NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
375814 |
1f7i   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1f7i
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 262
_Distance_constraint_stats_list.Viol_count 592
_Distance_constraint_stats_list.Viol_total 338.841
_Distance_constraint_stats_list.Viol_max 0.248
_Distance_constraint_stats_list.Viol_rms 0.0272
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0090
_Distance_constraint_stats_list.Viol_average_violations_only 0.0477
_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 2.350 0.130 10 0 "[ . 1 ]"
1 2 G 2.843 0.130 10 0 "[ . 1 ]"
1 3 A 0.931 0.061 8 0 "[ . 1 ]"
1 4 A 0.871 0.070 9 0 "[ . 1 ]"
1 5 G 1.017 0.070 9 0 "[ . 1 ]"
1 6 U 1.529 0.091 9 0 "[ . 1 ]"
1 7 U 1.682 0.134 7 0 "[ . 1 ]"
1 8 C 2.471 0.134 7 0 "[ . 1 ]"
1 9 G 0.978 0.079 7 0 "[ . 1 ]"
1 10 G 1.011 0.056 10 0 "[ . 1 ]"
1 11 U 2.605 0.178 10 0 "[ . 1 ]"
1 12 C 3.087 0.178 10 0 "[ . 1 ]"
1 13 U 2.952 0.245 7 0 "[ . 1 ]"
1 14 U 5.748 0.245 7 0 "[ . 1 ]"
1 15 C 5.123 0.232 12 0 "[ . 1 ]"
1 16 G 2.344 0.248 12 0 "[ . 1 ]"
1 17 G 2.175 0.248 12 0 "[ . 1 ]"
1 18 A 1.711 0.111 10 0 "[ . 1 ]"
1 19 C 2.859 0.160 5 0 "[ . 1 ]"
1 20 C 2.379 0.160 5 0 "[ . 1 ]"
1 21 G 1.840 0.161 11 0 "[ . 1 ]"
1 22 G 1.764 0.161 11 0 "[ . 1 ]"
1 23 C 1.202 0.090 12 0 "[ . 1 ]"
1 24 U 1.275 0.090 12 0 "[ . 1 ]"
1 25 U 0.663 0.064 3 0 "[ . 1 ]"
1 26 C 0.470 0.051 2 0 "[ . 1 ]"
1 27 C 0.110 0.026 12 0 "[ . 1 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 G H1' 1 1 G H8 2.000 . 5.000 3.851 3.784 3.878 . 0 0 "[ . 1 ]" 1
2 1 1 G H2' 1 1 G H8 2.000 . 4.000 2.860 2.336 3.954 . 0 0 "[ . 1 ]" 1
3 1 1 G H1' 1 2 G H8 2.000 . 4.000 4.088 4.063 4.130 0.130 10 0 "[ . 1 ]" 1
4 1 1 G H2' 1 2 G H8 1.800 . 3.200 2.271 2.231 2.296 . 0 0 "[ . 1 ]" 1
5 1 1 G H2' 1 2 G H1' 2.500 2.500 5.000 4.906 4.084 5.069 0.069 6 0 "[ . 1 ]" 1
6 1 1 G H3' 1 2 G H8 2.000 . 4.000 3.857 2.916 4.088 0.088 6 0 "[ . 1 ]" 1
7 1 1 G H4' 1 2 G H8 3.000 3.000 7.000 5.203 4.904 5.948 . 0 0 "[ . 1 ]" 1
8 1 1 G H8 1 2 G H8 2.500 2.500 4.500 4.351 3.286 4.546 0.046 12 0 "[ . 1 ]" 1
9 1 2 G H1' 1 2 G H8 2.000 . 4.000 3.745 3.644 3.774 . 0 0 "[ . 1 ]" 1
10 1 2 G H2' 1 2 G H8 2.000 . 5.000 4.005 3.947 4.212 . 0 0 "[ . 1 ]" 1
11 1 2 G H1' 1 3 A H8 2.500 2.500 5.000 5.023 4.997 5.052 0.052 12 0 "[ . 1 ]" 1
12 1 2 G H2' 1 3 A H8 1.800 . 3.200 2.327 2.305 2.341 . 0 0 "[ . 1 ]" 1
13 1 2 G H2' 1 3 A H1' 2.500 2.500 5.000 3.996 3.425 4.695 . 0 0 "[ . 1 ]" 1
14 1 2 G H3' 1 3 A H8 1.800 . 3.200 3.089 2.961 3.219 0.019 9 0 "[ . 1 ]" 1
15 1 2 G H4' 1 3 A H8 3.000 3.000 7.000 5.627 5.518 5.752 . 0 0 "[ . 1 ]" 1
16 1 2 G H8 1 3 A H8 2.500 2.500 5.000 5.006 4.944 5.038 0.038 10 0 "[ . 1 ]" 1
17 1 3 A H1' 1 3 A H8 2.000 . 4.000 3.827 3.744 3.878 . 0 0 "[ . 1 ]" 1
18 1 3 A H2' 1 3 A H8 2.000 . 5.000 3.745 3.505 4.005 . 0 0 "[ . 1 ]" 1
19 1 3 A H1' 1 3 A H2 3.000 3.000 7.000 4.610 4.516 4.751 . 0 0 "[ . 1 ]" 1
20 1 3 A H1' 1 4 A H8 2.500 2.500 5.000 5.017 4.949 5.061 0.061 8 0 "[ . 1 ]" 1
21 1 3 A H2' 1 4 A H8 1.800 . 3.200 2.334 2.306 2.345 . 0 0 "[ . 1 ]" 1
22 1 3 A H2' 1 4 A H1' 3.000 3.000 7.000 4.149 3.473 4.807 . 0 0 "[ . 1 ]" 1
23 1 3 A H3' 1 4 A H8 2.000 . 4.000 3.518 3.255 3.846 . 0 0 "[ . 1 ]" 1
24 1 3 A H4' 1 4 A H8 3.000 3.000 7.000 5.842 5.633 5.945 . 0 0 "[ . 1 ]" 1
25 1 3 A H8 1 4 A H8 2.500 2.500 5.000 4.936 4.597 5.025 0.025 9 0 "[ . 1 ]" 1
26 1 3 A H2 1 4 A H1' 2.000 . 4.000 3.899 3.582 4.017 0.017 5 0 "[ . 1 ]" 1
27 1 3 A H2 1 4 A H2 2.000 . 5.000 4.614 4.056 4.983 . 0 0 "[ . 1 ]" 1
28 1 3 A H2 1 26 C H1' 2.000 . 4.000 3.952 3.804 4.024 0.024 2 0 "[ . 1 ]" 1
29 1 4 A H1' 1 4 A H8 2.000 . 4.000 3.848 3.773 3.876 . 0 0 "[ . 1 ]" 1
30 1 4 A H2' 1 4 A H8 2.000 . 5.000 3.658 3.508 3.960 . 0 0 "[ . 1 ]" 1
31 1 4 A H1' 1 4 A H2 3.000 3.000 7.000 4.570 4.522 4.701 . 0 0 "[ . 1 ]" 1
32 1 4 A H1' 1 5 G H8 2.500 2.500 5.000 5.030 5.002 5.070 0.070 9 0 "[ . 1 ]" 1
33 1 4 A H1' 1 5 G H1' 2.500 2.500 5.000 4.913 4.775 4.997 . 0 0 "[ . 1 ]" 1
34 1 4 A H2' 1 5 G H8 1.800 . 3.200 2.335 2.307 2.374 . 0 0 "[ . 1 ]" 1
35 1 4 A H2' 1 5 G H1' 2.500 2.500 5.000 3.898 3.540 4.097 . 0 0 "[ . 1 ]" 1
36 1 4 A H3' 1 5 G H8 2.500 2.500 5.000 3.612 3.086 3.909 . 0 0 "[ . 1 ]" 1
37 1 4 A H4' 1 5 G H8 3.000 3.000 7.000 5.866 5.630 6.008 . 0 0 "[ . 1 ]" 1
38 1 4 A H8 1 5 G H8 2.500 2.500 5.000 4.966 4.803 5.025 0.025 9 0 "[ . 1 ]" 1
39 1 4 A H2 1 5 G H1' 2.000 . 4.000 3.823 3.093 4.011 0.011 7 0 "[ . 1 ]" 1
40 1 4 A H2 1 5 G H8 3.000 3.000 7.000 6.045 5.570 6.298 . 0 0 "[ . 1 ]" 1
41 1 4 A H2 1 25 U H1' 2.000 . 4.000 3.740 3.335 4.020 0.020 12 0 "[ . 1 ]" 1
42 1 5 G H1' 1 5 G H8 2.000 . 4.000 3.799 3.738 3.864 . 0 0 "[ . 1 ]" 1
43 1 5 G H2' 1 5 G H8 2.000 . 5.000 3.779 3.537 3.974 . 0 0 "[ . 1 ]" 1
44 1 5 G H1' 1 6 U H6 2.500 2.500 5.000 5.024 4.998 5.060 0.060 9 0 "[ . 1 ]" 1
45 1 5 G H1' 1 6 U H5 3.000 3.000 6.000 5.647 5.483 5.913 . 0 0 "[ . 1 ]" 1
46 1 5 G H2' 1 6 U H6 1.800 . 3.800 2.538 2.445 2.611 . 0 0 "[ . 1 ]" 1
47 1 5 G H2' 1 6 U H5 2.500 2.500 5.000 4.112 3.938 4.264 . 0 0 "[ . 1 ]" 1
48 1 5 G H3' 1 6 U H6 2.500 2.500 5.000 3.086 2.626 3.544 . 0 0 "[ . 1 ]" 1
49 1 5 G H3' 1 6 U H5 2.500 2.500 5.000 3.875 3.615 4.353 . 0 0 "[ . 1 ]" 1
50 1 5 G H4' 1 6 U H6 3.000 3.000 7.000 5.795 5.491 6.063 . 0 0 "[ . 1 ]" 1
51 1 5 G H8 1 6 U H6 2.000 . 4.000 4.022 4.005 4.049 0.049 12 0 "[ . 1 ]" 1
52 1 5 G H8 1 6 U H5 2.000 . 4.000 2.954 2.762 3.297 . 0 0 "[ . 1 ]" 1
53 1 6 U H1' 1 6 U H6 2.000 . 4.000 3.691 3.672 3.709 . 0 0 "[ . 1 ]" 1
54 1 6 U H2' 1 6 U H6 1.800 . 3.800 3.088 2.973 3.178 . 0 0 "[ . 1 ]" 1
55 1 6 U H1' 1 7 U H6 3.000 3.000 7.000 7.026 7.015 7.044 0.044 8 0 "[ . 1 ]" 1
56 1 6 U H2' 1 7 U H6 3.000 3.000 7.000 5.379 5.095 5.664 . 0 0 "[ . 1 ]" 1
57 1 6 U H1' 1 8 C H6 3.000 3.000 7.000 5.486 4.741 6.314 . 0 0 "[ . 1 ]" 1
58 1 6 U H2' 1 8 C H6 2.500 2.500 5.000 2.932 2.579 3.435 . 0 0 "[ . 1 ]" 1
59 1 6 U H2' 1 8 C H5 2.000 . 4.000 3.527 2.975 3.940 . 0 0 "[ . 1 ]" 1
60 1 6 U H4' 1 8 C H6 3.000 3.000 7.000 6.677 6.262 7.020 0.020 11 0 "[ . 1 ]" 1
61 1 6 U H6 1 8 C H6 2.500 2.500 5.000 5.054 5.032 5.091 0.091 9 0 "[ . 1 ]" 1
62 1 6 U H6 1 8 C H5 3.000 3.000 7.000 3.999 3.792 4.568 . 0 0 "[ . 1 ]" 1
63 1 6 U H5 1 8 C H5 3.000 3.000 7.000 3.592 3.251 4.088 . 0 0 "[ . 1 ]" 1
64 1 7 U H1' 1 7 U H6 2.000 . 4.000 2.457 2.352 3.432 . 0 0 "[ . 1 ]" 1
65 1 7 U H2' 1 7 U H5 2.500 2.500 5.000 5.017 4.965 5.119 0.119 11 0 "[ . 1 ]" 1
66 1 7 U H6 1 8 C H5 2.500 2.500 5.000 4.021 3.028 5.087 0.087 11 0 "[ . 1 ]" 1
67 1 7 U H2' 1 8 C H6 2.000 . 4.000 4.085 4.032 4.134 0.134 7 0 "[ . 1 ]" 1
68 1 7 U H3' 1 8 C H6 2.500 2.500 5.000 4.717 4.254 4.977 . 0 0 "[ . 1 ]" 1
69 1 7 U H4' 1 8 C H6 2.500 2.500 5.000 3.124 2.633 3.703 . 0 0 "[ . 1 ]" 1
70 1 8 C H1' 1 8 C H6 2.000 . 4.000 3.664 3.570 3.764 . 0 0 "[ . 1 ]" 1
71 1 8 C H2' 1 8 C H6 1.800 . 3.800 3.479 2.410 3.846 0.046 8 0 "[ . 1 ]" 1
72 1 8 C H1' 1 8 C H5 3.000 3.000 7.000 5.387 5.316 5.455 . 0 0 "[ . 1 ]" 1
73 1 8 C H1' 1 9 G H8 2.500 2.500 5.000 4.993 4.724 5.079 0.079 7 0 "[ . 1 ]" 1
74 1 8 C H1' 1 9 G H1' 3.000 3.000 7.000 5.919 4.617 6.873 . 0 0 "[ . 1 ]" 1
75 1 8 C H2' 1 9 G H8 1.800 . 3.200 2.331 2.301 2.478 . 0 0 "[ . 1 ]" 1
76 1 8 C H2' 1 9 G H1' 2.500 2.500 5.000 4.581 4.106 5.017 0.017 1 0 "[ . 1 ]" 1
77 1 8 C H3' 1 9 G H8 2.500 2.500 5.000 3.666 2.619 4.425 . 0 0 "[ . 1 ]" 1
78 1 8 C H4' 1 9 G H8 3.000 3.000 7.000 5.777 5.097 6.014 . 0 0 "[ . 1 ]" 1
79 1 8 C H6 1 9 G H8 2.500 2.500 5.000 4.979 4.529 5.051 0.051 9 0 "[ . 1 ]" 1
80 1 9 G H1' 1 9 G H8 2.500 2.500 5.000 3.848 3.709 3.909 . 0 0 "[ . 1 ]" 1
81 1 9 G H2' 1 9 G H8 2.500 2.500 5.000 3.640 3.315 4.080 . 0 0 "[ . 1 ]" 1
82 1 9 G H1' 1 10 G H8 2.500 2.500 5.000 5.029 4.987 5.056 0.056 12 0 "[ . 1 ]" 1
83 1 9 G H2' 1 10 G H8 1.800 . 3.200 2.339 2.326 2.365 . 0 0 "[ . 1 ]" 1
84 1 9 G H2' 1 10 G H1' 2.500 2.500 5.000 3.725 3.113 4.426 . 0 0 "[ . 1 ]" 1
85 1 9 G H3' 1 10 G H8 2.000 . 4.000 3.177 2.666 3.923 . 0 0 "[ . 1 ]" 1
86 1 9 G H4' 1 10 G H8 3.000 3.000 7.000 5.619 5.258 5.913 . 0 0 "[ . 1 ]" 1
87 1 9 G H8 1 10 G H8 2.500 2.500 5.000 4.550 4.032 5.004 0.004 5 0 "[ . 1 ]" 1
88 1 10 G H1' 1 11 U H6 2.500 2.500 5.000 5.000 4.853 5.054 0.054 3 0 "[ . 1 ]" 1
89 1 10 G H1' 1 11 U H5 3.000 3.000 6.000 5.646 5.423 5.897 . 0 0 "[ . 1 ]" 1
90 1 10 G H2' 1 11 U H6 1.800 . 3.200 2.316 2.289 2.339 . 0 0 "[ . 1 ]" 1
91 1 10 G H2' 1 11 U H5 2.000 . 4.000 3.605 3.468 3.693 . 0 0 "[ . 1 ]" 1
92 1 10 G H2' 1 11 U H1' 2.500 2.500 5.000 3.982 3.572 4.744 . 0 0 "[ . 1 ]" 1
93 1 10 G H3' 1 11 U H6 2.000 . 4.000 3.304 2.744 3.662 . 0 0 "[ . 1 ]" 1
94 1 10 G H8 1 11 U H6 2.500 2.500 5.000 4.959 4.757 5.044 0.044 4 0 "[ . 1 ]" 1
95 1 10 G H8 1 11 U H5 2.000 . 4.000 4.020 3.999 4.056 0.056 10 0 "[ . 1 ]" 1
96 1 11 U H1' 1 11 U H6 2.000 . 4.000 3.590 3.544 3.628 . 0 0 "[ . 1 ]" 1
97 1 11 U H2' 1 11 U H6 2.500 2.500 5.000 3.788 3.665 3.956 . 0 0 "[ . 1 ]" 1
98 1 11 U H1' 1 11 U H5 3.000 3.000 7.000 5.358 5.324 5.388 . 0 0 "[ . 1 ]" 1
99 1 11 U H1' 1 12 C H6 2.500 2.500 5.000 5.024 5.001 5.045 0.045 9 0 "[ . 1 ]" 1
100 1 11 U H2' 1 12 C H1' 2.500 2.500 5.000 4.259 3.648 4.627 . 0 0 "[ . 1 ]" 1
101 1 11 U H2' 1 12 C H6 1.800 . 3.200 2.286 2.264 2.321 . 0 0 "[ . 1 ]" 1
102 1 11 U H2' 1 12 C H5 2.000 . 4.000 3.216 2.906 3.517 . 0 0 "[ . 1 ]" 1
103 1 11 U H3' 1 12 C H6 2.000 . 4.000 2.787 2.620 2.961 . 0 0 "[ . 1 ]" 1
104 1 11 U H4' 1 12 C H6 2.500 2.500 5.000 5.127 5.059 5.178 0.178 10 0 "[ . 1 ]" 1
105 1 11 U H6 1 12 C H6 3.000 3.000 7.000 4.896 4.576 5.167 . 0 0 "[ . 1 ]" 1
106 1 11 U H6 1 12 C H5 2.500 2.500 5.000 3.652 2.999 3.966 . 0 0 "[ . 1 ]" 1
107 1 11 U H5 1 12 C H5 2.000 . 4.000 3.834 3.250 4.051 0.051 8 0 "[ . 1 ]" 1
108 1 12 C H1' 1 12 C H6 2.000 . 4.000 3.601 3.493 3.652 . 0 0 "[ . 1 ]" 1
109 1 12 C H2' 1 12 C H6 2.500 2.500 5.000 3.795 3.644 4.088 . 0 0 "[ . 1 ]" 1
110 1 12 C H1' 1 13 U H6 2.500 2.500 5.000 5.040 5.014 5.064 0.064 1 0 "[ . 1 ]" 1
111 1 12 C H2' 1 13 U H1' 3.000 3.000 7.000 3.574 2.929 4.079 0.071 10 0 "[ . 1 ]" 1
112 1 12 C H2' 1 13 U H6 1.800 . 3.200 2.496 2.327 2.708 . 0 0 "[ . 1 ]" 1
113 1 12 C H3' 1 13 U H6 2.000 . 5.000 2.352 2.287 2.802 . 0 0 "[ . 1 ]" 1
114 1 12 C H4' 1 13 U H6 3.000 3.000 7.000 5.161 4.971 5.385 . 0 0 "[ . 1 ]" 1
115 1 12 C H6 1 13 U H6 3.000 3.000 7.000 4.234 3.535 5.195 . 0 0 "[ . 1 ]" 1
116 1 12 C H6 1 13 U H5 2.500 2.500 5.000 3.509 3.143 4.268 . 0 0 "[ . 1 ]" 1
117 1 12 C H5 1 13 U H5 2.000 . 4.000 3.820 3.585 4.036 0.036 9 0 "[ . 1 ]" 1
118 1 13 U H1' 1 13 U H6 2.000 . 4.000 3.523 3.403 3.600 . 0 0 "[ . 1 ]" 1
119 1 13 U H2' 1 13 U H6 2.500 2.500 5.000 3.949 3.752 4.134 . 0 0 "[ . 1 ]" 1
120 1 13 U H1' 1 14 U H5 3.000 3.000 5.000 3.169 2.893 3.717 0.107 3 0 "[ . 1 ]" 1
121 1 13 U H3' 1 14 U H5 3.000 3.000 7.000 4.991 4.476 5.729 . 0 0 "[ . 1 ]" 1
122 1 13 U H4' 1 14 U H5 2.000 . 4.000 2.965 2.317 4.074 0.074 7 0 "[ . 1 ]" 1
123 1 13 U H2' 1 14 U H6 3.000 3.000 7.000 3.519 3.045 3.801 . 0 0 "[ . 1 ]" 1
124 1 13 U H2' 1 14 U H5 2.000 . 4.000 4.148 4.000 4.245 0.245 7 0 "[ . 1 ]" 1
125 1 13 U H6 1 14 U H5 3.000 3.000 7.000 5.821 5.241 6.730 . 0 0 "[ . 1 ]" 1
126 1 13 U H3' 1 15 C H5 3.000 3.000 7.000 4.348 3.156 5.146 . 0 0 "[ . 1 ]" 1
127 1 14 U H1' 1 14 U H6 2.000 . 4.000 3.678 3.219 3.750 . 0 0 "[ . 1 ]" 1
128 1 14 U H2' 1 14 U H6 1.800 . 3.200 2.300 2.215 2.631 . 0 0 "[ . 1 ]" 1
129 1 14 U H2' 1 15 C H6 2.500 2.500 5.000 2.545 2.337 3.534 0.163 8 0 "[ . 1 ]" 1
130 1 14 U H2' 1 15 C H5 2.500 2.500 5.000 3.605 3.001 4.360 . 0 0 "[ . 1 ]" 1
131 1 14 U H6 1 15 C H6 2.000 . 4.000 4.135 3.970 4.232 0.232 12 0 "[ . 1 ]" 1
132 1 14 U H3' 1 15 C H5 2.000 . 4.000 2.614 2.319 3.973 . 0 0 "[ . 1 ]" 1
133 1 14 U H4' 1 15 C H5 2.500 2.500 5.000 4.529 4.345 5.158 0.158 10 0 "[ . 1 ]" 1
134 1 14 U H5' 1 15 C H5 2.000 . 4.000 3.895 2.308 4.122 0.122 9 0 "[ . 1 ]" 1
135 1 14 U H5'' 1 15 C H5 2.000 . 4.000 3.023 2.342 3.529 . 0 0 "[ . 1 ]" 1
136 1 15 C H1' 1 15 C H6 2.500 2.500 5.000 3.369 3.278 3.480 . 0 0 "[ . 1 ]" 1
137 1 15 C H2' 1 15 C H6 2.000 . 4.000 3.645 2.314 3.911 . 0 0 "[ . 1 ]" 1
138 1 15 C H2' 1 15 C H5 2.500 2.500 5.000 5.099 4.520 5.222 0.222 3 0 "[ . 1 ]" 1
139 1 15 C H3' 1 16 G H1' 3.000 3.000 7.000 6.284 5.119 6.981 . 0 0 "[ . 1 ]" 1
140 1 15 C H4' 1 16 G H1' 3.000 3.000 7.000 4.169 2.979 5.315 0.021 2 0 "[ . 1 ]" 1
141 1 15 C H4' 1 16 G H3' 3.000 3.000 7.000 5.434 4.286 7.031 0.031 10 0 "[ . 1 ]" 1
142 1 16 G H1' 1 16 G H8 1.800 . 3.200 3.041 2.878 3.180 . 0 0 "[ . 1 ]" 1
143 1 16 G H2' 1 16 G H8 2.500 2.500 5.000 2.486 2.355 2.770 0.145 12 0 "[ . 1 ]" 1
144 1 16 G H2' 1 17 G H8 2.500 2.500 5.000 3.570 3.184 3.905 . 0 0 "[ . 1 ]" 1
145 1 16 G H3' 1 17 G H8 2.500 2.500 5.000 2.473 2.387 2.557 0.113 10 0 "[ . 1 ]" 1
146 1 16 G H8 1 17 G H8 2.500 2.500 5.000 5.116 5.039 5.248 0.248 12 0 "[ . 1 ]" 1
147 1 17 G H1' 1 17 G H8 2.000 . 4.000 3.849 3.753 3.910 . 0 0 "[ . 1 ]" 1
148 1 17 G H2' 1 17 G H8 2.500 2.500 5.000 3.533 3.195 3.892 . 0 0 "[ . 1 ]" 1
149 1 17 G H1' 1 18 A H8 2.500 2.500 5.000 4.845 4.728 5.002 0.002 4 0 "[ . 1 ]" 1
150 1 17 G H2' 1 18 A H1' 2.500 2.500 5.000 3.776 3.296 4.557 . 0 0 "[ . 1 ]" 1
151 1 17 G H2' 1 18 A H8 1.800 . 3.200 2.321 2.304 2.338 . 0 0 "[ . 1 ]" 1
152 1 17 G H8 1 18 A H8 2.000 . 4.000 4.030 4.019 4.050 0.050 7 0 "[ . 1 ]" 1
153 1 18 A H1' 1 18 A H8 2.500 2.500 5.000 3.815 3.736 3.905 . 0 0 "[ . 1 ]" 1
154 1 18 A H2' 1 18 A H8 2.500 2.500 5.000 3.784 3.376 4.035 . 0 0 "[ . 1 ]" 1
155 1 18 A H1' 1 18 A H2 3.000 3.000 7.000 4.640 4.478 4.768 . 0 0 "[ . 1 ]" 1
156 1 18 A H1' 1 19 C H1' 3.000 3.000 7.000 5.565 4.634 6.392 . 0 0 "[ . 1 ]" 1
157 1 18 A H1' 1 19 C H5 3.000 3.000 7.000 5.865 5.445 6.171 . 0 0 "[ . 1 ]" 1
158 1 18 A H1' 1 19 C H6 2.500 2.500 5.000 5.022 4.953 5.065 0.065 8 0 "[ . 1 ]" 1
159 1 18 A H2' 1 19 C H1' 2.500 2.500 5.000 4.058 3.677 4.466 . 0 0 "[ . 1 ]" 1
160 1 18 A H2' 1 19 C H5 3.000 3.000 7.000 3.677 3.493 3.878 . 0 0 "[ . 1 ]" 1
161 1 18 A H2' 1 19 C H6 2.000 . 4.000 2.309 2.290 2.323 . 0 0 "[ . 1 ]" 1
162 1 18 A H3' 1 19 C H6 2.500 2.500 5.000 3.385 2.863 3.892 . 0 0 "[ . 1 ]" 1
163 1 18 A H8 1 19 C H5 2.500 2.500 5.000 4.123 3.637 4.471 . 0 0 "[ . 1 ]" 1
164 1 18 A H8 1 19 C H6 2.500 2.500 5.000 4.971 4.693 5.028 0.028 9 0 "[ . 1 ]" 1
165 1 18 A H2 1 19 C H1' 2.000 . 4.000 4.028 4.014 4.047 0.047 10 0 "[ . 1 ]" 1
166 1 18 A H2 1 19 C H6 3.000 3.000 7.000 5.892 5.130 6.450 . 0 0 "[ . 1 ]" 1
167 1 12 C H1' 1 18 A H2 2.000 . 4.000 4.042 3.975 4.111 0.111 10 0 "[ . 1 ]" 1
168 1 19 C H1' 1 19 C H6 2.000 . 4.000 3.645 3.591 3.690 . 0 0 "[ . 1 ]" 1
169 1 19 C H2' 1 19 C H6 2.500 2.500 5.000 3.591 3.332 3.839 . 0 0 "[ . 1 ]" 1
170 1 19 C H1' 1 19 C H5 3.000 3.000 7.000 5.382 5.339 5.417 . 0 0 "[ . 1 ]" 1
171 1 19 C H1' 1 20 C H1' 3.000 3.000 7.000 6.800 6.263 7.029 0.029 6 0 "[ . 1 ]" 1
172 1 19 C H1' 1 20 C H5 3.000 3.000 7.000 5.002 4.788 5.285 . 0 0 "[ . 1 ]" 1
173 1 19 C H1' 1 20 C H6 2.500 2.500 5.000 5.054 5.027 5.068 0.068 9 0 "[ . 1 ]" 1
174 1 19 C H2' 1 20 C H1' 2.500 2.500 5.000 4.573 4.076 4.844 . 0 0 "[ . 1 ]" 1
175 1 19 C H2' 1 20 C H5 2.500 2.500 5.000 2.773 2.497 3.163 0.003 6 0 "[ . 1 ]" 1
176 1 19 C H2' 1 20 C H6 2.000 . 4.000 2.317 2.274 2.344 . 0 0 "[ . 1 ]" 1
177 1 19 C H3' 1 20 C H6 2.500 2.500 5.000 2.965 2.773 3.187 . 0 0 "[ . 1 ]" 1
178 1 19 C H4' 1 20 C H6 2.500 2.500 5.000 5.094 5.067 5.160 0.160 5 0 "[ . 1 ]" 1
179 1 19 C H5 1 20 C H5 2.500 2.500 5.000 3.918 3.563 4.287 . 0 0 "[ . 1 ]" 1
180 1 19 C H5 1 20 C H6 3.000 3.000 7.000 6.127 5.892 6.409 . 0 0 "[ . 1 ]" 1
181 1 19 C H6 1 20 C H5 2.500 2.500 5.000 3.442 3.022 3.927 . 0 0 "[ . 1 ]" 1
182 1 19 C H6 1 20 C H6 2.500 2.500 5.000 4.931 4.705 5.049 0.049 5 0 "[ . 1 ]" 1
183 1 20 C H1' 1 20 C H6 2.000 . 4.000 3.556 3.515 3.594 . 0 0 "[ . 1 ]" 1
184 1 20 C H2' 1 20 C H6 2.500 2.500 5.000 3.936 3.782 4.039 . 0 0 "[ . 1 ]" 1
185 1 20 C H1' 1 20 C H5 3.000 3.000 7.000 5.315 5.287 5.342 . 0 0 "[ . 1 ]" 1
186 1 20 C H1' 1 21 G H8 2.500 2.500 5.000 4.979 4.871 5.050 0.050 5 0 "[ . 1 ]" 1
187 1 20 C H2' 1 21 G H1' 2.500 2.500 5.000 4.324 3.723 4.995 . 0 0 "[ . 1 ]" 1
188 1 20 C H2' 1 21 G H8 1.800 . 3.200 2.357 2.318 2.536 . 0 0 "[ . 1 ]" 1
189 1 20 C H3' 1 21 G H8 2.000 . 4.000 3.192 2.844 3.643 . 0 0 "[ . 1 ]" 1
190 1 20 C H5 1 21 G H8 3.000 3.000 7.000 5.590 5.177 5.857 . 0 0 "[ . 1 ]" 1
191 1 20 C H6 1 21 G H8 2.500 2.500 5.000 5.002 4.812 5.051 0.051 12 0 "[ . 1 ]" 1
192 1 21 G H1' 1 21 G H8 2.000 . 4.000 3.872 3.800 3.918 . 0 0 "[ . 1 ]" 1
193 1 21 G H2' 1 21 G H8 2.500 2.500 5.000 3.457 2.930 3.894 . 0 0 "[ . 1 ]" 1
194 1 21 G H1' 1 22 G H8 2.000 . 5.000 4.954 4.553 5.045 0.045 3 0 "[ . 1 ]" 1
195 1 21 G H2' 1 22 G H1' 3.000 3.000 7.000 4.967 4.638 5.347 . 0 0 "[ . 1 ]" 1
196 1 21 G H2' 1 22 G H8 1.800 . 3.200 2.320 2.289 2.339 . 0 0 "[ . 1 ]" 1
197 1 21 G H3' 1 22 G H8 2.000 . 4.000 3.247 2.877 3.829 . 0 0 "[ . 1 ]" 1
198 1 21 G H4' 1 22 G H8 2.500 2.500 5.000 5.073 5.018 5.161 0.161 11 0 "[ . 1 ]" 1
199 1 21 G H8 1 22 G H8 2.500 2.500 5.000 5.032 5.014 5.048 0.048 8 0 "[ . 1 ]" 1
200 1 22 G H1' 1 22 G H8 2.000 . 4.000 3.789 3.728 3.820 . 0 0 "[ . 1 ]" 1
201 1 22 G H2' 1 22 G H8 2.500 2.500 5.000 3.953 3.822 4.101 . 0 0 "[ . 1 ]" 1
202 1 22 G H3' 1 22 G H8 2.500 2.500 5.000 2.920 2.715 3.150 . 0 0 "[ . 1 ]" 1
203 1 22 G H1' 1 23 C H1' 3.000 3.000 7.000 5.481 4.973 6.207 . 0 0 "[ . 1 ]" 1
204 1 22 G H1' 1 23 C H5 3.000 3.000 7.000 5.797 5.502 6.149 . 0 0 "[ . 1 ]" 1
205 1 22 G H1' 1 23 C H6 2.500 2.500 5.000 5.018 4.988 5.035 0.035 1 0 "[ . 1 ]" 1
206 1 22 G H2' 1 23 C H1' 2.500 2.500 5.000 3.710 3.305 4.238 . 0 0 "[ . 1 ]" 1
207 1 22 G H2' 1 23 C H5 2.500 2.500 5.000 3.797 3.572 4.053 . 0 0 "[ . 1 ]" 1
208 1 22 G H2' 1 23 C H6 2.000 . 4.000 2.332 2.322 2.346 . 0 0 "[ . 1 ]" 1
209 1 22 G H3' 1 23 C H6 2.500 2.500 5.000 2.957 2.710 3.234 . 0 0 "[ . 1 ]" 1
210 1 22 G H8 1 23 C H5 2.500 2.500 5.000 3.986 3.560 4.534 . 0 0 "[ . 1 ]" 1
211 1 22 G H8 1 23 C H6 2.500 2.500 5.000 4.871 4.478 5.016 0.016 6 0 "[ . 1 ]" 1
212 1 23 C H1' 1 23 C H6 2.000 . 4.000 3.602 3.572 3.640 . 0 0 "[ . 1 ]" 1
213 1 23 C H2' 1 23 C H6 2.500 2.500 5.000 3.736 3.596 3.868 . 0 0 "[ . 1 ]" 1
214 1 23 C H1' 1 23 C H5 3.000 3.000 7.000 5.350 5.327 5.379 . 0 0 "[ . 1 ]" 1
215 1 23 C H1' 1 24 U H5 3.000 3.000 7.000 5.726 5.545 6.283 . 0 0 "[ . 1 ]" 1
216 1 23 C H1' 1 24 U H6 2.500 2.500 5.000 5.071 5.041 5.090 0.090 12 0 "[ . 1 ]" 1
217 1 23 C H2' 1 24 U H1' 3.000 3.000 7.000 3.883 3.443 4.213 . 0 0 "[ . 1 ]" 1
218 1 23 C H2' 1 24 U H5 3.000 3.000 7.000 3.507 3.227 3.960 . 0 0 "[ . 1 ]" 1
219 1 23 C H2' 1 24 U H6 1.800 . 3.200 2.306 2.296 2.314 . 0 0 "[ . 1 ]" 1
220 1 23 C H3' 1 24 U H6 2.500 2.500 5.000 2.940 2.692 3.322 . 0 0 "[ . 1 ]" 1
221 1 23 C H5 1 24 U H5 2.500 2.500 5.000 4.217 3.915 4.502 . 0 0 "[ . 1 ]" 1
222 1 23 C H5 1 24 U H6 3.000 3.000 7.000 5.942 5.697 6.173 . 0 0 "[ . 1 ]" 1
223 1 23 C H6 1 24 U H5 3.000 3.000 7.000 4.101 3.879 4.582 . 0 0 "[ . 1 ]" 1
224 1 23 C H6 1 24 U H6 2.500 2.500 5.000 4.962 4.818 5.021 0.021 9 0 "[ . 1 ]" 1
225 1 24 U H1' 1 24 U H6 2.500 2.500 5.000 3.562 3.524 3.616 . 0 0 "[ . 1 ]" 1
226 1 24 U H2' 1 24 U H6 2.500 2.500 5.000 3.828 3.686 3.964 . 0 0 "[ . 1 ]" 1
227 1 24 U H1' 1 24 U H5 3.000 3.000 7.000 5.337 5.309 5.377 . 0 0 "[ . 1 ]" 1
228 1 24 U H1' 1 25 U H5 3.000 3.000 7.000 5.814 5.349 6.368 . 0 0 "[ . 1 ]" 1
229 1 24 U H1' 1 25 U H6 2.500 2.500 5.000 5.026 4.984 5.064 0.064 3 0 "[ . 1 ]" 1
230 1 24 U H2' 1 25 U H1' 3.000 3.000 7.000 4.275 3.690 4.629 . 0 0 "[ . 1 ]" 1
231 1 24 U H2' 1 25 U H5 3.000 3.000 7.000 3.225 2.998 3.687 0.002 3 0 "[ . 1 ]" 1
232 1 24 U H2' 1 25 U H6 1.800 . 3.200 2.341 2.314 2.418 . 0 0 "[ . 1 ]" 1
233 1 24 U H3' 1 25 U H6 2.000 . 4.000 3.649 3.305 3.947 . 0 0 "[ . 1 ]" 1
234 1 24 U H5 1 25 U H5 3.000 3.000 7.000 5.476 4.442 6.197 . 0 0 "[ . 1 ]" 1
235 1 24 U H5 1 25 U H6 3.000 3.000 7.000 6.857 6.407 7.012 0.012 1 0 "[ . 1 ]" 1
236 1 24 U H6 1 25 U H5 3.000 3.000 7.000 5.158 4.126 5.877 . 0 0 "[ . 1 ]" 1
237 1 24 U H6 1 25 U H6 3.000 3.000 7.000 5.809 5.325 5.975 . 0 0 "[ . 1 ]" 1
238 1 25 U H1' 1 25 U H6 2.500 2.500 5.000 3.605 3.573 3.673 . 0 0 "[ . 1 ]" 1
239 1 25 U H2' 1 25 U H6 2.500 2.500 5.000 3.750 3.434 3.868 . 0 0 "[ . 1 ]" 1
240 1 25 U H1' 1 25 U H5 3.000 3.000 7.000 5.373 5.347 5.425 . 0 0 "[ . 1 ]" 1
241 1 25 U H1' 1 26 C H6 2.500 2.500 5.000 5.016 4.964 5.051 0.051 2 0 "[ . 1 ]" 1
242 1 25 U H2' 1 26 C H1' 3.000 3.000 7.000 4.122 3.536 4.903 . 0 0 "[ . 1 ]" 1
243 1 25 U H2' 1 26 C H5 3.000 3.000 7.000 3.768 3.543 4.095 . 0 0 "[ . 1 ]" 1
244 1 25 U H2' 1 26 C H6 2.000 . 4.000 2.331 2.309 2.345 . 0 0 "[ . 1 ]" 1
245 1 25 U H3' 1 26 C H6 2.500 2.500 5.000 3.082 2.818 3.498 . 0 0 "[ . 1 ]" 1
246 1 25 U H5 1 26 C H5 2.500 2.500 5.000 3.899 3.076 4.691 . 0 0 "[ . 1 ]" 1
247 1 25 U H5 1 26 C H6 3.000 3.000 7.000 5.599 5.171 5.824 . 0 0 "[ . 1 ]" 1
248 1 25 U H6 1 26 C H5 2.500 2.500 5.000 4.123 3.299 4.913 . 0 0 "[ . 1 ]" 1
249 1 25 U H6 1 26 C H6 2.500 2.500 5.000 4.826 4.353 5.015 0.015 1 0 "[ . 1 ]" 1
250 1 26 C H1' 1 26 C H6 2.500 2.500 5.000 3.588 3.561 3.645 . 0 0 "[ . 1 ]" 1
251 1 26 C H2' 1 26 C H6 2.500 2.500 5.000 3.745 3.551 3.834 . 0 0 "[ . 1 ]" 1
252 1 26 C H1' 1 27 C H6 2.500 2.500 5.000 4.995 4.944 5.026 0.026 12 0 "[ . 1 ]" 1
253 1 26 C H2' 1 27 C H1' 3.000 3.000 7.000 4.749 3.793 5.554 . 0 0 "[ . 1 ]" 1
254 1 26 C H2' 1 27 C H5 2.500 2.500 5.000 4.094 3.579 4.913 . 0 0 "[ . 1 ]" 1
255 1 26 C H2' 1 27 C H6 2.000 . 4.000 2.517 2.342 2.937 . 0 0 "[ . 1 ]" 1
256 1 26 C H3' 1 27 C H6 2.500 2.500 5.000 3.574 2.852 4.182 . 0 0 "[ . 1 ]" 1
257 1 26 C H4' 1 27 C H6 3.000 3.000 7.000 6.051 5.590 6.534 . 0 0 "[ . 1 ]" 1
258 1 26 C H5 1 27 C H5 2.500 2.500 5.000 3.339 2.770 3.679 . 0 0 "[ . 1 ]" 1
259 1 26 C H6 1 27 C H5 2.500 2.500 5.000 4.073 3.479 4.762 . 0 0 "[ . 1 ]" 1
260 1 26 C H6 1 27 C H6 2.500 2.500 5.000 4.660 3.959 5.006 0.006 1 0 "[ . 1 ]" 1
261 1 27 C H1' 1 27 C H6 . 3.000 5.000 3.490 3.431 3.552 . 0 0 "[ . 1 ]" 1
262 1 27 C H2' 1 27 C H6 2.500 2.500 5.000 4.046 3.878 4.190 . 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 12
_Distance_constraint_stats_list.Viol_count 13
_Distance_constraint_stats_list.Viol_total 1.119
_Distance_constraint_stats_list.Viol_max 0.019
_Distance_constraint_stats_list.Viol_rms 0.0027
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0072
_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 5 G 0.000 0.000 . 0 "[ . 1 ]"
1 9 G 0.000 0.000 . 0 "[ . 1 ]"
1 10 G 0.000 0.000 . 0 "[ . 1 ]"
1 11 U 0.057 0.019 12 0 "[ . 1 ]"
1 19 C 0.000 0.000 . 0 "[ . 1 ]"
1 20 C 0.000 0.000 . 0 "[ . 1 ]"
1 21 G 0.002 0.002 6 0 "[ . 1 ]"
1 22 G 0.000 0.000 . 0 "[ . 1 ]"
1 23 C 0.035 0.014 12 0 "[ . 1 ]"
1 24 U 0.000 0.000 . 0 "[ . 1 ]"
2 1 NCO 0.093 0.019 12 0 "[ . 1 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 G H1 2 1 NCO CO 4.300 4.300 9.300 6.746 6.400 7.322 . 0 0 "[ . 1 ]" 2
2 1 9 G H1 2 1 NCO CO 4.300 4.300 9.300 7.389 7.042 7.765 . 0 0 "[ . 1 ]" 2
3 1 10 G H1 2 1 NCO CO 4.300 4.300 9.300 8.356 7.888 8.687 . 0 0 "[ . 1 ]" 2
4 1 21 G H1 2 1 NCO CO 4.300 4.300 9.300 7.300 6.640 8.236 . 0 0 "[ . 1 ]" 2
5 1 11 U H3 2 1 NCO CO 4.300 4.300 11.300 11.212 11.021 11.319 0.019 12 0 "[ . 1 ]" 2
6 1 24 U H3 2 1 NCO CO 4.300 4.300 11.300 7.963 6.884 8.853 . 0 0 "[ . 1 ]" 2
7 1 21 G H8 2 1 NCO CO 4.300 4.300 9.300 5.497 4.298 6.309 0.002 6 0 "[ . 1 ]" 2
8 1 20 C H6 2 1 NCO CO 4.300 4.300 9.300 6.270 5.774 6.801 . 0 0 "[ . 1 ]" 2
9 1 23 C H6 2 1 NCO CO 4.300 4.300 9.300 9.206 8.727 9.314 0.014 12 0 "[ . 1 ]" 2
10 1 5 G H8 2 1 NCO CO 4.300 4.300 11.300 7.132 6.224 8.073 . 0 0 "[ . 1 ]" 2
11 1 19 C H6 2 1 NCO CO 4.300 4.300 11.300 6.948 5.894 7.920 . 0 0 "[ . 1 ]" 2
12 1 22 G H8 2 1 NCO CO 4.300 4.300 11.300 7.638 6.452 8.592 . 0 0 "[ . 1 ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 49
_Distance_constraint_stats_list.Viol_count 312
_Distance_constraint_stats_list.Viol_total 65.921
_Distance_constraint_stats_list.Viol_max 0.095
_Distance_constraint_stats_list.Viol_rms 0.0138
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0093
_Distance_constraint_stats_list.Viol_average_violations_only 0.0176
_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 0.297 0.033 12 0 "[ . 1 ]"
1 2 G 0.207 0.023 6 0 "[ . 1 ]"
1 3 A 0.205 0.027 6 0 "[ . 1 ]"
1 4 A 0.210 0.024 7 0 "[ . 1 ]"
1 5 G 0.414 0.028 12 0 "[ . 1 ]"
1 6 U 0.327 0.032 11 0 "[ . 1 ]"
1 8 C 0.282 0.048 4 0 "[ . 1 ]"
1 9 G 0.221 0.046 5 0 "[ . 1 ]"
1 10 G 0.839 0.073 5 0 "[ . 1 ]"
1 11 U 0.884 0.095 10 0 "[ . 1 ]"
1 12 C 0.907 0.078 8 0 "[ . 1 ]"
1 13 U 0.700 0.063 10 0 "[ . 1 ]"
1 16 G 0.700 0.063 10 0 "[ . 1 ]"
1 17 G 0.907 0.078 8 0 "[ . 1 ]"
1 18 A 0.884 0.095 10 0 "[ . 1 ]"
1 19 C 0.839 0.073 5 0 "[ . 1 ]"
1 20 C 0.221 0.046 5 0 "[ . 1 ]"
1 21 G 0.282 0.048 4 0 "[ . 1 ]"
1 22 G 0.327 0.032 11 0 "[ . 1 ]"
1 23 C 0.414 0.028 12 0 "[ . 1 ]"
1 24 U 0.210 0.024 7 0 "[ . 1 ]"
1 25 U 0.205 0.027 6 0 "[ . 1 ]"
1 26 C 0.207 0.023 6 0 "[ . 1 ]"
1 27 C 0.297 0.033 12 0 "[ . 1 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 G O6 1 27 C H41 1.700 . 1.800 1.755 1.601 1.812 0.012 3 0 "[ . 1 ]" 3
2 1 1 G H21 1 27 C N3 3.000 2.900 3.100 2.969 2.890 3.112 0.012 2 0 "[ . 1 ]" 3
3 1 1 G H21 1 27 C O2 2.000 . 2.100 1.981 1.887 2.133 0.033 12 0 "[ . 1 ]" 3
4 1 1 G H1 1 27 C N3 1.900 . 2.000 1.952 1.793 2.029 0.029 5 0 "[ . 1 ]" 3
5 1 2 G O6 1 26 C H41 1.700 . 1.800 1.722 1.588 1.819 0.019 6 0 "[ . 1 ]" 3
6 1 2 G H21 1 26 C N3 3.000 2.900 3.100 3.102 3.045 3.122 0.022 10 0 "[ . 1 ]" 3
7 1 2 G H21 1 26 C O2 2.000 . 2.100 1.995 1.892 2.123 0.023 6 0 "[ . 1 ]" 3
8 1 2 G H1 1 26 C N3 1.900 . 2.000 1.889 1.851 2.002 0.002 2 0 "[ . 1 ]" 3
9 1 3 A H2 1 25 U O2 3.200 3.100 3.300 3.222 3.083 3.327 0.027 6 0 "[ . 1 ]" 3
10 1 3 A N1 1 25 U H3 1.900 . 2.000 1.904 1.776 2.009 0.024 6 0 "[ . 1 ]" 3
11 1 3 A H61 1 25 U O4 1.800 . 1.900 1.787 1.687 1.907 0.013 12 0 "[ . 1 ]" 3
12 1 3 A H2 1 25 U H3 2.900 2.800 3.000 2.874 2.787 3.006 0.013 10 0 "[ . 1 ]" 3
13 1 4 A H2 1 24 U O2 3.200 3.100 3.300 3.101 3.076 3.139 0.024 7 0 "[ . 1 ]" 3
14 1 4 A N1 1 24 U H3 1.900 . 2.000 1.969 1.894 2.019 0.019 11 0 "[ . 1 ]" 3
15 1 4 A H61 1 24 U O4 1.800 . 1.900 1.862 1.704 1.916 0.016 12 0 "[ . 1 ]" 3
16 1 4 A H2 1 24 U H3 2.900 2.800 3.000 2.974 2.828 3.018 0.018 7 0 "[ . 1 ]" 3
17 1 5 G O6 1 23 C H41 1.700 . 1.800 1.807 1.754 1.828 0.028 12 0 "[ . 1 ]" 3
18 1 5 G H21 1 23 C N3 3.000 2.900 3.100 2.895 2.884 2.925 0.016 9 0 "[ . 1 ]" 3
19 1 5 G H21 1 23 C O2 2.000 . 2.100 2.111 2.100 2.123 0.023 3 0 "[ . 1 ]" 3
20 1 5 G H1 1 23 C N3 1.900 . 2.000 1.854 1.773 1.969 0.027 6 0 "[ . 1 ]" 3
21 1 6 U O2 1 22 G H1 1.800 . 1.900 1.887 1.752 1.926 0.026 7 0 "[ . 1 ]" 3
22 1 6 U H3 1 22 G H1 2.600 2.500 2.700 2.562 2.487 2.644 0.013 11 0 "[ . 1 ]" 3
23 1 6 U H3 1 22 G O6 1.900 . 2.000 1.997 1.908 2.032 0.032 11 0 "[ . 1 ]" 3
24 1 6 U O2 1 22 G O6 3.700 3.600 3.800 3.614 3.589 3.688 0.011 8 0 "[ . 1 ]" 3
25 1 6 U N3 1 22 G N1 3.700 3.600 3.800 3.772 3.706 3.810 0.010 6 0 "[ . 1 ]" 3
26 1 8 C H41 1 21 G O6 1.700 . 1.800 1.729 1.593 1.832 0.032 7 0 "[ . 1 ]" 3
27 1 8 C N3 1 21 G H21 3.000 2.900 3.100 2.977 2.879 3.116 0.021 6 0 "[ . 1 ]" 3
28 1 8 C O2 1 21 G H21 2.000 . 2.100 2.013 1.885 2.114 0.015 9 0 "[ . 1 ]" 3
29 1 8 C N3 1 21 G H1 1.900 . 2.000 1.947 1.825 2.048 0.048 4 0 "[ . 1 ]" 3
30 1 9 G O6 1 20 C H41 1.700 . 1.800 1.794 1.622 1.846 0.046 5 0 "[ . 1 ]" 3
31 1 9 G H21 1 20 C N3 3.000 2.900 3.100 3.005 2.888 3.108 0.012 2 0 "[ . 1 ]" 3
32 1 9 G H21 1 20 C O2 2.000 . 2.100 1.979 1.894 2.119 0.019 9 0 "[ . 1 ]" 3
33 1 9 G H1 1 20 C N3 1.900 . 2.000 1.907 1.786 2.001 0.014 12 0 "[ . 1 ]" 3
34 1 10 G O6 1 19 C H41 1.700 . 1.800 1.822 1.795 1.841 0.041 4 0 "[ . 1 ]" 3
35 1 10 G H21 1 19 C N3 3.000 2.900 3.100 2.944 2.897 3.099 0.003 11 0 "[ . 1 ]" 3
36 1 10 G H21 1 19 C O2 2.000 . 2.100 2.136 2.113 2.173 0.073 5 0 "[ . 1 ]" 3
37 1 10 G H1 1 19 C N3 1.900 . 2.000 1.842 1.770 2.003 0.030 11 0 "[ . 1 ]" 3
38 1 11 U O2 1 18 A H2 3.200 3.100 3.300 3.154 3.060 3.305 0.040 2 0 "[ . 1 ]" 3
39 1 11 U H3 1 18 A N1 1.900 . 2.000 2.008 1.877 2.095 0.095 10 0 "[ . 1 ]" 3
40 1 11 U O4 1 18 A H61 1.800 . 1.900 1.716 1.670 1.937 0.037 10 0 "[ . 1 ]" 3
41 1 11 U H3 1 18 A H2 2.900 2.800 3.000 3.005 2.853 3.049 0.049 8 0 "[ . 1 ]" 3
42 1 12 C H41 1 17 G O6 1.700 . 1.800 1.826 1.786 1.850 0.050 10 0 "[ . 1 ]" 3
43 1 12 C N3 1 17 G H21 3.000 2.900 3.100 3.133 3.067 3.178 0.078 8 0 "[ . 1 ]" 3
44 1 12 C O2 1 17 G H21 2.000 . 2.100 1.922 1.869 2.091 0.031 8 0 "[ . 1 ]" 3
45 1 12 C N3 1 17 G H1 1.900 . 2.000 1.918 1.846 1.990 . 0 0 "[ . 1 ]" 3
46 1 13 U O2 1 16 G H1 1.900 . 2.100 1.880 1.725 2.110 0.010 9 0 "[ . 1 ]" 3
47 1 13 U O2 1 16 G H21 2.400 2.200 2.600 2.534 2.181 2.642 0.042 1 0 "[ . 1 ]" 3
48 1 13 U H3 1 16 G H21 3.800 3.600 4.000 3.855 3.593 4.049 0.049 3 0 "[ . 1 ]" 3
49 1 13 U H3 1 16 G H1 4.400 4.200 4.600 4.190 4.137 4.370 0.063 10 0 "[ . 1 ]" 3
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