1 10 G H2' 4.500 . 4.500 2.744 2.718 2.762 . 0 0 "[ . 1 . 2]" 1
165 1 10 G H2' 1 10 G H8 4.500 3.500 5.500 3.910 3.811 4.043 . 0 0 "[ . 1 . 2]" 1
166 1 10 G H3' 1 10 G H8 4.500 3.500 5.500 3.431 3.381 3.467 0.119 19 0 "[ . 1 . 2]" 1
167 1 10 G H1' 1 10 G H4' 4.500 . 4.500 3.697 3.635 3.754 . 0 0 "[ . 1 . 2]" 1
168 1 10 G H4' 1 10 G H8 4.500 3.500 5.500 4.058 3.980 4.161 . 0 0 "[ . 1 . 2]" 1
169 1 10 G H1' 1 10 G H5' 5.500 . 5.500 5.144 5.116 5.184 . 0 0 "[ . 1 . 2]" 1
170 1 10 G H1' 1 10 G H8 4.500 3.500 5.500 3.752 3.707 3.781 . 0 0 "[ . 1 . 2]" 1
171 1 10 G H5' 1 10 G H8 4.500 . 4.500 3.560 3.430 3.752 . 0 0 "[ . 1 . 2]" 1
172 1 10 G H1 1 11 C H41 6.500 . 6.500 4.806 4.095 5.309 . 0 0 "[ . 1 . 2]" 1
173 1 10 G H1 1 11 C H42 6.500 . 6.500 5.428 4.695 6.009 . 0 0 "[ . 1 . 2]" 1
174 1 9 G H2' 1 10 G H1' 5.500 4.500 6.500 4.486 4.422 4.725 0.078 10 0 "[ . 1 . 2]" 1
175 1 9 G H4' 1 10 G H1' 6.500 3.500 7.500 7.314 7.115 7.518 0.018 6 0 "[ . 1 . 2]" 1
176 1 10 G H3' 1 11 C H6 4.500 3.500 5.500 3.587 3.489 3.732 0.011 1 0 "[ . 1 . 2]" 1
177 1 9 G H3' 1 10 G H5' 5.500 . 5.500 3.723 3.649 3.852 . 0 0 "[ . 1 . 2]" 1
178 1 10 G H8 1 11 C H6 5.500 4.500 6.500 6.270 6.133 6.393 . 0 0 "[ . 1 . 2]" 1
179 1 9 G H4' 1 10 G H8 5.500 4.500 6.500 5.516 5.269 5.881 . 0 0 "[ . 1 . 2]" 1
180 1 9 G H5'' 1 10 G H8 5.500 4.500 6.500 5.039 4.642 5.523 . 0 0 "[ . 1 . 2]" 1
181 1 9 G H5' 1 10 G H8 5.500 4.500 6.500 5.133 4.544 5.564 . 0 0 "[ . 1 . 2]" 1
182 1 9 G H22 1 10 G H5' 6.500 . 6.500 5.055 4.875 5.412 . 0 0 "[ . 1 . 2]" 1
183 1 11 C H1' 1 11 C H4' 4.500 . 4.500 3.550 3.420 3.619 . 0 0 "[ . 1 . 2]" 1
184 1 11 C H1' 1 11 C H5' 5.500 . 5.500 4.883 4.820 4.932 . 0 0 "[ . 1 . 2]" 1
185 1 11 C H1' 1 11 C H6 4.500 . 4.500 3.580 3.530 3.618 . 0 0 "[ . 1 . 2]" 1
186 1 11 C H1' 1 11 C H2' 3.500 . 3.500 2.687 2.666 2.720 . 0 0 "[ . 1 . 2]" 1
187 1 11 C H1' 1 11 C H5 5.500 . 5.500 5.340 5.305 5.369 . 0 0 "[ . 1 . 2]" 1
188 1 11 C H3' 1 11 C H5 4.500 . 4.500 4.497 4.438 4.537 0.037 4 0 "[ . 1 . 2]" 1
189 1 11 C H5' 1 11 C H6 4.500 . 4.500 3.266 3.106 3.515 . 0 0 "[ . 1 . 2]" 1
190 1 11 C H2' 1 11 C H6 4.500 . 4.500 3.847 3.678 4.012 . 0 0 "[ . 1 . 2]" 1
191 1 11 C H3' 1 11 C H6 3.500 . 3.500 2.808 2.717 2.966 . 0 0 "[ . 1 . 2]" 1
192 1 11 C H1' 1 12 PSU H6 4.500 . 4.500 4.635 4.577 4.681 0.181 9 0 "[ . 1 . 2]" 1
193 1 11 C H2' 1 12 PSU HN1 3.500 . 3.500 3.190 2.478 3.539 0.039 10 0 "[ . 1 . 2]" 1
194 1 11 C H3' 1 12 PSU HN1 3.500 . 3.500 3.372 2.981 3.532 0.032 18 0 "[ . 1 . 2]" 1
195 1 11 C H41 1 12 PSU HN3 5.500 . 5.500 4.652 3.602 5.368 . 0 0 "[ . 1 . 2]" 1
196 1 5 G H1 1 11 C H42 4.500 . 4.500 4.053 3.435 4.525 0.025 19 0 "[ . 1 . 2]" 1
197 1 10 G H1' 1 11 C H6 4.500 . 4.500 4.501 4.395 4.537 0.037 12 0 "[ . 1 . 2]" 1
198 1 10 G H2' 1 11 C H6 3.500 . 3.500 2.501 2.300 2.761 . 0 0 "[ . 1 . 2]" 1
199 1 11 C H6 1 12 PSU H6 5.500 . 5.500 5.349 4.930 5.547 0.047 8 0 "[ . 1 . 2]" 1
200 1 12 PSU H1' 1 12 PSU H2' 3.500 . 3.500 2.770 2.720 2.815 . 0 0 "[ . 1 . 2]" 1
201 1 12 PSU H2' 1 12 PSU H6 4.500 . 4.500 3.587 3.360 3.726 . 0 0 "[ . 1 . 2]" 1
202 1 12 PSU H1' 1 12 PSU H3' 4.500 . 4.500 3.898 3.867 3.923 . 0 0 "[ . 1 . 2]" 1
203 1 12 PSU H3' 1 12 PSU H6 3.500 . 3.500 2.703 2.292 2.999 . 0 0 "[ . 1 . 2]" 1
204 1 12 PSU H1' 1 12 PSU H4' 4.500 . 4.500 3.373 3.214 3.535 . 0 0 "[ . 1 . 2]" 1
205 1 12 PSU H4' 1 12 PSU H6 4.500 . 4.500 3.945 3.747 4.096 . 0 0 "[ . 1 . 2]" 1
206 1 12 PSU H5' 1 12 PSU H6 4.500 . 4.500 3.375 2.970 3.671 . 0 0 "[ . 1 . 2]" 1
207 1 12 PSU H1' 1 12 PSU H6 4.500 . 4.500 3.607 3.560 3.653 . 0 0 "[ . 1 . 2]" 1
208 1 12 PSU H5'' 1 12 PSU H6 4.500 . 4.500 3.816 3.480 4.204 . 0 0 "[ . 1 . 2]" 1
209 1 12 PSU H2' 1 13 C H6 3.500 . 3.500 2.326 2.188 2.717 . 0 0 "[ . 1 . 2]" 1
210 1 11 C H42 1 12 PSU HN3 6.500 . 6.500 5.853 4.929 6.462 . 0 0 "[ . 1 . 2]" 1
211 1 12 PSU HN3 1 13 C H41 4.500 . 4.500 3.695 3.259 4.055 . 0 0 "[ . 1 . 2]" 1
212 1 12 PSU H3' 1 13 C H6 3.500 . 3.500 3.359 3.000 3.524 0.024 20 0 "[ . 1 . 2]" 1
213 1 3 G H1 1 12 PSU HN3 4.500 . 4.500 4.420 4.112 4.519 0.019 11 0 "[ . 1 . 2]" 1
214 1 4 A H2 1 12 PSU HN3 3.500 . 3.500 2.645 2.315 3.134 . 0 0 "[ . 1 . 2]" 1
215 1 5 G H1 1 12 PSU HN3 4.500 . 4.500 3.750 2.944 4.323 . 0 0 "[ . 1 . 2]" 1
216 1 11 C H2' 1 12 PSU H6 3.500 . 3.500 2.077 2.054 2.116 . 0 0 "[ . 1 . 2]" 1
217 1 11 C H3' 1 12 PSU H6 3.500 . 3.500 3.409 2.817 3.559 0.059 4 0 "[ . 1 . 2]" 1
218 1 13 C H1' 1 13 C H2' 3.500 . 3.500 2.785 2.747 2.836 . 0 0 "[ . 1 . 2]" 1
219 1 13 C H1' 1 13 C H3' 4.500 . 4.500 3.911 3.886 3.937 . 0 0 "[ . 1 . 2]" 1
220 1 13 C H3' 1 13 C H6 3.500 . 3.500 2.481 2.214 2.788 . 0 0 "[ . 1 . 2]" 1
221 1 13 C H1' 1 13 C H5' 5.500 . 5.500 4.704 4.572 4.828 . 0 0 "[ . 1 . 2]" 1
222 1 13 C H2' 1 13 C H5 5.500 . 5.500 4.782 4.617 4.886 . 0 0 "[ . 1 . 2]" 1
223 1 13 C H5' 1 13 C H6 4.500 . 4.500 3.643 3.255 4.110 . 0 0 "[ . 1 . 2]" 1
224 1 13 C H1' 1 13 C H6 4.500 . 4.500 3.695 3.660 3.723 . 0 0 "[ . 1 . 2]" 1
225 1 13 C H2' 1 13 C H6 4.500 . 4.500 3.242 3.009 3.405 . 0 0 "[ . 1 . 2]" 1
226 1 13 C H4' 1 13 C H6 4.500 . 4.500 4.076 3.951 4.220 . 0 0 "[ . 1 . 2]" 1
227 1 12 PSU H2' 1 13 C H1' 4.500 . 4.500 4.294 3.922 4.515 0.015 5 0 "[ . 1 . 2]" 1
228 1 13 C H2' 1 14 PSU HN1 3.500 . 3.500 2.243 2.176 2.419 . 0 0 "[ . 1 . 2]" 1
229 1 13 C H3' 1 14 PSU HN1 3.500 . 3.500 3.444 3.129 3.526 0.026 13 0 "[ . 1 . 2]" 1
230 1 3 G H1 1 13 C H41 3.500 . 3.500 2.273 1.857 2.887 . 0 0 "[ . 1 . 2]" 1
231 1 12 PSU HN3 1 13 C H42 4.500 . 4.500 4.209 3.565 4.501 0.001 1 0 "[ . 1 . 2]" 1
232 1 3 G H1 1 13 C H42 4.500 . 4.500 3.715 3.330 4.267 . 0 0 "[ . 1 . 2]" 1
233 1 12 PSU H3' 1 13 C H5 4.500 . 4.500 3.487 3.009 4.045 . 0 0 "[ . 1 . 2]" 1
234 1 12 PSU H6 1 13 C H5 6.500 . 6.500 4.259 3.768 4.508 . 0 0 "[ . 1 . 2]" 1
235 1 13 C H5 1 14 PSU H6 6.500 . 6.500 6.386 6.021 6.537 0.037 1 0 "[ . 1 . 2]" 1
236 1 3 G H1 1 13 C H5 5.500 . 5.500 4.777 4.538 5.107 . 0 0 "[ . 1 . 2]" 1
237 1 4 A H2 1 13 C H5 6.500 . 6.500 6.472 6.202 6.542 0.042 1 0 "[ . 1 . 2]" 1
238 1 12 PSU H1' 1 13 C H6 6.500 . 6.500 5.061 4.838 5.494 . 0 0 "[ . 1 . 2]" 1
239 1 12 PSU H6 1 13 C H6 5.500 . 5.500 5.145 4.739 5.449 . 0 0 "[ . 1 . 2]" 1
240 1 14 PSU H1' 1 14 PSU H6 4.500 . 4.500 3.662 3.635 3.685 . 0 0 "[ . 1 . 2]" 1
241 1 14 PSU H2' 1 14 PSU H6 4.500 . 4.500 3.411 3.190 3.533 . 0 0 "[ . 1 . 2]" 1
242 1 14 PSU H4' 1 14 PSU H6 4.500 . 4.500 3.802 3.733 3.872 . 0 0 "[ . 1 . 2]" 1
243 1 14 PSU H5'' 1 14 PSU H6 4.500 . 4.500 3.617 3.487 3.755 . 0 0 "[ . 1 . 2]" 1
244 1 14 PSU H5' 1 14 PSU H6 6.500 . 6.500 2.891 2.490 3.180 . 0 0 "[ . 1 . 2]" 1
245 1 14 PSU H3' 1 14 PSU H6 3.500 . 3.500 2.355 2.200 2.596 . 0 0 "[ . 1 . 2]" 1
246 1 14 PSU H2' 1 15 C H1' 5.500 . 5.500 4.236 3.986 4.618 . 0 0 "[ . 1 . 2]" 1
247 1 14 PSU HN3 1 15 C H42 5.500 . 5.500 5.015 4.358 5.433 . 0 0 "[ . 1 . 2]" 1
248 1 14 PSU H3' 1 15 C H5 4.500 . 4.500 3.475 3.128 3.806 . 0 0 "[ . 1 . 2]" 1
249 1 2 A H2 1 14 PSU HN3 3.500 . 3.500 3.418 3.132 3.538 0.038 5 0 "[ . 1 . 2]" 1
250 1 3 G H1 1 14 PSU HN3 5.500 . 5.500 3.987 3.446 4.485 . 0 0 "[ . 1 . 2]" 1
251 1 13 C H1' 1 14 PSU H5' 6.500 . 6.500 4.197 3.849 4.612 . 0 0 "[ . 1 . 2]" 1
252 1 13 C H1' 1 14 PSU H6 4.500 . 4.500 4.540 4.507 4.585 0.085 8 0 "[ . 1 . 2]" 1
253 1 13 C H2' 1 14 PSU H6 3.500 . 3.500 2.165 2.126 2.196 . 0 0 "[ . 1 . 2]" 1
254 1 13 C H6 1 14 PSU H6 5.500 . 5.500 5.239 4.963 5.431 . 0 0 "[ . 1 . 2]" 1
255 1 14 PSU H6 1 15 C H5 5.500 . 5.500 4.264 3.657 4.757 . 0 0 "[ . 1 . 2]" 1
256 1 15 C H1' 1 15 C H5' 5.500 . 5.500 4.702 4.600 4.823 . 0 0 "[ . 1 . 2]" 1
257 1 15 C H1' 1 15 C H2' 3.500 . 3.500 2.758 2.729 2.782 . 0 0 "[ . 1 . 2]" 1
258 1 15 C H2' 1 15 C H6 3.500 . 3.500 3.405 3.161 3.493 . 0 0 "[ . 1 . 2]" 1
259 1 15 C H3' 1 15 C H5 4.500 . 4.500 4.396 4.253 4.520 0.020 11 0 "[ . 1 . 2]" 1
260 1 15 C H1' 1 15 C H3' 4.500 . 4.500 3.841 3.831 3.859 . 0 0 "[ . 1 . 2]" 1
261 1 15 C H1' 1 15 C H6 4.500 . 4.500 3.682 3.666 3.712 . 0 0 "[ . 1 . 2]" 1
262 1 15 C H3' 1 15 C H6 3.500 . 3.500 2.353 2.187 2.504 . 0 0 "[ . 1 . 2]" 1
263 1 15 C H5'' 1 15 C H6 4.500 . 4.500 3.818 3.467 4.035 . 0 0 "[ . 1 . 2]" 1
264 1 14 PSU HN3 1 15 C H41 5.500 . 5.500 4.631 3.977 5.087 . 0 0 "[ . 1 . 2]" 1
265 1 1 G H1 1 15 C H41 4.500 . 4.500 2.494 1.879 3.040 . 0 0 "[ . 1 . 2]" 1
266 1 1 G H1 1 15 C H42 4.500 . 4.500 4.007 3.519 4.473 . 0 0 "[ . 1 . 2]" 1
267 1 14 PSU HN1 1 15 C H5 5.500 . 5.500 4.334 3.545 4.895 . 0 0 "[ . 1 . 2]" 1
268 1 14 PSU H2' 1 15 C H5 3.500 . 3.500 3.396 3.185 3.538 0.038 14 0 "[ . 1 . 2]" 1
269 1 14 PSU H2' 1 15 C H6 3.500 . 3.500 2.251 2.182 2.392 . 0 0 "[ . 1 . 2]" 1
270 1 14 PSU H3' 1 15 C H6 3.500 . 3.500 3.402 3.130 3.542 0.042 9 0 "[ . 1 . 2]" 1
271 1 14 PSU H6 1 15 C H6 5.500 . 5.500 4.960 4.604 5.276 . 0 0 "[ . 1 . 2]" 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 27
_Distance_constraint_stats_list.Viol_count 58
_Distance_constraint_stats_list.Viol_total 16.830
_Distance_constraint_stats_list.Viol_max 0.053
_Distance_constraint_stats_list.Viol_rms 0.0058
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0016
_Distance_constraint_stats_list.Viol_average_violations_only 0.0145
_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 G 0.052 0.018 4 0 "[ . 1 . 2]"
1 2 A 0.065 0.022 5 0 "[ . 1 . 2]"
1 3 G 0.350 0.044 7 0 "[ . 1 . 2]"
1 4 A 0.188 0.053 13 0 "[ . 1 . 2]"
1 5 G 0.084 0.020 16 0 "[ . 1 . 2]"
1 6 PSU 0.102 0.019 20 0 "[ . 1 . 2]"
1 10 G 0.102 0.019 20 0 "[ . 1 . 2]"
1 11 C 0.084 0.020 16 0 "[ . 1 . 2]"
1 12 PSU 0.188 0.053 13 0 "[ . 1 . 2]"
1 13 C 0.350 0.044 7 0 "[ . 1 . 2]"
1 14 PSU 0.065 0.022 5 0 "[ . 1 . 2]"
1 15 C 0.052 0.018 4 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 1 1 G H1 1 15 C N3 1.890 . 2.090 1.937 1.797 2.107 0.017 18 0 "[ . 1 . 2]" 2
2 1 1 G N1 1 15 C N3 2.900 2.700 3.100 2.922 2.774 3.072 . 0 0 "[ . 1 . 2]" 2
3 1 1 G O6 1 15 C H41 1.950 . 2.150 1.994 1.817 2.117 . 0 0 "[ . 1 . 2]" 2
4 1 1 G O6 1 15 C N4 2.950 2.750 3.150 2.953 2.766 3.106 . 0 0 "[ . 1 . 2]" 2
5 1 1 G H21 1 15 C O2 1.950 . 2.150 1.887 1.755 2.117 . 0 0 "[ . 1 . 2]" 2
6 1 1 G N2 1 15 C O2 2.950 2.750 3.150 2.868 2.732 3.111 0.018 4 0 "[ . 1 . 2]" 2
7 1 2 A N1 1 14 PSU HN3 2.000 . 2.200 2.116 1.807 2.204 0.004 13 0 "[ . 1 . 2]" 2
8 1 2 A N1 1 14 PSU N3 2.900 2.600 3.200 3.099 2.781 3.211 0.011 13 0 "[ . 1 . 2]" 2
9 1 2 A H61 1 14 PSU O2 2.000 . 2.200 1.929 1.778 2.172 0.022 5 0 "[ . 1 . 2]" 2
10 1 2 A N6 1 14 PSU O2 2.900 2.600 3.200 2.876 2.661 3.159 . 0 0 "[ . 1 . 2]" 2
11 1 3 G H1 1 13 C N3 1.890 . 2.090 1.927 1.821 2.035 . 0 0 "[ . 1 . 2]" 2
12 1 3 G N1 1 13 C N3 2.900 2.700 3.100 2.905 2.800 3.045 . 0 0 "[ . 1 . 2]" 2
13 1 3 G O6 1 13 C H41 1.950 . 2.150 1.880 1.733 2.090 0.017 7 0 "[ . 1 . 2]" 2
14 1 3 G O6 1 13 C N4 2.950 2.750 3.150 2.773 2.706 2.966 0.044 7 0 "[ . 1 . 2]" 2
15 1 3 G H21 1 13 C O2 1.950 . 2.150 1.961 1.764 2.155 0.005 17 0 "[ . 1 . 2]" 2
16 1 3 G N2 1 13 C O2 2.950 2.750 3.150 2.919 2.725 3.139 0.025 11 0 "[ . 1 . 2]" 2
17 1 4 A N1 1 12 PSU HN3 2.000 . 2.200 1.894 1.747 2.074 0.053 13 0 "[ . 1 . 2]" 2
18 1 4 A N1 1 12 PSU N3 2.900 2.600 3.200 2.885 2.699 3.081 . 0 0 "[ . 1 . 2]" 2
19 1 4 A H61 1 12 PSU O2 2.000 . 2.200 2.118 1.841 2.229 0.029 13 0 "[ . 1 . 2]" 2
20 1 4 A N6 1 12 PSU O2 2.900 2.600 3.200 3.096 2.797 3.208 0.008 11 0 "[ . 1 . 2]" 2
21 1 5 G H1 1 11 C N3 1.890 . 2.090 1.957 1.849 2.089 . 0 0 "[ . 1 . 2]" 2
22 1 5 G N1 1 11 C N3 2.900 2.700 3.100 2.940 2.842 3.094 . 0 0 "[ . 1 . 2]" 2
23 1 5 G O6 1 11 C H41 1.950 . 2.150 1.936 1.750 2.170 0.020 16 0 "[ . 1 . 2]" 2
24 1 5 G O6 1 11 C N4 2.950 2.750 3.150 2.908 2.740 3.154 0.010 1 0 "[ . 1 . 2]" 2
25 1 5 G H21 1 11 C O2 1.950 . 2.150 1.886 1.731 2.138 0.019 7 0 "[ . 1 . 2]" 2
26 1 5 G N2 1 11 C O2 2.950 2.750 3.150 2.865 2.741 3.111 0.009 7 0 "[ . 1 . 2]" 2
27 1 6 PSU O4 1 10 G H1 1.890 . 2.090 1.811 1.673 2.109 0.019 20 0 "[ . 1 . 2]" 2
stop_
save_
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