NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
613140 |
5b7j   |
36001 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5b7j
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 231
_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
2 2 DA 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 DA 0.000 0.000 . 0 "[ . 1 . 2]"
2 4 DA 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 DA 0.000 0.000 . 0 "[ . 1 . 2]"
2 6 DC 0.000 0.000 . 0 "[ . 1 . 2]"
2 7 DA 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 DA 0.000 0.000 . 0 "[ . 1 . 2]"
2 9 DT 0.000 0.000 . 0 "[ . 1 . 2]"
2 10 DA 0.000 0.000 . 0 "[ . 1 . 2]"
2 11 DT 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 DT 0.000 0.000 . 0 "[ . 1 . 2]"
3 2 DA 0.000 0.000 . 0 "[ . 1 . 2]"
3 3 DT 0.000 0.000 . 0 "[ . 1 . 2]"
3 4 DA 0.000 0.000 . 0 "[ . 1 . 2]"
3 5 DT 0.000 0.000 . 0 "[ . 1 . 2]"
3 6 DT 0.000 0.000 . 0 "[ . 1 . 2]"
3 7 DG 0.000 0.000 . 0 "[ . 1 . 2]"
3 8 DT 0.000 0.000 . 0 "[ . 1 . 2]"
3 9 DT 0.000 0.000 . 0 "[ . 1 . 2]"
3 10 DT 0.000 0.000 . 0 "[ . 1 . 2]"
3 11 DT 0.000 0.000 . 0 "[ . 1 . 2]"
3 12 DG 0.000 0.000 . 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 2 2 DA P 2 3 DA P 6.500 . 13.500 6.753 6.661 6.875 . 0 0 "[ . 1 . 2]" 1
2 3 2 DA P 3 3 DT P 6.500 . 13.500 6.754 6.715 6.804 . 0 0 "[ . 1 . 2]" 1
3 2 2 DA P 2 4 DA P 12.500 5.500 19.500 13.203 12.937 13.269 . 0 0 "[ . 1 . 2]" 1
4 3 2 DA P 3 4 DA P 12.500 5.500 19.500 13.079 13.022 13.159 . 0 0 "[ . 1 . 2]" 1
5 2 2 DA P 2 5 DA P 17.600 10.600 24.600 18.547 18.222 18.733 . 0 0 "[ . 1 . 2]" 1
6 3 2 DA P 3 5 DT P 17.600 10.600 24.600 18.725 18.527 18.887 . 0 0 "[ . 1 . 2]" 1
7 2 2 DA P 2 6 DC P 21.700 14.700 28.700 22.896 22.519 23.050 . 0 0 "[ . 1 . 2]" 1
8 3 2 DA P 3 6 DT P 21.700 14.700 28.700 21.093 20.790 21.512 . 0 0 "[ . 1 . 2]" 1
9 2 2 DA P 2 7 DA P 24.600 17.600 31.600 26.017 25.422 26.446 . 0 0 "[ . 1 . 2]" 1
10 3 2 DA P 3 7 DG P 24.600 17.600 31.600 24.618 24.235 25.240 . 0 0 "[ . 1 . 2]" 1
11 2 2 DA P 2 8 DA P 26.400 19.400 33.400 28.280 27.876 28.916 . 0 0 "[ . 1 . 2]" 1
12 3 2 DA P 3 8 DT P 26.400 19.400 33.400 27.922 27.272 28.766 . 0 0 "[ . 1 . 2]" 1
13 2 2 DA P 2 9 DT P 27.700 20.700 34.700 28.297 27.410 29.189 . 0 0 "[ . 1 . 2]" 1
14 3 2 DA P 3 9 DT P 27.700 20.700 34.700 30.236 29.269 31.440 . 0 0 "[ . 1 . 2]" 1
15 2 2 DA P 2 10 DA P 29.000 22.000 36.000 26.739 25.598 27.812 . 0 0 "[ . 1 . 2]" 1
16 3 2 DA P 3 10 DT P 29.000 22.000 36.000 31.674 30.536 33.715 . 0 0 "[ . 1 . 2]" 1
17 2 2 DA P 2 11 DT P 30.900 23.900 37.900 25.947 24.839 27.018 . 0 0 "[ . 1 . 2]" 1
18 3 2 DA P 3 11 DT P 30.900 23.900 37.900 32.485 31.125 35.614 . 0 0 "[ . 1 . 2]" 1
19 2 2 DA P 2 12 DT P 33.800 26.800 40.800 28.451 27.238 30.008 . 0 0 "[ . 1 . 2]" 1
20 3 2 DA P 3 12 DG P 33.800 26.800 40.800 33.903 32.795 37.447 . 0 0 "[ . 1 . 2]" 1
21 2 3 DA P 2 4 DA P 6.500 . 13.500 6.904 6.734 7.001 . 0 0 "[ . 1 . 2]" 1
22 3 3 DT P 3 4 DA P 6.500 . 13.500 6.759 6.695 6.836 . 0 0 "[ . 1 . 2]" 1
23 2 3 DA P 2 5 DA P 12.500 5.500 19.500 13.039 12.897 13.148 . 0 0 "[ . 1 . 2]" 1
24 3 3 DT P 3 5 DT P 12.500 5.500 19.500 13.283 13.202 13.361 . 0 0 "[ . 1 . 2]" 1
25 2 3 DA P 2 6 DC P 17.600 10.600 24.600 18.093 17.729 18.638 . 0 0 "[ . 1 . 2]" 1
26 3 3 DT P 3 6 DT P 17.600 10.600 24.600 17.333 17.067 17.569 . 0 0 "[ . 1 . 2]" 1
27 2 3 DA P 2 7 DA P 21.700 14.700 28.700 22.351 21.831 23.150 . 0 0 "[ . 1 . 2]" 1
28 3 3 DT P 3 7 DG P 21.700 14.700 28.700 21.847 21.597 22.123 . 0 0 "[ . 1 . 2]" 1
29 2 3 DA P 2 8 DA P 24.600 17.600 31.600 25.207 24.818 26.344 . 0 0 "[ . 1 . 2]" 1
30 3 3 DT P 3 8 DT P 24.600 17.600 31.600 25.632 25.313 25.987 . 0 0 "[ . 1 . 2]" 1
31 2 3 DA P 2 9 DT P 26.400 19.400 33.400 25.769 24.927 27.317 . 0 0 "[ . 1 . 2]" 1
32 3 3 DT P 3 9 DT P 26.400 19.400 33.400 27.772 27.361 28.329 . 0 0 "[ . 1 . 2]" 1
33 2 3 DA P 2 10 DA P 27.700 20.700 34.700 24.404 23.274 26.258 . 0 0 "[ . 1 . 2]" 1
34 3 3 DT P 3 10 DT P 27.700 20.700 34.700 28.646 27.868 30.022 . 0 0 "[ . 1 . 2]" 1
35 2 3 DA P 2 11 DT P 29.000 22.000 36.000 23.307 22.094 24.853 . 0 0 "[ . 1 . 2]" 1
36 3 3 DT P 3 11 DT P 29.000 22.000 36.000 28.571 27.590 31.125 . 0 0 "[ . 1 . 2]" 1
37 2 3 DA P 2 12 DT P 30.900 23.900 37.900 24.800 23.907 26.235 . 0 0 "[ . 1 . 2]" 1
38 3 3 DT P 3 12 DG P 30.900 23.900 37.900 28.924 27.739 32.112 . 0 0 "[ . 1 . 2]" 1
39 2 4 DA P 2 5 DA P 6.500 . 13.500 6.743 6.574 6.823 . 0 0 "[ . 1 . 2]" 1
40 3 4 DA P 3 5 DT P 6.500 . 13.500 7.022 6.945 7.102 . 0 0 "[ . 1 . 2]" 1
41 2 4 DA P 2 6 DC P 12.500 5.500 19.500 12.688 12.434 12.876 . 0 0 "[ . 1 . 2]" 1
42 3 4 DA P 3 6 DT P 12.500 5.500 19.500 12.514 12.366 12.664 . 0 0 "[ . 1 . 2]" 1
43 2 4 DA P 2 7 DA P 17.600 10.600 24.600 18.330 17.918 18.576 . 0 0 "[ . 1 . 2]" 1
44 3 4 DA P 3 7 DG P 17.600 10.600 24.600 17.769 17.560 17.999 . 0 0 "[ . 1 . 2]" 1
45 2 4 DA P 2 8 DA P 21.700 14.700 28.700 22.390 22.088 22.874 . 0 0 "[ . 1 . 2]" 1
46 3 4 DA P 3 8 DT P 21.700 14.700 28.700 22.082 21.780 22.326 . 0 0 "[ . 1 . 2]" 1
47 2 4 DA P 2 9 DT P 24.600 17.600 31.600 24.345 23.668 25.051 . 0 0 "[ . 1 . 2]" 1
48 3 4 DA P 3 9 DT P 24.600 17.600 31.600 24.431 23.919 24.852 . 0 0 "[ . 1 . 2]" 1
49 2 4 DA P 2 10 DA P 26.400 19.400 33.400 24.183 23.212 25.058 . 0 0 "[ . 1 . 2]" 1
50 3 4 DA P 3 10 DT P 26.400 19.400 33.400 25.325 24.416 26.321 . 0 0 "[ . 1 . 2]" 1
51 2 4 DA P 2 11 DT P 27.700 20.700 34.700 23.769 22.569 24.783 . 0 0 "[ . 1 . 2]" 1
52 3 4 DA P 3 11 DT P 27.700 20.700 34.700 24.952 23.938 27.073 . 0 0 "[ . 1 . 2]" 1
53 2 4 DA P 2 12 DT P 29.000 22.000 36.000 24.626 23.478 25.680 . 0 0 "[ . 1 . 2]" 1
54 3 4 DA P 3 12 DG P 29.000 22.000 36.000 24.513 23.270 27.432 . 0 0 "[ . 1 . 2]" 1
55 2 5 DA P 2 6 DC P 6.500 . 13.500 6.566 6.464 6.736 . 0 0 "[ . 1 . 2]" 1
56 3 5 DT P 3 6 DT P 6.500 . 13.500 6.931 6.876 6.976 . 0 0 "[ . 1 . 2]" 1
57 2 5 DA P 2 7 DA P 12.500 5.500 19.500 13.142 12.843 13.511 . 0 0 "[ . 1 . 2]" 1
58 3 5 DT P 3 7 DG P 12.500 5.500 19.500 13.022 12.814 13.132 . 0 0 "[ . 1 . 2]" 1
59 2 5 DA P 2 8 DA P 17.600 10.600 24.600 18.452 17.995 18.951 . 0 0 "[ . 1 . 2]" 1
60 3 5 DT P 3 8 DT P 17.600 10.600 24.600 18.336 18.127 18.545 . 0 0 "[ . 1 . 2]" 1
61 2 5 DA P 2 9 DT P 21.700 14.700 28.700 22.068 21.548 22.603 . 0 0 "[ . 1 . 2]" 1
62 3 5 DT P 3 9 DT P 21.700 14.700 28.700 21.735 21.416 22.102 . 0 0 "[ . 1 . 2]" 1
63 2 5 DA P 2 10 DA P 24.600 17.600 31.600 23.665 23.080 24.443 . 0 0 "[ . 1 . 2]" 1
64 3 5 DT P 3 10 DT P 24.600 17.600 31.600 23.653 23.082 24.551 . 0 0 "[ . 1 . 2]" 1
65 2 5 DA P 2 11 DT P 26.400 19.400 33.400 24.748 24.032 25.976 . 0 0 "[ . 1 . 2]" 1
66 3 5 DT P 3 11 DT P 26.400 19.400 33.400 23.981 23.252 25.775 . 0 0 "[ . 1 . 2]" 1
67 2 5 DA P 2 12 DT P 27.700 20.700 34.700 25.953 25.004 27.220 . 0 0 "[ . 1 . 2]" 1
68 3 5 DT P 3 12 DG P 27.700 20.700 34.700 23.427 22.339 25.999 . 0 0 "[ . 1 . 2]" 1
69 2 6 DC P 2 7 DA P 6.500 . 13.500 7.048 6.811 7.293 . 0 0 "[ . 1 . 2]" 1
70 3 6 DT P 3 7 DG P 6.500 . 13.500 6.811 6.758 6.878 . 0 0 "[ . 1 . 2]" 1
71 2 6 DC P 2 8 DA P 12.500 5.500 19.500 13.018 12.426 13.428 . 0 0 "[ . 1 . 2]" 1
72 3 6 DT P 3 8 DT P 12.500 5.500 19.500 13.227 13.083 13.336 . 0 0 "[ . 1 . 2]" 1
73 2 6 DC P 2 9 DT P 17.600 10.600 24.600 17.929 17.321 18.327 . 0 0 "[ . 1 . 2]" 1
74 3 6 DT P 3 9 DT P 17.600 10.600 24.600 18.267 18.129 18.479 . 0 0 "[ . 1 . 2]" 1
75 2 6 DC P 2 10 DA P 21.700 14.700 28.700 21.149 20.565 21.639 . 0 0 "[ . 1 . 2]" 1
76 3 6 DT P 3 10 DT P 21.700 14.700 28.700 22.071 21.726 22.657 . 0 0 "[ . 1 . 2]" 1
77 2 6 DC P 2 11 DT P 24.600 17.600 31.600 23.782 23.131 24.542 . 0 0 "[ . 1 . 2]" 1
78 3 6 DT P 3 11 DT P 24.600 17.600 31.600 24.277 23.675 25.394 . 0 0 "[ . 1 . 2]" 1
79 2 6 DC P 2 12 DT P 26.400 19.400 33.400 25.708 24.554 26.489 . 0 0 "[ . 1 . 2]" 1
80 3 6 DT P 3 12 DG P 26.400 19.400 33.400 25.221 24.611 26.933 . 0 0 "[ . 1 . 2]" 1
81 2 7 DA P 2 8 DA P 6.500 . 13.500 6.889 6.758 6.967 . 0 0 "[ . 1 . 2]" 1
82 3 7 DG P 3 8 DT P 6.500 . 13.500 6.865 6.796 6.935 . 0 0 "[ . 1 . 2]" 1
83 2 7 DA P 2 9 DT P 12.500 5.500 19.500 13.167 12.935 13.349 . 0 0 "[ . 1 . 2]" 1
84 3 7 DG P 3 9 DT P 12.500 5.500 19.500 12.987 12.812 13.059 . 0 0 "[ . 1 . 2]" 1
85 2 7 DA P 2 10 DA P 17.600 10.600 24.600 18.207 17.903 18.477 . 0 0 "[ . 1 . 2]" 1
86 3 7 DG P 3 10 DT P 17.600 10.600 24.600 18.260 18.010 18.515 . 0 0 "[ . 1 . 2]" 1
87 2 7 DA P 2 11 DT P 21.700 14.700 28.700 22.661 22.084 22.946 . 0 0 "[ . 1 . 2]" 1
88 3 7 DG P 3 11 DT P 21.700 14.700 28.700 22.122 21.746 22.675 . 0 0 "[ . 1 . 2]" 1
89 2 7 DA P 2 12 DT P 24.600 17.600 31.600 25.877 25.216 26.419 . 0 0 "[ . 1 . 2]" 1
90 3 7 DG P 3 12 DG P 24.600 17.600 31.600 24.609 23.996 25.579 . 0 0 "[ . 1 . 2]" 1
91 2 8 DA P 2 9 DT P 6.500 . 13.500 6.960 6.914 7.033 . 0 0 "[ . 1 . 2]" 1
92 3 8 DT P 3 9 DT P 6.500 . 13.500 6.860 6.770 6.924 . 0 0 "[ . 1 . 2]" 1
93 2 8 DA P 2 10 DA P 12.500 5.500 19.500 13.201 13.070 13.402 . 0 0 "[ . 1 . 2]" 1
94 3 8 DT P 3 10 DT P 12.500 5.500 19.500 13.299 13.222 13.445 . 0 0 "[ . 1 . 2]" 1
95 2 8 DA P 2 11 DT P 17.600 10.600 24.600 18.888 18.662 19.165 . 0 0 "[ . 1 . 2]" 1
96 3 8 DT P 3 11 DT P 17.600 10.600 24.600 18.641 18.536 18.778 . 0 0 "[ . 1 . 2]" 1
97 2 8 DA P 2 12 DT P 21.700 14.700 28.700 22.982 22.632 23.402 . 0 0 "[ . 1 . 2]" 1
98 3 8 DT P 3 12 DG P 21.700 14.700 28.700 22.699 22.412 23.011 . 0 0 "[ . 1 . 2]" 1
99 2 9 DT P 2 10 DA P 6.500 . 13.500 6.887 6.799 7.077 . 0 0 "[ . 1 . 2]" 1
100 3 9 DT P 3 10 DT P 6.500 . 13.500 6.941 6.786 7.071 . 0 0 "[ . 1 . 2]" 1
101 2 9 DT P 2 11 DT P 12.500 5.500 19.500 13.411 13.236 13.567 . 0 0 "[ . 1 . 2]" 1
102 3 9 DT P 3 11 DT P 12.500 5.500 19.500 13.236 13.082 13.319 . 0 0 "[ . 1 . 2]" 1
103 2 9 DT P 2 12 DT P 17.600 10.600 24.600 18.442 18.319 18.651 . 0 0 "[ . 1 . 2]" 1
104 3 9 DT P 3 12 DG P 17.600 10.600 24.600 18.571 18.391 18.699 . 0 0 "[ . 1 . 2]" 1
105 2 10 DA P 2 11 DT P 6.500 . 13.500 6.860 6.721 6.965 . 0 0 "[ . 1 . 2]" 1
106 3 10 DT P 3 11 DT P 6.500 . 13.500 6.830 6.725 6.908 . 0 0 "[ . 1 . 2]" 1
107 2 10 DA P 2 12 DT P 12.500 5.500 19.500 12.743 12.646 12.925 . 0 0 "[ . 1 . 2]" 1
108 3 10 DT P 3 12 DG P 12.500 5.500 19.500 13.181 12.963 13.341 . 0 0 "[ . 1 . 2]" 1
109 2 11 DT P 2 12 DT P 6.500 . 13.500 6.685 6.543 6.791 . 0 0 "[ . 1 . 2]" 1
110 3 11 DT P 3 12 DG P 6.500 . 13.500 6.953 6.749 7.103 . 0 0 "[ . 1 . 2]" 1
111 2 2 DA P 3 2 DA P 38.700 31.700 45.700 37.765 37.315 38.240 . 0 0 "[ . 1 . 2]" 1
112 2 2 DA P 3 3 DT P 34.750 27.750 41.750 32.570 32.055 33.331 . 0 0 "[ . 1 . 2]" 1
113 2 2 DA P 3 4 DA P 30.200 23.200 37.200 26.260 25.710 27.156 . 0 0 "[ . 1 . 2]" 1
114 2 2 DA P 3 5 DT P 25.430 18.430 32.430 20.515 19.690 21.641 . 0 0 "[ . 1 . 2]" 1
115 2 2 DA P 3 6 DT P 21.120 14.120 28.120 19.112 18.368 19.911 . 0 0 "[ . 1 . 2]" 1
116 2 2 DA P 3 7 DG P 18.120 11.120 25.120 17.969 17.317 18.675 . 0 0 "[ . 1 . 2]" 1
117 2 2 DA P 3 8 DT P 16.960 9.960 23.960 18.345 17.865 19.066 . 0 0 "[ . 1 . 2]" 1
118 2 2 DA P 3 9 DT P 17.290 10.290 24.290 18.958 18.362 19.421 . 0 0 "[ . 1 . 2]" 1
119 2 2 DA P 3 10 DT P 18.030 11.030 25.030 19.798 19.209 20.285 . 0 0 "[ . 1 . 2]" 1
120 2 2 DA P 3 11 DT P 18.230 11.230 25.230 19.966 19.349 20.311 . 0 0 "[ . 1 . 2]" 1
121 2 2 DA P 3 12 DG P 17.390 10.390 24.390 18.523 17.940 18.796 . 0 0 "[ . 1 . 2]" 1
122 2 3 DA P 3 2 DA P 34.750 27.750 41.750 32.427 31.771 33.354 . 0 0 "[ . 1 . 2]" 1
123 2 3 DA P 3 3 DT P 30.200 23.200 37.200 26.772 26.017 27.598 . 0 0 "[ . 1 . 2]" 1
124 2 3 DA P 3 4 DA P 25.430 18.430 32.430 20.308 19.488 21.247 . 0 0 "[ . 1 . 2]" 1
125 2 3 DA P 3 5 DT P 21.120 14.120 28.120 15.105 14.191 16.225 . 0 0 "[ . 1 . 2]" 1
126 2 3 DA P 3 6 DT P 18.120 11.120 25.120 15.648 14.862 16.810 . 0 0 "[ . 1 . 2]" 1
127 2 3 DA P 3 7 DG P 16.960 9.960 23.960 16.490 15.739 17.929 . 0 0 "[ . 1 . 2]" 1
128 2 3 DA P 3 8 DT P 17.290 10.290 24.290 18.177 17.652 19.576 . 0 0 "[ . 1 . 2]" 1
129 2 3 DA P 3 9 DT P 18.030 11.030 25.030 18.924 18.466 20.129 . 0 0 "[ . 1 . 2]" 1
130 2 3 DA P 3 10 DT P 18.230 11.230 25.230 19.045 18.799 19.853 . 0 0 "[ . 1 . 2]" 1
131 2 3 DA P 3 11 DT P 17.390 10.390 24.390 18.056 17.872 18.500 . 0 0 "[ . 1 . 2]" 1
132 2 3 DA P 3 12 DG P 15.530 8.530 22.530 15.633 15.338 16.042 . 0 0 "[ . 1 . 2]" 1
133 2 4 DA P 3 2 DA P 30.200 23.200 37.200 28.264 27.412 29.108 . 0 0 "[ . 1 . 2]" 1
134 2 4 DA P 3 3 DT P 25.430 18.430 32.430 22.297 21.429 23.078 . 0 0 "[ . 1 . 2]" 1
135 2 4 DA P 3 4 DA P 21.120 14.120 28.120 16.197 15.312 17.072 . 0 0 "[ . 1 . 2]" 1
136 2 4 DA P 3 5 DT P 18.120 11.120 25.120 13.152 12.307 14.035 . 0 0 "[ . 1 . 2]" 1
137 2 4 DA P 3 6 DT P 16.960 9.960 23.960 16.041 15.120 16.741 . 0 0 "[ . 1 . 2]" 1
138 2 4 DA P 3 7 DG P 17.290 10.290 24.290 17.962 17.262 18.536 . 0 0 "[ . 1 . 2]" 1
139 2 4 DA P 3 8 DT P 18.030 11.030 25.030 19.532 19.188 19.979 . 0 0 "[ . 1 . 2]" 1
140 2 4 DA P 3 9 DT P 18.230 11.230 25.230 19.248 19.033 19.549 . 0 0 "[ . 1 . 2]" 1
141 2 4 DA P 3 10 DT P 17.390 10.390 24.390 17.831 17.535 18.408 . 0 0 "[ . 1 . 2]" 1
142 2 4 DA P 3 11 DT P 15.530 8.530 22.530 15.263 14.749 16.385 . 0 0 "[ . 1 . 2]" 1
143 2 4 DA P 3 12 DG P 13.170 6.170 20.170 11.986 11.189 13.962 . 0 0 "[ . 1 . 2]" 1
144 2 5 DA P 3 2 DA P 25.430 18.430 32.430 25.137 24.308 26.087 . 0 0 "[ . 1 . 2]" 1
145 2 5 DA P 3 3 DT P 21.120 14.120 28.120 19.668 18.896 20.864 . 0 0 "[ . 1 . 2]" 1
146 2 5 DA P 3 4 DA P 18.120 11.120 25.120 14.974 14.241 16.219 . 0 0 "[ . 1 . 2]" 1
147 2 5 DA P 3 5 DT P 16.960 9.960 23.960 14.663 13.970 15.833 . 0 0 "[ . 1 . 2]" 1
148 2 5 DA P 3 6 DT P 17.290 10.290 24.290 17.877 17.228 18.833 . 0 0 "[ . 1 . 2]" 1
149 2 5 DA P 3 7 DG P 18.030 11.030 25.030 19.264 18.679 19.833 . 0 0 "[ . 1 . 2]" 1
150 2 5 DA P 3 8 DT P 18.230 11.230 25.230 19.696 19.287 20.026 . 0 0 "[ . 1 . 2]" 1
151 2 5 DA P 3 9 DT P 17.390 10.390 24.390 18.038 17.832 18.392 . 0 0 "[ . 1 . 2]" 1
152 2 5 DA P 3 10 DT P 15.530 8.530 22.530 15.239 14.672 16.260 . 0 0 "[ . 1 . 2]" 1
153 2 5 DA P 3 11 DT P 13.170 6.170 20.170 11.808 11.067 14.298 . 0 0 "[ . 1 . 2]" 1
154 2 5 DA P 3 12 DG P 11.700 4.700 18.700 9.594 8.486 13.326 . 0 0 "[ . 1 . 2]" 1
155 2 6 DC P 3 2 DA P 21.120 14.120 28.120 21.650 20.734 22.635 . 0 0 "[ . 1 . 2]" 1
156 2 6 DC P 3 3 DT P 18.120 11.120 25.120 17.474 16.739 18.310 . 0 0 "[ . 1 . 2]" 1
157 2 6 DC P 3 4 DA P 16.960 9.960 23.960 14.705 13.814 15.471 . 0 0 "[ . 1 . 2]" 1
158 2 6 DC P 3 5 DT P 17.290 10.290 24.290 16.128 15.460 16.769 . 0 0 "[ . 1 . 2]" 1
159 2 6 DC P 3 6 DT P 18.030 11.030 25.030 18.390 17.867 18.926 . 0 0 "[ . 1 . 2]" 1
160 2 6 DC P 3 7 DG P 18.230 11.230 25.230 18.856 18.494 19.281 . 0 0 "[ . 1 . 2]" 1
161 2 6 DC P 3 8 DT P 17.390 10.390 24.390 18.333 18.114 18.541 . 0 0 "[ . 1 . 2]" 1
162 2 6 DC P 3 9 DT P 15.530 8.530 22.530 16.106 15.757 16.521 . 0 0 "[ . 1 . 2]" 1
163 2 6 DC P 3 10 DT P 13.170 6.170 20.170 13.355 12.586 14.994 . 0 0 "[ . 1 . 2]" 1
164 2 6 DC P 3 11 DT P 11.700 4.700 18.700 11.365 10.637 14.560 . 0 0 "[ . 1 . 2]" 1
165 2 6 DC P 3 12 DG P 12.840 5.840 19.840 12.600 11.226 16.121 . 0 0 "[ . 1 . 2]" 1
166 2 7 DA P 3 2 DA P 18.120 11.120 25.120 20.749 19.871 21.745 . 0 0 "[ . 1 . 2]" 1
167 2 7 DA P 3 3 DT P 16.960 9.960 23.960 18.609 17.711 19.196 . 0 0 "[ . 1 . 2]" 1
168 2 7 DA P 3 4 DA P 17.290 10.290 24.290 17.488 16.510 18.234 . 0 0 "[ . 1 . 2]" 1
169 2 7 DA P 3 5 DT P 18.030 11.030 25.030 18.980 18.318 19.399 . 0 0 "[ . 1 . 2]" 1
170 2 7 DA P 3 6 DT P 18.230 11.230 25.230 19.182 18.771 19.528 . 0 0 "[ . 1 . 2]" 1
171 2 7 DA P 3 7 DG P 17.390 10.390 24.390 17.898 17.629 18.258 . 0 0 "[ . 1 . 2]" 1
172 2 7 DA P 3 8 DT P 15.530 8.530 22.530 15.930 15.560 16.200 . 0 0 "[ . 1 . 2]" 1
173 2 7 DA P 3 9 DT P 13.170 6.170 20.170 13.366 12.513 14.220 . 0 0 "[ . 1 . 2]" 1
174 2 7 DA P 3 10 DT P 11.700 4.700 18.700 11.922 10.550 13.154 . 0 0 "[ . 1 . 2]" 1
175 2 7 DA P 3 11 DT P 12.840 5.840 19.840 13.125 12.131 15.346 . 0 0 "[ . 1 . 2]" 1
176 2 7 DA P 3 12 DG P 16.600 9.600 23.600 17.295 16.701 19.431 . 0 0 "[ . 1 . 2]" 1
177 2 8 DA P 3 2 DA P 16.960 9.960 23.960 18.748 17.861 19.892 . 0 0 "[ . 1 . 2]" 1
178 2 8 DA P 3 3 DT P 17.290 10.290 24.290 18.358 17.837 19.009 . 0 0 "[ . 1 . 2]" 1
179 2 8 DA P 3 4 DA P 18.030 11.030 25.030 18.260 17.865 18.693 . 0 0 "[ . 1 . 2]" 1
180 2 8 DA P 3 5 DT P 18.230 11.230 25.230 19.382 19.218 19.740 . 0 0 "[ . 1 . 2]" 1
181 2 8 DA P 3 6 DT P 17.390 10.390 24.390 17.779 17.580 17.994 . 0 0 "[ . 1 . 2]" 1
182 2 8 DA P 3 7 DG P 15.530 8.530 22.530 15.644 15.414 15.979 . 0 0 "[ . 1 . 2]" 1
183 2 8 DA P 3 8 DT P 13.170 6.170 20.170 13.873 13.436 14.353 . 0 0 "[ . 1 . 2]" 1
184 2 8 DA P 3 9 DT P 11.700 4.700 18.700 13.440 12.835 14.137 . 0 0 "[ . 1 . 2]" 1
185 2 8 DA P 3 10 DT P 12.840 5.840 19.840 15.200 14.284 16.395 . 0 0 "[ . 1 . 2]" 1
186 2 8 DA P 3 11 DT P 16.600 9.600 23.600 18.657 18.022 20.493 . 0 0 "[ . 1 . 2]" 1
187 2 8 DA P 3 12 DG P 21.560 14.560 28.560 23.327 22.769 25.180 . 0 0 "[ . 1 . 2]" 1
188 2 9 DT P 3 2 DA P 17.290 10.290 24.290 18.520 17.753 19.378 . 0 0 "[ . 1 . 2]" 1
189 2 9 DT P 3 3 DT P 18.030 11.030 25.030 18.788 18.317 19.288 . 0 0 "[ . 1 . 2]" 1
190 2 9 DT P 3 4 DA P 18.230 11.230 25.230 18.502 18.120 18.879 . 0 0 "[ . 1 . 2]" 1
191 2 9 DT P 3 5 DT P 17.390 10.390 24.390 18.287 18.085 18.479 . 0 0 "[ . 1 . 2]" 1
192 2 9 DT P 3 6 DT P 15.530 8.530 22.530 14.752 14.530 14.999 . 0 0 "[ . 1 . 2]" 1
193 2 9 DT P 3 7 DG P 13.170 6.170 20.170 12.141 11.728 12.736 . 0 0 "[ . 1 . 2]" 1
194 2 9 DT P 3 8 DT P 11.700 4.700 18.700 11.947 11.409 12.752 . 0 0 "[ . 1 . 2]" 1
195 2 9 DT P 3 9 DT P 12.840 5.840 19.840 14.789 14.084 15.652 . 0 0 "[ . 1 . 2]" 1
196 2 9 DT P 3 10 DT P 16.600 9.600 23.600 19.066 18.405 20.320 . 0 0 "[ . 1 . 2]" 1
197 2 9 DT P 3 11 DT P 21.560 14.560 28.560 23.460 22.719 25.217 . 0 0 "[ . 1 . 2]" 1
198 2 9 DT P 3 12 DG P 26.520 19.520 33.520 27.767 27.183 29.682 . 0 0 "[ . 1 . 2]" 1
199 2 10 DA P 3 2 DA P 18.030 11.030 25.030 19.233 18.730 19.845 . 0 0 "[ . 1 . 2]" 1
200 2 10 DA P 3 3 DT P 18.230 11.230 25.230 18.876 18.586 19.319 . 0 0 "[ . 1 . 2]" 1
201 2 10 DA P 3 4 DA P 17.390 10.390 24.390 17.569 17.225 17.895 . 0 0 "[ . 1 . 2]" 1
202 2 10 DA P 3 5 DT P 15.530 8.530 22.530 15.633 15.139 15.950 . 0 0 "[ . 1 . 2]" 1
203 2 10 DA P 3 6 DT P 13.170 6.170 20.170 10.586 10.089 11.062 . 0 0 "[ . 1 . 2]" 1
204 2 10 DA P 3 7 DG P 11.700 4.700 18.700 8.910 8.344 9.688 . 0 0 "[ . 1 . 2]" 1
205 2 10 DA P 3 8 DT P 12.840 5.840 19.840 12.132 11.378 13.076 . 0 0 "[ . 1 . 2]" 1
206 2 10 DA P 3 9 DT P 16.600 9.600 23.600 17.510 16.858 18.486 . 0 0 "[ . 1 . 2]" 1
207 2 10 DA P 3 10 DT P 21.560 14.560 28.560 22.731 22.208 23.959 . 0 0 "[ . 1 . 2]" 1
208 2 10 DA P 3 11 DT P 26.520 19.520 33.520 26.933 26.253 28.672 . 0 0 "[ . 1 . 2]" 1
209 2 10 DA P 3 12 DG P 30.950 23.950 37.950 30.222 29.598 32.301 . 0 0 "[ . 1 . 2]" 1
210 2 11 DT P 3 2 DA P 18.230 11.230 25.230 20.004 19.828 20.226 . 0 0 "[ . 1 . 2]" 1
211 2 11 DT P 3 3 DT P 17.390 10.390 24.390 18.619 18.458 18.738 . 0 0 "[ . 1 . 2]" 1
212 2 11 DT P 3 4 DA P 15.530 8.530 22.530 16.301 15.881 16.544 . 0 0 "[ . 1 . 2]" 1
213 2 11 DT P 3 5 DT P 13.170 6.170 20.170 12.983 12.125 13.468 . 0 0 "[ . 1 . 2]" 1
214 2 11 DT P 3 6 DT P 11.700 4.700 18.700 7.862 7.224 8.246 . 0 0 "[ . 1 . 2]" 1
215 2 11 DT P 3 7 DG P 12.840 5.840 19.840 9.803 9.178 10.310 . 0 0 "[ . 1 . 2]" 1
216 2 11 DT P 3 8 DT P 16.600 9.600 23.600 15.761 15.138 16.286 . 0 0 "[ . 1 . 2]" 1
217 2 11 DT P 3 9 DT P 21.560 14.560 28.560 21.838 21.320 22.449 . 0 0 "[ . 1 . 2]" 1
218 2 11 DT P 3 10 DT P 26.520 19.520 33.520 26.834 26.356 27.741 . 0 0 "[ . 1 . 2]" 1
219 2 11 DT P 3 11 DT P 30.950 23.950 37.950 30.186 29.415 31.700 . 0 0 "[ . 1 . 2]" 1
220 2 11 DT P 3 12 DG P 34.550 27.550 41.550 32.163 31.362 34.185 . 0 0 "[ . 1 . 2]" 1
221 2 12 DT P 3 2 DA P 17.390 10.390 24.390 18.439 18.275 18.709 . 0 0 "[ . 1 . 2]" 1
222 2 12 DT P 3 3 DT P 15.530 8.530 22.530 16.529 16.111 16.961 . 0 0 "[ . 1 . 2]" 1
223 2 12 DT P 3 4 DA P 13.170 6.170 20.170 14.430 13.596 15.103 . 0 0 "[ . 1 . 2]" 1
224 2 12 DT P 3 5 DT P 11.700 4.700 18.700 11.917 10.739 12.676 . 0 0 "[ . 1 . 2]" 1
225 2 12 DT P 3 6 DT P 12.840 5.840 19.840 10.124 9.575 10.899 . 0 0 "[ . 1 . 2]" 1
226 2 12 DT P 3 7 DG P 16.600 9.600 23.600 15.071 14.639 15.624 . 0 0 "[ . 1 . 2]" 1
227 2 12 DT P 3 8 DT P 21.560 14.560 28.560 21.533 21.084 21.949 . 0 0 "[ . 1 . 2]" 1
228 2 12 DT P 3 9 DT P 26.520 19.520 33.520 27.155 26.825 27.667 . 0 0 "[ . 1 . 2]" 1
229 2 12 DT P 3 10 DT P 30.950 23.950 37.950 31.294 30.665 32.236 . 0 0 "[ . 1 . 2]" 1
230 2 12 DT P 3 11 DT P 34.550 27.550 41.550 33.545 32.526 35.261 . 0 0 "[ . 1 . 2]" 1
231 2 12 DT P 3 12 DG P 37.310 30.310 44.310 34.397 33.325 36.746 . 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 8
_Distance_constraint_stats_list.Viol_count 22
_Distance_constraint_stats_list.Viol_total 3.640
_Distance_constraint_stats_list.Viol_max 0.031
_Distance_constraint_stats_list.Viol_rms 0.0039
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.0083
_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 56 ALA 0.182 0.031 17 0 "[ . 1 . 2]"
2 6 DC 0.000 0.000 . 0 "[ . 1 . 2]"
2 7 DA 0.086 0.031 17 0 "[ . 1 . 2]"
2 8 DA 0.096 0.021 18 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 56 ALA MB 2 7 DA H5'' 5.500 . 5.500 4.665 3.931 5.078 . 0 0 "[ . 1 . 2]" 2
2 1 56 ALA MB 2 7 DA H1' 5.500 . 5.500 5.488 5.436 5.531 0.031 17 0 "[ . 1 . 2]" 2
3 1 56 ALA MB 2 8 DA H5' 6.500 . 6.500 6.495 6.409 6.521 0.021 18 0 "[ . 1 . 2]" 2
4 1 56 ALA MB 2 7 DA H2'' 5.500 . 5.500 3.982 3.832 4.136 . 0 0 "[ . 1 . 2]" 2
5 1 56 ALA MB 2 7 DA H3' 5.500 . 5.500 3.198 2.870 3.440 . 0 0 "[ . 1 . 2]" 2
6 1 56 ALA MB 2 7 DA H5' 5.500 . 5.500 5.179 4.629 5.489 . 0 0 "[ . 1 . 2]" 2
7 1 56 ALA MB 2 6 DC H3' 5.500 . 5.500 4.299 3.761 4.703 . 0 0 "[ . 1 . 2]" 2
8 1 56 ALA MB 2 6 DC H2'' 5.500 . 5.500 4.726 4.334 5.314 . 0 0 "[ . 1 . 2]" 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 50
_Distance_constraint_stats_list.Viol_count 220
_Distance_constraint_stats_list.Viol_total 244.707
_Distance_constraint_stats_list.Viol_max 0.353
_Distance_constraint_stats_list.Viol_rms 0.0372
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0122
_Distance_constraint_stats_list.Viol_average_violations_only 0.0556
_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 LYS 2.029 0.220 14 0 "[ . 1 . 2]"
1 3 ALA 4.577 0.353 10 0 "[ . 1 . 2]"
1 4 GLN 0.918 0.120 19 0 "[ . 1 . 2]"
1 6 THR 1.193 0.171 14 0 "[ . 1 . 2]"
1 32 THR 0.004 0.003 5 0 "[ . 1 . 2]"
1 49 LEU 0.413 0.050 13 0 "[ . 1 . 2]"
1 53 THR 0.098 0.015 3 0 "[ . 1 . 2]"
1 62 ILE 2.794 0.154 18 0 "[ . 1 . 2]"
1 66 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 VAL 0.210 0.032 15 0 "[ . 1 . 2]"
2 4 DA 0.027 0.014 20 0 "[ . 1 . 2]"
2 5 DA 4.119 0.353 10 0 "[ . 1 . 2]"
2 6 DC 0.803 0.123 9 0 "[ . 1 . 2]"
2 7 DA 1.016 0.120 19 0 "[ . 1 . 2]"
3 2 DA 0.004 0.003 5 0 "[ . 1 . 2]"
3 3 DT 0.197 0.027 14 0 "[ . 1 . 2]"
3 4 DA 0.485 0.071 9 0 "[ . 1 . 2]"
3 5 DT 2.077 0.154 18 0 "[ . 1 . 2]"
3 6 DT 0.036 0.021 16 0 "[ . 1 . 2]"
3 10 DT 3.289 0.182 1 0 "[ . 1 . 2]"
3 11 DT 0.209 0.171 14 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 62 ILE MG 3 5 DT M7 5.500 . 5.500 2.244 2.061 2.506 . 0 0 "[ . 1 . 2]" 3
2 1 62 ILE MD 3 5 DT M7 5.500 . 5.500 4.148 3.854 4.380 . 0 0 "[ . 1 . 2]" 3
3 1 62 ILE MG 3 6 DT M7 5.500 . 5.500 5.466 5.359 5.521 0.021 16 0 "[ . 1 . 2]" 3
4 1 62 ILE MG 3 4 DA H3' 5.500 . 5.500 5.146 4.976 5.393 . 0 0 "[ . 1 . 2]" 3
5 1 62 ILE MG 3 4 DA H5' 5.500 . 5.500 5.524 5.501 5.571 0.071 9 0 "[ . 1 . 2]" 3
6 1 62 ILE MD 3 3 DT H5' 5.500 . 5.500 5.464 5.265 5.527 0.027 14 0 "[ . 1 . 2]" 3
7 1 62 ILE MG 3 3 DT H2' 6.500 . 6.500 3.754 3.620 3.854 . 0 0 "[ . 1 . 2]" 3
8 1 62 ILE MG 3 3 DT M7 5.500 . 5.500 5.391 5.176 5.527 0.027 17 0 "[ . 1 . 2]" 3
9 1 62 ILE MD 3 4 DA H3' 6.500 . 6.500 5.822 5.593 6.235 . 0 0 "[ . 1 . 2]" 3
10 1 62 ILE MD 3 3 DT H3' 5.500 . 5.500 2.843 2.517 3.144 . 0 0 "[ . 1 . 2]" 3
11 1 62 ILE MD 3 5 DT H1' 7.000 . 7.000 7.104 7.065 7.154 0.154 18 0 "[ . 1 . 2]" 3
12 1 62 ILE MD 3 4 DA H1' 6.500 . 6.500 5.686 5.543 5.882 . 0 0 "[ . 1 . 2]" 3
13 1 62 ILE MD 3 3 DT H6 5.500 . 5.500 3.172 2.910 3.368 . 0 0 "[ . 1 . 2]" 3
14 1 66 ARG QD 3 5 DT M7 5.500 . 5.500 2.341 2.043 2.955 . 0 0 "[ . 1 . 2]" 3
15 1 53 THR MG 2 7 DA H3' 5.500 . 5.500 4.117 3.707 4.465 . 0 0 "[ . 1 . 2]" 3
16 1 53 THR MG 2 7 DA H5'' 5.500 . 5.500 5.455 5.174 5.515 0.015 3 0 "[ . 1 . 2]" 3
17 1 67 VAL MG2 2 5 DA H5' 5.500 . 5.500 5.369 4.659 5.532 0.032 15 0 "[ . 1 . 2]" 3
18 1 67 VAL MG2 2 4 DA H5'' 5.500 2.800 5.500 4.576 4.042 4.956 . 0 0 "[ . 1 . 2]" 3
19 1 67 VAL MG2 2 5 DA H3' 5.500 2.800 5.500 4.795 4.328 5.525 0.025 20 0 "[ . 1 . 2]" 3
20 1 67 VAL MG2 2 4 DA H3' 5.500 2.800 5.500 3.257 2.786 3.814 0.014 20 0 "[ . 1 . 2]" 3
21 1 32 THR MG 3 2 DA H5' 6.500 . 6.500 5.924 4.943 6.503 0.003 5 0 "[ . 1 . 2]" 3
22 1 32 THR MG 3 2 DA H5'' 6.500 . 6.500 4.710 3.788 5.473 . 0 0 "[ . 1 . 2]" 3
23 1 32 THR MG 3 2 DA H3' 6.500 . 6.500 4.470 3.745 5.588 . 0 0 "[ . 1 . 2]" 3
24 1 49 LEU MD1 2 6 DC H5' 4.500 . 4.500 4.519 4.500 4.550 0.050 13 0 "[ . 1 . 2]" 3
25 1 49 LEU MD1 2 6 DC H4' 5.500 . 5.500 5.397 5.081 5.515 0.015 17 0 "[ . 1 . 2]" 3
26 1 2 LYS QG 3 10 DT H5' 5.500 . 5.500 3.746 2.878 5.145 . 0 0 "[ . 1 . 2]" 3
27 1 2 LYS QG 3 10 DT H5'' 5.500 . 5.500 4.392 3.899 5.458 . 0 0 "[ . 1 . 2]" 3
28 1 2 LYS QE 3 10 DT H5' 5.500 . 5.500 5.080 4.089 5.682 0.182 1 0 "[ . 1 . 2]" 3
29 1 2 LYS QE 3 11 DT H1' 5.500 . 5.500 4.352 3.367 5.539 0.039 14 0 "[ . 1 . 2]" 3
30 1 2 LYS QE 3 10 DT H1' 5.500 . 5.500 2.213 1.955 3.608 . 0 0 "[ . 1 . 2]" 3
31 1 2 LYS QE 2 5 DA H2 5.500 . 5.500 5.077 4.339 5.687 0.187 14 0 "[ . 1 . 2]" 3
32 1 2 LYS QE 3 10 DT M7 6.500 . 6.500 5.966 5.265 6.543 0.043 14 0 "[ . 1 . 2]" 3
33 1 2 LYS QE 3 10 DT H2'' 5.500 . 5.500 4.033 3.748 5.547 0.047 10 0 "[ . 1 . 2]" 3
34 1 2 LYS QE 2 5 DA H5'' 5.500 . 5.500 4.660 3.540 5.532 0.032 17 0 "[ . 1 . 2]" 3
35 1 2 LYS QE 2 5 DA H3' 6.500 . 6.500 5.871 4.592 6.709 0.209 14 0 "[ . 1 . 2]" 3
36 1 2 LYS QB 2 5 DA H5' 6.500 . 6.500 4.728 3.784 6.018 . 0 0 "[ . 1 . 2]" 3
37 1 2 LYS QB 2 5 DA H5'' 5.500 . 5.500 4.900 4.225 5.720 0.220 14 0 "[ . 1 . 2]" 3
38 1 3 ALA MB 3 10 DT H5' 5.000 . 5.000 3.504 2.382 4.912 . 0 0 "[ . 1 . 2]" 3
39 1 3 ALA MB 3 10 DT H5'' 5.000 . 5.000 3.852 3.448 4.561 . 0 0 "[ . 1 . 2]" 3
40 1 3 ALA MB 2 5 DA H1' 5.500 . 5.500 5.584 4.967 5.853 0.353 10 0 "[ . 1 . 2]" 3
41 1 3 ALA MB 3 10 DT H1' 5.500 . 6.500 5.950 4.489 6.557 0.057 7 0 "[ . 1 . 2]" 3
42 1 3 ALA MB 3 10 DT H3' 5.500 . 5.500 5.558 5.036 5.665 0.165 12 0 "[ . 1 . 2]" 3
43 1 4 GLN QG 2 7 DA H5' 5.500 . 5.500 3.216 2.674 4.334 . 0 0 "[ . 1 . 2]" 3
44 1 4 GLN QG 2 7 DA H5'' 5.500 . 5.500 3.305 3.073 3.608 . 0 0 "[ . 1 . 2]" 3
45 1 4 GLN QG 2 7 DA H3' 5.500 . 5.500 5.546 5.503 5.620 0.120 19 0 "[ . 1 . 2]" 3
46 1 6 THR MG 2 6 DC H4' 5.500 . 5.500 5.324 4.544 5.623 0.123 9 0 "[ . 1 . 2]" 3
47 1 6 THR MG 3 11 DT H5' 4.500 . 4.500 3.398 2.735 4.671 0.171 14 0 "[ . 1 . 2]" 3
48 1 6 THR MG 3 10 DT H5'' 4.500 . 4.500 2.974 2.539 3.453 . 0 0 "[ . 1 . 2]" 3
49 1 6 THR MG 3 10 DT H2'' 4.500 . 4.500 4.508 4.333 4.583 0.083 19 0 "[ . 1 . 2]" 3
50 1 6 THR MG 3 10 DT H6 6.500 . 6.500 5.940 3.851 6.433 . 0 0 "[ . 1 . 2]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 38
_Distance_constraint_stats_list.Viol_count 9
_Distance_constraint_stats_list.Viol_total 0.412
_Distance_constraint_stats_list.Viol_max 0.007
_Distance_constraint_stats_list.Viol_rms 0.0004
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0023
_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
2 1 DC 0.007 0.007 17 0 "[ . 1 . 2]"
2 2 DA 0.000 0.000 14 0 "[ . 1 . 2]"
2 3 DA 0.000 0.000 . 0 "[ . 1 . 2]"
2 4 DA 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 DA 0.000 0.000 . 0 "[ . 1 . 2]"
2 6 DC 0.003 0.003 12 0 "[ . 1 . 2]"
2 7 DA 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 DA 0.009 0.006 16 0 "[ . 1 . 2]"
2 9 DT 0.000 0.000 . 0 "[ . 1 . 2]"
2 10 DA 0.000 0.000 . 0 "[ . 1 . 2]"
2 11 DT 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 DT 0.002 0.002 17 0 "[ . 1 . 2]"
3 1 DA 0.002 0.002 17 0 "[ . 1 . 2]"
3 2 DA 0.000 0.000 . 0 "[ . 1 . 2]"
3 3 DT 0.000 0.000 . 0 "[ . 1 . 2]"
3 4 DA 0.000 0.000 . 0 "[ . 1 . 2]"
3 5 DT 0.009 0.006 16 0 "[ . 1 . 2]"
3 6 DT 0.000 0.000 . 0 "[ . 1 . 2]"
3 7 DG 0.003 0.003 12 0 "[ . 1 . 2]"
3 8 DT 0.000 0.000 . 0 "[ . 1 . 2]"
3 9 DT 0.000 0.000 . 0 "[ . 1 . 2]"
3 10 DT 0.000 0.000 . 0 "[ . 1 . 2]"
3 11 DT 0.000 0.000 14 0 "[ . 1 . 2]"
3 12 DG 0.007 0.007 17 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 2 1 DC N3 3 12 DG N1 2.950 2.750 3.150 2.827 2.760 2.946 . 0 0 "[ . 1 . 2]" 4
2 2 1 DC N3 3 12 DG H1 1.950 . 2.150 1.819 1.752 1.945 . 0 0 "[ . 1 . 2]" 4
3 2 1 DC N4 3 12 DG O6 2.910 2.710 3.110 2.723 2.710 2.790 0.000 4 0 "[ . 1 . 2]" 4
4 2 1 DC O2 3 12 DG N2 2.860 2.660 3.060 2.837 2.681 3.067 0.007 17 0 "[ . 1 . 2]" 4
5 2 2 DA N1 3 11 DT N3 2.820 2.620 3.020 2.859 2.681 2.952 . 0 0 "[ . 1 . 2]" 4
6 2 2 DA N1 3 11 DT H3 1.820 . 2.020 1.853 1.677 1.944 . 0 0 "[ . 1 . 2]" 4
7 2 2 DA N6 3 11 DT O4 2.950 2.750 3.150 2.786 2.750 2.892 0.000 14 0 "[ . 1 . 2]" 4
8 2 3 DA N1 3 10 DT N3 2.820 2.620 3.020 2.791 2.705 2.863 . 0 0 "[ . 1 . 2]" 4
9 2 3 DA N1 3 10 DT H3 1.820 . 2.020 1.783 1.698 1.862 . 0 0 "[ . 1 . 2]" 4
10 2 3 DA N6 3 10 DT O4 2.950 2.750 3.150 2.934 2.756 3.135 . 0 0 "[ . 1 . 2]" 4
11 2 4 DA N1 3 9 DT N3 2.820 2.620 3.020 2.725 2.678 2.865 . 0 0 "[ . 1 . 2]" 4
12 2 4 DA N1 3 9 DT H3 1.820 . 2.020 1.720 1.672 1.858 . 0 0 "[ . 1 . 2]" 4
13 2 4 DA N6 3 9 DT O4 2.950 2.750 3.150 2.880 2.753 3.096 . 0 0 "[ . 1 . 2]" 4
14 2 5 DA N1 3 8 DT N3 2.820 2.620 3.020 2.832 2.743 2.986 . 0 0 "[ . 1 . 2]" 4
15 2 5 DA N1 3 8 DT H3 1.820 . 2.020 1.828 1.749 1.985 . 0 0 "[ . 1 . 2]" 4
16 2 5 DA N6 3 8 DT O4 2.950 2.750 3.150 2.874 2.762 2.991 . 0 0 "[ . 1 . 2]" 4
17 2 6 DC N3 3 7 DG N1 2.950 2.750 3.150 2.826 2.757 2.951 . 0 0 "[ . 1 . 2]" 4
18 2 6 DC N3 3 7 DG H1 1.950 . 2.150 1.821 1.751 1.947 . 0 0 "[ . 1 . 2]" 4
19 2 6 DC N4 3 7 DG O6 2.910 2.710 3.110 2.837 2.707 3.003 0.003 12 0 "[ . 1 . 2]" 4
20 2 6 DC O2 3 7 DG N2 2.860 2.660 3.060 2.842 2.710 3.050 . 0 0 "[ . 1 . 2]" 4
21 2 7 DA N1 3 6 DT N3 2.820 2.620 3.020 2.655 2.624 2.728 . 0 0 "[ . 1 . 2]" 4
22 2 7 DA N1 3 6 DT H3 1.820 . 2.020 1.650 1.623 1.722 . 0 0 "[ . 1 . 2]" 4
23 2 7 DA N6 3 6 DT O4 2.950 2.750 3.150 2.785 2.751 2.862 . 0 0 "[ . 1 . 2]" 4
24 2 8 DA N1 3 5 DT N3 2.820 2.620 3.020 2.823 2.747 2.895 . 0 0 "[ . 1 . 2]" 4
25 2 8 DA N1 3 5 DT H3 1.820 . 2.020 1.845 1.761 1.926 . 0 0 "[ . 1 . 2]" 4
26 2 8 DA N6 3 5 DT O4 2.950 2.750 3.150 3.137 3.077 3.156 0.006 16 0 "[ . 1 . 2]" 4
27 2 9 DT N3 3 4 DA N1 2.820 2.620 3.020 2.926 2.782 3.015 . 0 0 "[ . 1 . 2]" 4
28 2 9 DT H3 3 4 DA N1 1.820 . 2.020 1.925 1.777 2.012 . 0 0 "[ . 1 . 2]" 4
29 2 9 DT O4 3 4 DA N6 2.950 2.750 3.150 2.997 2.866 3.124 . 0 0 "[ . 1 . 2]" 4
30 2 10 DA N1 3 3 DT N3 2.820 2.620 3.020 2.814 2.736 2.932 . 0 0 "[ . 1 . 2]" 4
31 2 10 DA N1 3 3 DT H3 1.820 . 2.020 1.808 1.728 1.928 . 0 0 "[ . 1 . 2]" 4
32 2 10 DA N6 3 3 DT O4 2.950 2.750 3.150 2.860 2.771 2.963 . 0 0 "[ . 1 . 2]" 4
33 2 11 DT N3 3 2 DA N1 2.820 2.620 3.020 2.897 2.847 2.975 . 0 0 "[ . 1 . 2]" 4
34 2 11 DT H3 3 2 DA N1 1.820 . 2.020 1.890 1.839 1.968 . 0 0 "[ . 1 . 2]" 4
35 2 11 DT O4 3 2 DA N6 2.950 2.750 3.150 2.892 2.831 2.954 . 0 0 "[ . 1 . 2]" 4
36 2 12 DT N3 3 1 DA N1 2.820 2.620 3.020 2.706 2.623 2.847 . 0 0 "[ . 1 . 2]" 4
37 2 12 DT H3 3 1 DA N1 1.820 . 2.020 1.701 1.620 1.836 . 0 0 "[ . 1 . 2]" 4
38 2 12 DT O4 3 1 DA N6 2.950 2.750 3.150 2.786 2.748 2.904 0.002 17 0 "[ . 1 . 2]" 4
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