NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
590424 |
2n0r   |
25534 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n0r
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 198
_Distance_constraint_stats_list.Viol_count 27
_Distance_constraint_stats_list.Viol_total 2.613
_Distance_constraint_stats_list.Viol_max 0.039
_Distance_constraint_stats_list.Viol_rms 0.0015
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0097
_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 2 C 0.000 0.000 . 0 "[ . 1]"
1 3 U 0.000 0.000 . 0 "[ . 1]"
1 4 G 0.089 0.039 8 0 "[ . 1]"
1 5 A 0.093 0.020 9 0 "[ . 1]"
1 6 G 0.000 0.000 . 0 "[ . 1]"
1 7 C 0.000 0.000 . 0 "[ . 1]"
1 8 U 0.000 0.000 . 0 "[ . 1]"
1 9 C 0.000 0.000 . 0 "[ . 1]"
1 10 G 0.000 0.000 . 0 "[ . 1]"
1 15 A 0.000 0.000 . 0 "[ . 1]"
1 16 G 0.000 0.000 . 0 "[ . 1]"
1 17 C 0.000 0.000 . 0 "[ . 1]"
1 18 A 0.099 0.025 6 0 "[ . 1]"
1 19 A 0.138 0.025 6 0 "[ . 1]"
1 20 U 0.000 0.000 . 0 "[ . 1]"
1 21 G 0.021 0.011 4 0 "[ . 1]"
1 22 A 0.082 0.039 8 0 "[ . 1]"
1 23 U 0.000 0.000 . 0 "[ . 1]"
1 24 G 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 4 G C1' 1 22 A N6 4.000 3.000 5.000 3.444 3.357 3.555 . 0 0 "[ . 1]" 1
2 1 4 G C4' 1 22 A N6 4.000 3.000 5.000 4.537 4.298 4.713 . 0 0 "[ . 1]" 1
3 1 5 A N6 1 21 G C1' 4.000 3.000 5.000 4.036 3.568 4.363 . 0 0 "[ . 1]" 1
4 1 5 A N9 1 6 G C1' 4.000 3.000 5.000 4.682 4.410 4.984 . 0 0 "[ . 1]" 1
5 1 23 U N1 1 24 G C1' 4.000 3.000 7.000 6.108 5.745 6.464 . 0 0 "[ . 1]" 1
6 1 3 U N1 1 4 G C1' 4.000 3.000 7.000 5.369 5.089 5.817 . 0 0 "[ . 1]" 1
7 1 16 G C4 1 17 C C1' 6.000 3.500 9.000 5.741 4.988 6.104 . 0 0 "[ . 1]" 1
8 1 16 G C6 1 17 C C1' 6.000 3.500 9.000 6.629 5.800 6.936 . 0 0 "[ . 1]" 1
9 1 16 G C2 1 17 C C1' 6.000 3.500 9.000 5.758 5.327 5.987 . 0 0 "[ . 1]" 1
10 1 16 G C8 1 17 C C1' 6.000 3.500 9.000 6.665 5.668 7.167 . 0 0 "[ . 1]" 1
11 1 16 G C1' 1 17 C C1' 6.000 3.500 9.000 6.040 5.394 6.501 . 0 0 "[ . 1]" 1
12 1 6 G C4' 1 7 C C1' 6.000 3.500 9.000 7.333 6.875 7.585 . 0 0 "[ . 1]" 1
13 1 6 G C3' 1 7 C C1' 6.000 3.500 9.000 5.821 5.363 6.080 . 0 0 "[ . 1]" 1
14 1 6 G C5' 1 7 C C1' 6.000 3.500 9.000 8.167 7.652 8.488 . 0 0 "[ . 1]" 1
15 1 6 G C1' 1 7 C C1' 6.000 3.500 9.000 6.742 6.279 6.970 . 0 0 "[ . 1]" 1
16 1 6 G C8 1 7 C C1' 6.000 3.500 9.000 7.488 6.915 7.857 . 0 0 "[ . 1]" 1
17 1 6 G C4 1 7 C C1' 6.000 3.500 9.000 6.430 5.918 6.695 . 0 0 "[ . 1]" 1
18 1 6 G C1' 1 7 C C2 6.000 3.500 9.000 6.944 6.493 7.159 . 0 0 "[ . 1]" 1
19 1 6 G C1' 1 7 C C4 6.000 3.500 9.000 6.256 5.909 6.424 . 0 0 "[ . 1]" 1
20 1 6 G C1' 1 7 C C5 6.000 3.500 9.000 5.462 5.142 5.627 . 0 0 "[ . 1]" 1
21 1 16 G C1' 1 17 C C4 6.000 3.500 9.000 6.076 5.915 6.251 . 0 0 "[ . 1]" 1
22 1 9 C C1' 1 10 G C4 6.000 3.500 9.000 7.620 6.188 8.401 . 0 0 "[ . 1]" 1
23 1 9 C C1' 1 10 G C6 6.000 3.500 9.000 8.276 6.287 8.880 . 0 0 "[ . 1]" 1
24 1 19 A C3' 1 20 U C1' 6.000 3.500 9.000 6.302 5.617 7.023 . 0 0 "[ . 1]" 1
25 1 19 A C2' 1 20 U C1' 6.000 3.500 9.000 7.784 6.931 8.545 . 0 0 "[ . 1]" 1
26 1 19 A C4' 1 20 U C1' 6.000 3.500 9.000 6.282 5.766 6.856 . 0 0 "[ . 1]" 1
27 1 19 A C5' 1 20 U C1' 6.000 3.500 9.000 6.325 5.733 6.951 . 0 0 "[ . 1]" 1
28 1 19 A C1' 1 20 U C2' 6.000 3.500 9.000 7.448 6.968 7.961 . 0 0 "[ . 1]" 1
29 1 19 A C1' 1 20 U C3' 6.000 3.500 9.000 6.875 6.181 7.301 . 0 0 "[ . 1]" 1
30 1 19 A C1' 1 20 U C4' 6.000 3.500 9.000 6.800 6.427 7.103 . 0 0 "[ . 1]" 1
31 1 19 A C1' 1 20 U C5' 6.000 3.500 9.000 5.631 5.057 6.058 . 0 0 "[ . 1]" 1
32 1 18 A C1' 1 19 A C1' 6.000 3.500 9.000 7.882 7.181 8.193 . 0 0 "[ . 1]" 1
33 1 18 A C2' 1 19 A C1' 6.000 3.500 9.000 6.645 5.848 7.155 . 0 0 "[ . 1]" 1
34 1 18 A C5' 1 19 A C1' 6.000 3.500 9.000 8.989 8.940 9.025 0.025 6 0 "[ . 1]" 1
35 1 18 A C1' 1 19 A C4' 6.000 3.500 9.000 6.819 6.264 7.132 . 0 0 "[ . 1]" 1
36 1 18 A C1' 1 19 A C3' 6.000 3.500 9.000 7.500 6.796 7.997 . 0 0 "[ . 1]" 1
37 1 18 A C1' 1 19 A C5' 6.000 3.500 9.000 5.419 4.800 5.840 . 0 0 "[ . 1]" 1
38 1 18 A C1' 1 19 A C2 6.000 3.500 9.000 5.951 4.637 9.007 0.007 2 0 "[ . 1]" 1
39 1 18 A C1' 1 22 A C5' 6.000 3.500 9.000 6.230 5.860 6.441 . 0 0 "[ . 1]" 1
40 1 18 A C1' 1 22 A C4' 6.000 3.500 9.000 5.897 5.657 6.125 . 0 0 "[ . 1]" 1
41 1 18 A C1' 1 22 A C4 6.000 3.500 9.000 8.639 8.358 8.952 . 0 0 "[ . 1]" 1
42 1 5 A C1' 1 22 A C4 6.000 3.500 9.000 5.479 4.978 5.771 . 0 0 "[ . 1]" 1
43 1 5 A C1' 1 22 A C5 6.000 3.500 9.000 5.774 5.273 6.134 . 0 0 "[ . 1]" 1
44 1 22 A C5' 1 23 U C1' 6.000 3.500 9.000 8.005 7.694 8.248 . 0 0 "[ . 1]" 1
45 1 22 A C4 1 23 U C1' 6.000 3.500 9.000 4.928 4.408 5.371 . 0 0 "[ . 1]" 1
46 1 22 A C2 1 23 U C1' 6.000 3.500 9.000 4.287 3.797 4.872 . 0 0 "[ . 1]" 1
47 1 22 A C6 1 23 U C1' 6.000 3.500 9.000 5.398 4.687 6.064 . 0 0 "[ . 1]" 1
48 1 22 A C1' 1 23 U C2' 6.000 3.500 9.000 7.257 6.985 7.557 . 0 0 "[ . 1]" 1
49 1 22 A C1' 1 23 U C4 6.000 3.500 9.000 6.239 5.907 6.698 . 0 0 "[ . 1]" 1
50 1 22 A C1' 1 23 U C2 6.000 3.500 9.000 6.416 6.190 6.706 . 0 0 "[ . 1]" 1
51 1 5 A C2' 1 22 A C1' 6.000 3.500 9.000 8.042 7.391 8.370 . 0 0 "[ . 1]" 1
52 1 5 A C3' 1 22 A C1' 6.000 3.500 9.000 8.626 7.904 8.950 . 0 0 "[ . 1]" 1
53 1 18 A C2' 1 22 A C1' 6.000 3.500 9.000 6.059 5.502 6.724 . 0 0 "[ . 1]" 1
54 1 19 A C2 1 22 A C1' 6.000 3.500 9.000 7.654 6.628 8.813 . 0 0 "[ . 1]" 1
55 1 5 A C4 1 22 A C1' 6.000 3.500 9.000 5.087 4.523 5.410 . 0 0 "[ . 1]" 1
56 1 3 U C1' 1 4 G C5' 6.000 3.500 9.000 5.436 5.142 5.747 . 0 0 "[ . 1]" 1
57 1 3 U C1' 1 4 G C3' 6.000 3.500 9.000 6.825 6.563 7.186 . 0 0 "[ . 1]" 1
58 1 3 U C1' 1 4 G C1' 6.000 3.500 9.000 5.577 5.345 6.062 . 0 0 "[ . 1]" 1
59 1 20 U C1' 1 21 G C4' 6.000 3.500 9.000 6.620 6.236 6.988 . 0 0 "[ . 1]" 1
60 1 20 U C1' 1 21 G C5' 6.000 3.500 9.000 5.721 5.110 5.997 . 0 0 "[ . 1]" 1
61 1 20 U C5' 1 21 G C1' 6.000 3.500 9.000 6.593 5.506 7.777 . 0 0 "[ . 1]" 1
62 1 20 U C4' 1 21 G C1' 6.000 3.500 9.000 6.829 6.331 7.554 . 0 0 "[ . 1]" 1
63 1 20 U C1' 1 21 G C1' 6.000 3.500 9.000 8.354 7.842 8.829 . 0 0 "[ . 1]" 1
64 1 23 U C2' 1 24 G C1' 6.000 3.500 9.000 4.804 4.369 5.203 . 0 0 "[ . 1]" 1
65 1 23 U C2 1 24 G C1' 6.000 3.500 9.000 5.934 5.600 6.250 . 0 0 "[ . 1]" 1
66 1 23 U C1' 1 24 G C4 6.000 3.500 9.000 6.059 5.709 6.330 . 0 0 "[ . 1]" 1
67 1 3 U C3' 1 4 G C1' 6.000 3.500 9.000 4.997 4.719 5.402 . 0 0 "[ . 1]" 1
68 1 3 U C4' 1 4 G C1' 6.000 3.500 9.000 6.443 6.186 6.846 . 0 0 "[ . 1]" 1
69 1 3 U C5' 1 4 G C1' 6.000 3.500 9.000 7.313 6.985 7.845 . 0 0 "[ . 1]" 1
70 1 7 C C2 1 8 U C1' 6.000 3.500 9.000 5.789 5.417 6.265 . 0 0 "[ . 1]" 1
71 1 8 U C1' 1 9 C C2 6.000 3.500 9.000 5.975 5.677 6.480 . 0 0 "[ . 1]" 1
72 1 2 C C2 1 3 U C1' 6.000 3.500 9.000 5.593 5.090 6.155 . 0 0 "[ . 1]" 1
73 1 7 C C1' 1 23 U C5' 6.000 3.500 9.000 5.706 4.362 6.564 . 0 0 "[ . 1]" 1
74 1 8 U C2 1 9 C C1' 6.000 3.500 9.000 5.635 5.125 5.929 . 0 0 "[ . 1]" 1
75 1 8 U C4 1 9 C C1' 6.000 3.500 9.000 6.915 6.293 7.273 . 0 0 "[ . 1]" 1
76 1 8 U C5 1 9 C C1' 6.000 3.500 9.000 7.038 6.418 7.390 . 0 0 "[ . 1]" 1
77 1 8 U C1' 1 9 C C5 6.000 3.500 9.000 4.835 4.578 5.078 . 0 0 "[ . 1]" 1
78 1 8 U C1' 1 9 C C6 6.000 3.500 9.000 4.695 4.477 5.021 . 0 0 "[ . 1]" 1
79 1 7 C C5 1 8 U C1' 6.000 3.500 9.000 7.270 6.834 7.910 . 0 0 "[ . 1]" 1
80 1 2 C C1' 1 3 U C4 6.000 3.500 9.000 5.953 5.524 6.526 . 0 0 "[ . 1]" 1
81 1 2 C C1' 1 3 U C2 6.000 3.500 9.000 6.465 6.042 7.054 . 0 0 "[ . 1]" 1
82 1 2 C C1' 1 3 U C5 6.000 3.500 9.000 5.195 4.841 5.652 . 0 0 "[ . 1]" 1
83 1 17 C C1' 1 18 A C2' 6.000 3.500 9.000 6.420 6.089 6.914 . 0 0 "[ . 1]" 1
84 1 17 C C1' 1 18 A C3' 6.000 3.500 9.000 6.435 6.090 6.783 . 0 0 "[ . 1]" 1
85 1 17 C C1' 1 18 A C4 6.000 3.500 9.000 6.567 6.136 6.812 . 0 0 "[ . 1]" 1
86 1 17 C C2 1 18 A C1' 6.000 3.500 9.000 4.144 3.712 4.626 . 0 0 "[ . 1]" 1
87 1 17 C C4 1 18 A C1' 6.000 3.500 9.000 5.256 4.719 5.852 . 0 0 "[ . 1]" 1
88 1 17 C C1' 1 18 A C6 6.000 3.500 9.000 8.158 7.442 8.639 . 0 0 "[ . 1]" 1
89 1 17 C C1' 1 18 A C2 6.000 3.500 9.000 8.293 7.861 8.852 . 0 0 "[ . 1]" 1
90 1 19 A C1' 1 21 G C1' 6.000 3.500 9.000 5.508 4.767 6.105 . 0 0 "[ . 1]" 1
91 1 19 A C1' 1 21 G C3' 6.000 3.500 9.000 7.185 6.454 7.852 . 0 0 "[ . 1]" 1
92 1 5 A C1' 1 6 G C1' 6.000 3.500 9.000 4.033 3.798 4.397 . 0 0 "[ . 1]" 1
93 1 5 A C2' 1 6 G C1' 6.000 3.500 9.000 5.162 4.849 5.607 . 0 0 "[ . 1]" 1
94 1 5 A C3' 1 6 G C1' 6.000 3.500 9.000 5.154 4.580 5.605 . 0 0 "[ . 1]" 1
95 1 5 A C1' 1 6 G C2' 6.000 3.500 9.000 5.119 4.799 5.526 . 0 0 "[ . 1]" 1
96 1 18 A C1' 1 21 G C3' 6.000 3.500 9.000 8.422 7.670 9.002 0.002 3 0 "[ . 1]" 1
97 1 19 A C4' 1 20 U P 3.500 . 5.000 3.699 3.482 3.900 . 0 0 "[ . 1]" 1
98 1 5 A C3' 1 5 A P 3.500 . 5.000 4.446 4.196 4.611 . 0 0 "[ . 1]" 1
99 1 5 A C3' 1 6 G P 3.500 . 5.000 2.628 2.626 2.631 . 0 0 "[ . 1]" 1
100 1 5 A C4' 1 6 G P 3.500 . 5.000 3.244 3.198 3.280 . 0 0 "[ . 1]" 1
101 1 22 A C1' 1 23 U P 3.500 . 5.000 4.784 4.740 4.823 . 0 0 "[ . 1]" 1
102 1 5 A C4' 1 5 A P 3.500 . 5.000 3.841 3.714 3.922 . 0 0 "[ . 1]" 1
103 1 19 A C4' 1 19 A P 3.500 . 5.000 3.739 3.532 3.921 . 0 0 "[ . 1]" 1
104 1 18 A C4' 1 19 A P 3.500 . 5.000 3.659 3.413 3.928 . 0 0 "[ . 1]" 1
105 1 18 A C2' 1 19 A P 3.500 . 5.000 3.720 3.350 3.911 . 0 0 "[ . 1]" 1
106 1 22 A C2' 1 23 U P 3.500 . 5.000 3.430 3.352 3.480 . 0 0 "[ . 1]" 1
107 1 4 G C1' 1 5 A P 3.500 . 5.000 4.547 4.512 4.596 . 0 0 "[ . 1]" 1
108 1 4 G C4' 1 5 A P 3.500 . 5.000 3.395 3.351 3.458 . 0 0 "[ . 1]" 1
109 1 4 G C4' 1 4 G P 3.500 . 5.000 3.844 3.762 3.913 . 0 0 "[ . 1]" 1
110 1 4 G C3' 1 4 G P 3.500 . 5.000 4.864 4.840 4.887 . 0 0 "[ . 1]" 1
111 1 21 G C4' 1 21 G P 3.500 . 5.000 3.878 3.539 3.921 . 0 0 "[ . 1]" 1
112 1 21 G C4' 1 22 A P 3.500 . 5.000 3.764 3.569 3.867 . 0 0 "[ . 1]" 1
113 1 20 U C3' 1 20 U P 3.500 . 5.000 4.728 4.533 4.953 . 0 0 "[ . 1]" 1
114 1 18 A H2' 1 19 A H5' 3.000 . 4.000 3.324 2.641 3.852 . 0 0 "[ . 1]" 1
115 1 19 A H5' 1 20 U H3' 3.000 . 5.000 4.661 4.076 4.995 . 0 0 "[ . 1]" 1
116 1 5 A H2 1 22 A H1' 3.000 . 5.000 3.488 2.439 4.498 . 0 0 "[ . 1]" 1
117 1 18 A H1' 1 22 A H4' 3.000 . 5.000 4.711 4.373 5.012 0.012 5 0 "[ . 1]" 1
118 1 19 A H4' 1 20 U H2' 3.000 . 5.000 4.085 3.412 4.632 . 0 0 "[ . 1]" 1
119 1 19 A H4' 1 20 U H3' 3.000 . 4.000 3.052 2.228 3.568 . 0 0 "[ . 1]" 1
120 1 19 A H4' 1 20 U H5' 3.000 . 4.000 3.345 2.560 3.989 . 0 0 "[ . 1]" 1
121 1 19 A H5' 1 20 U H2' 3.000 . 5.000 4.543 4.120 4.983 . 0 0 "[ . 1]" 1
122 1 22 A H2' 1 23 U H5'' 3.000 . 5.000 4.385 3.990 4.727 . 0 0 "[ . 1]" 1
123 1 3 U H2' 1 4 G H5' 3.000 . 4.000 3.433 3.088 3.875 . 0 0 "[ . 1]" 1
124 1 4 G Q2 1 21 G H1' 3.000 . 5.000 4.121 3.500 4.682 . 0 0 "[ . 1]" 1
125 1 4 G H1' 1 21 G Q2 3.000 . 5.000 4.071 3.719 4.443 . 0 0 "[ . 1]" 1
126 1 5 A H2' 1 19 A Q6 3.000 . 4.000 3.298 2.963 3.462 . 0 0 "[ . 1]" 1
127 1 5 A H3' 1 19 A Q6 3.000 . 5.000 4.957 4.824 5.011 0.011 1 0 "[ . 1]" 1
128 1 5 A H8 1 19 A Q6 3.000 . 5.000 3.976 3.319 4.793 . 0 0 "[ . 1]" 1
129 1 5 A Q6 1 19 A H5'' 3.000 . 4.000 3.429 3.050 3.693 . 0 0 "[ . 1]" 1
130 1 5 A Q6 1 19 A H4' 3.000 . 5.000 4.363 3.992 4.910 . 0 0 "[ . 1]" 1
131 1 5 A Q6 1 18 A H2' 3.000 . 5.000 4.697 4.263 5.010 0.010 1 0 "[ . 1]" 1
132 1 5 A Q6 1 19 A H2' 3.000 . 5.000 4.960 4.731 5.020 0.020 9 0 "[ . 1]" 1
133 1 5 A Q6 1 21 G H1' 3.000 . 4.000 2.350 2.028 2.644 . 0 0 "[ . 1]" 1
134 1 4 G H1' 1 22 A Q6 3.000 . 4.000 2.024 1.961 2.086 0.039 8 0 "[ . 1]" 1
135 1 6 G Q2 1 18 A H1' 3.000 . 4.000 2.811 2.318 3.337 . 0 0 "[ . 1]" 1
136 1 6 G Q2 1 22 A H4' 3.000 . 4.000 2.871 2.578 3.386 . 0 0 "[ . 1]" 1
137 1 6 G Q2 1 22 A H1' 3.000 . 4.000 3.274 2.763 3.817 . 0 0 "[ . 1]" 1
138 1 4 G H3' 1 21 G Q2 3.000 . 5.000 4.895 4.619 5.011 0.011 4 0 "[ . 1]" 1
139 1 4 G H3' 1 22 A Q6 3.000 . 5.000 4.932 4.689 5.007 0.007 6 0 "[ . 1]" 1
140 1 4 G H2' 1 22 A Q6 3.000 . 5.000 4.641 4.537 4.707 . 0 0 "[ . 1]" 1
141 1 19 A C4' 1 19 A C8 4.000 . 6.000 4.701 4.293 4.805 . 0 0 "[ . 1]" 1
142 1 19 A C4 1 19 A C4' 4.000 . 6.000 4.137 4.008 4.510 . 0 0 "[ . 1]" 1
143 1 19 A C5' 1 19 A C8 4.000 . 6.000 5.471 4.580 5.620 . 0 0 "[ . 1]" 1
144 1 19 A C4 1 19 A C5' 4.000 . 6.000 4.453 4.186 5.172 . 0 0 "[ . 1]" 1
145 1 19 A C1' 1 19 A C5' 3.000 . 4.000 3.426 3.386 3.465 . 0 0 "[ . 1]" 1
146 1 19 A C2' 1 19 A C5' 3.000 . 4.000 3.308 3.256 3.370 . 0 0 "[ . 1]" 1
147 1 19 A H1' 1 19 A H3' 3.000 . 5.000 3.832 3.812 3.852 . 0 0 "[ . 1]" 1
148 1 19 A H1' 1 19 A H4' 3.000 . 5.000 3.304 3.202 3.406 . 0 0 "[ . 1]" 1
149 1 19 A H1' 1 19 A H8 3.000 . 4.000 2.660 2.526 3.769 . 0 0 "[ . 1]" 1
150 1 19 A H2' 1 19 A H4' 3.000 . 5.000 3.839 3.827 3.859 . 0 0 "[ . 1]" 1
151 1 18 A C4 1 18 A C5' 4.000 . 6.000 5.288 5.127 5.379 . 0 0 "[ . 1]" 1
152 1 18 A C4 1 18 A C4' 4.000 . 6.000 4.560 4.452 4.601 . 0 0 "[ . 1]" 1
153 1 18 A C1' 1 18 A C5' 3.000 . 4.000 3.500 3.477 3.527 . 0 0 "[ . 1]" 1
154 1 18 A C2' 1 18 A C5' 3.000 . 4.000 3.719 3.712 3.727 . 0 0 "[ . 1]" 1
155 1 18 A H1' 1 18 A H3' 3.000 . 5.000 3.873 3.860 3.883 . 0 0 "[ . 1]" 1
156 1 18 A H1' 1 18 A H4' 3.000 . 5.000 3.607 3.554 3.654 . 0 0 "[ . 1]" 1
157 1 18 A H2' 1 18 A H4' 3.000 . 5.000 3.883 3.854 3.908 . 0 0 "[ . 1]" 1
158 1 18 A H4' 1 18 A H8 3.000 . 5.000 4.124 3.992 4.243 . 0 0 "[ . 1]" 1
159 1 5 A C4 1 5 A C5' 4.000 . 6.000 5.505 5.352 5.586 . 0 0 "[ . 1]" 1
160 1 5 A C1' 1 5 A C5' 3.000 . 4.000 3.396 3.357 3.452 . 0 0 "[ . 1]" 1
161 1 5 A C2' 1 5 A C5' 3.000 . 4.000 3.262 3.230 3.334 . 0 0 "[ . 1]" 1
162 1 5 A H1' 1 5 A H3' 3.000 . 5.000 3.834 3.800 3.876 . 0 0 "[ . 1]" 1
163 1 5 A H2' 1 5 A H4' 3.000 . 5.000 3.823 3.813 3.840 . 0 0 "[ . 1]" 1
164 1 5 A H2' 1 5 A H8 3.000 . 5.000 2.464 2.196 2.737 . 0 0 "[ . 1]" 1
165 1 22 A C4 1 22 A C5' 4.000 . 6.000 5.482 5.407 5.536 . 0 0 "[ . 1]" 1
166 1 22 A C3' 1 22 A C4 4.000 . 6.000 4.161 4.088 4.254 . 0 0 "[ . 1]" 1
167 1 22 A C1' 1 22 A C5' 3.000 . 4.000 3.559 3.535 3.573 . 0 0 "[ . 1]" 1
168 1 22 A C2' 1 22 A C5' 3.000 . 4.000 3.737 3.731 3.741 . 0 0 "[ . 1]" 1
169 1 22 A H4' 1 22 A H8 3.000 . 5.000 4.354 4.200 4.450 . 0 0 "[ . 1]" 1
170 1 15 A C1' 1 15 A C5' 3.000 . 4.000 3.557 3.536 3.584 . 0 0 "[ . 1]" 1
171 1 15 A C2' 1 15 A C5' 3.000 . 4.000 3.737 3.731 3.743 . 0 0 "[ . 1]" 1
172 1 3 U C1' 1 3 U C5' 3.000 . 4.000 3.570 3.555 3.589 . 0 0 "[ . 1]" 1
173 1 3 U C2' 1 3 U C5' 3.000 . 4.000 3.740 3.736 3.747 . 0 0 "[ . 1]" 1
174 1 3 U C2 1 3 U C5' 4.000 . 6.000 5.588 5.535 5.659 . 0 0 "[ . 1]" 1
175 1 8 U C1' 1 8 U C5' 3.000 . 4.000 3.577 3.566 3.589 . 0 0 "[ . 1]" 1
176 1 8 U C2' 1 8 U C5' 3.000 . 4.000 3.743 3.739 3.746 . 0 0 "[ . 1]" 1
177 1 8 U C2 1 8 U C5' 4.000 . 6.000 5.614 5.566 5.665 . 0 0 "[ . 1]" 1
178 1 20 U C1' 1 20 U C5' 3.000 . 4.000 3.400 3.360 3.428 . 0 0 "[ . 1]" 1
179 1 20 U C2' 1 20 U C5' 3.000 . 4.000 3.273 3.231 3.307 . 0 0 "[ . 1]" 1
180 1 20 U C2 1 20 U C5' 4.000 . 6.000 5.549 5.466 5.621 . 0 0 "[ . 1]" 1
181 1 20 U C5' 1 20 U C6 4.000 . 6.000 4.045 3.883 4.172 . 0 0 "[ . 1]" 1
182 1 23 U C1' 1 23 U C5' 3.000 . 4.000 3.574 3.558 3.588 . 0 0 "[ . 1]" 1
183 1 23 U C2' 1 23 U C5' 3.000 . 4.000 3.741 3.736 3.745 . 0 0 "[ . 1]" 1
184 1 23 U C2 1 23 U C5' 4.000 . 6.000 5.603 5.552 5.651 . 0 0 "[ . 1]" 1
185 1 4 G C1' 1 4 G C5' 3.000 . 4.000 3.398 3.376 3.427 . 0 0 "[ . 1]" 1
186 1 4 G C2' 1 4 G C5' 3.000 . 4.000 3.268 3.236 3.315 . 0 0 "[ . 1]" 1
187 1 6 G C1' 1 6 G C5' 3.000 . 4.000 3.521 3.475 3.559 . 0 0 "[ . 1]" 1
188 1 6 G C2' 1 6 G C5' 3.000 . 4.000 3.725 3.709 3.737 . 0 0 "[ . 1]" 1
189 1 10 G C1' 1 10 G C5' 3.000 . 4.000 3.514 3.467 3.555 . 0 0 "[ . 1]" 1
190 1 10 G C2' 1 10 G C5' 3.000 . 4.000 3.723 3.711 3.737 . 0 0 "[ . 1]" 1
191 1 21 G C1' 1 21 G C5' 3.000 . 4.000 3.399 3.292 3.468 . 0 0 "[ . 1]" 1
192 1 21 G C2' 1 21 G C5' 3.000 . 4.000 3.273 3.185 3.366 . 0 0 "[ . 1]" 1
193 1 7 C C1' 1 7 C C5' 3.000 . 4.000 3.574 3.567 3.579 . 0 0 "[ . 1]" 1
194 1 7 C C2' 1 7 C C5' 3.000 . 4.000 3.742 3.739 3.745 . 0 0 "[ . 1]" 1
195 1 9 C C1' 1 9 C C5' 3.000 . 4.000 3.579 3.571 3.588 . 0 0 "[ . 1]" 1
196 1 9 C C2' 1 9 C C5' 3.000 . 4.000 3.743 3.741 3.746 . 0 0 "[ . 1]" 1
197 1 17 C C1' 1 17 C C5' 3.000 . 4.000 3.588 3.570 3.608 . 0 0 "[ . 1]" 1
198 1 17 C C2' 1 17 C C5' 3.000 . 4.000 3.746 3.741 3.754 . 0 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 34
_Distance_constraint_stats_list.Viol_count 133
_Distance_constraint_stats_list.Viol_total 20.312
_Distance_constraint_stats_list.Viol_max 0.048
_Distance_constraint_stats_list.Viol_rms 0.0099
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0060
_Distance_constraint_stats_list.Viol_average_violations_only 0.0153
_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 C 0.338 0.045 1 0 "[ . 1]"
1 3 U 0.033 0.017 1 0 "[ . 1]"
1 4 G 0.041 0.016 8 0 "[ . 1]"
1 5 A 0.028 0.014 6 0 "[ . 1]"
1 6 G 0.458 0.046 10 0 "[ . 1]"
1 7 C 0.320 0.039 10 0 "[ . 1]"
1 8 U 0.403 0.048 6 0 "[ . 1]"
1 9 C 0.410 0.041 1 0 "[ . 1]"
1 14 G 0.410 0.041 1 0 "[ . 1]"
1 15 A 0.403 0.048 6 0 "[ . 1]"
1 16 G 0.320 0.039 10 0 "[ . 1]"
1 17 C 0.458 0.046 10 0 "[ . 1]"
1 21 G 0.028 0.014 6 0 "[ . 1]"
1 22 A 0.041 0.016 8 0 "[ . 1]"
1 23 U 0.033 0.017 1 0 "[ . 1]"
1 24 G 0.338 0.045 1 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 3 U H3 1 23 U O4 2.000 . 2.300 2.106 1.995 2.250 . 0 0 "[ . 1]" 2
2 1 3 U O2 1 23 U H3 2.000 . 2.300 2.249 2.099 2.317 0.017 1 0 "[ . 1]" 2
3 1 4 G N3 1 22 A N6 3.000 2.800 3.200 3.130 3.050 3.216 0.016 8 0 "[ . 1]" 2
4 1 4 G N2 1 22 A N7 3.000 2.800 3.200 3.164 3.037 3.210 0.010 6 0 "[ . 1]" 2
5 1 5 A N6 1 21 G N3 3.000 2.800 3.200 3.043 2.859 3.199 . 0 0 "[ . 1]" 2
6 1 5 A N7 1 21 G N2 3.000 2.800 3.200 3.077 2.933 3.214 0.014 6 0 "[ . 1]" 2
7 1 2 C N3 1 24 G N1 2.890 2.780 3.000 3.017 2.999 3.045 0.045 1 0 "[ . 1]" 2
8 1 2 C N3 1 24 G H1 1.890 . 2.090 2.081 2.036 2.117 0.027 3 0 "[ . 1]" 2
9 1 2 C O2 1 24 G H22 1.800 . 2.000 1.969 1.921 2.000 0.000 3 0 "[ . 1]" 2
10 1 2 C O2 1 24 G N2 2.770 2.620 2.920 2.927 2.910 2.941 0.021 7 0 "[ . 1]" 2
11 1 2 C H41 1 24 G O6 1.910 . 2.110 2.072 2.019 2.113 0.003 4 0 "[ . 1]" 2
12 1 2 C N4 1 24 G O6 2.960 2.790 3.130 3.013 2.974 3.062 . 0 0 "[ . 1]" 2
13 1 9 C N3 1 14 G N1 2.890 2.780 3.000 3.022 2.995 3.041 0.041 1 0 "[ . 1]" 2
14 1 9 C N3 1 14 G H1 1.890 . 2.090 2.073 2.021 2.111 0.021 5 0 "[ . 1]" 2
15 1 9 C O2 1 14 G H22 1.800 . 2.000 1.984 1.940 2.015 0.015 7 0 "[ . 1]" 2
16 1 9 C O2 1 14 G N2 2.770 2.620 2.920 2.925 2.892 2.946 0.026 4 0 "[ . 1]" 2
17 1 9 C H41 1 14 G O6 1.910 . 2.110 2.066 2.006 2.101 . 0 0 "[ . 1]" 2
18 1 9 C N4 1 14 G O6 2.960 2.820 3.100 3.016 2.989 3.061 . 0 0 "[ . 1]" 2
19 1 7 C N3 1 16 G N1 2.890 2.780 3.000 3.022 3.005 3.039 0.039 10 0 "[ . 1]" 2
20 1 7 C N3 1 16 G H1 1.890 . 2.090 2.078 2.051 2.101 0.011 5 0 "[ . 1]" 2
21 1 7 C O2 1 16 G H22 1.800 . 2.000 2.002 1.985 2.021 0.021 3 0 "[ . 1]" 2
22 1 7 C O2 1 16 G N2 2.770 2.620 2.920 2.900 2.876 2.935 0.015 1 0 "[ . 1]" 2
23 1 7 C H41 1 16 G O6 1.910 . 2.110 2.083 2.028 2.132 0.022 10 0 "[ . 1]" 2
24 1 7 C N4 1 16 G O6 2.960 2.820 3.100 3.028 2.990 3.089 . 0 0 "[ . 1]" 2
25 1 6 G N1 1 17 C N3 2.890 2.780 3.000 3.019 2.999 3.046 0.046 10 0 "[ . 1]" 2
26 1 6 G H1 1 17 C N3 1.890 . 2.090 2.093 2.038 2.116 0.026 9 0 "[ . 1]" 2
27 1 6 G H22 1 17 C O2 1.800 . 2.000 1.977 1.928 2.011 0.011 9 0 "[ . 1]" 2
28 1 6 G N2 1 17 C O2 2.770 2.620 2.920 2.935 2.919 2.948 0.028 6 0 "[ . 1]" 2
29 1 6 G O6 1 17 C H41 1.910 . 2.110 2.082 2.048 2.114 0.004 3 0 "[ . 1]" 2
30 1 6 G O6 1 17 C N4 2.960 2.820 3.100 3.013 2.973 3.057 . 0 0 "[ . 1]" 2
31 1 8 U N3 1 15 A N1 2.840 2.720 2.960 2.979 2.964 3.008 0.048 6 0 "[ . 1]" 2
32 1 8 U H3 1 15 A N1 1.830 . 2.030 2.020 1.972 2.053 0.023 5 0 "[ . 1]" 2
33 1 8 U O4 1 15 A H61 1.800 . 2.000 2.016 2.007 2.030 0.030 1 0 "[ . 1]" 2
34 1 8 U O4 1 15 A N6 3.000 2.830 3.170 2.975 2.928 3.020 . 0 0 "[ . 1]" 2
stop_
save_
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