NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
373835 |
1e4p   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1e4p
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 202
_Distance_constraint_stats_list.Viol_count 1014
_Distance_constraint_stats_list.Viol_total 2798.841
_Distance_constraint_stats_list.Viol_max 0.715
_Distance_constraint_stats_list.Viol_rms 0.0836
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0346
_Distance_constraint_stats_list.Viol_average_violations_only 0.1380
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 G 0.009 0.009 13 0 "[ . 1 . 2]"
1 2 U 4.179 0.193 14 0 "[ . 1 . 2]"
1 3 G 4.761 0.259 18 0 "[ . 1 . 2]"
1 4 C 5.309 0.259 18 0 "[ . 1 . 2]"
1 5 G 1.328 0.166 20 0 "[ . 1 . 2]"
1 6 A 0.843 0.207 9 0 "[ . 1 . 2]"
1 7 A 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 G 5.166 0.266 12 0 "[ . 1 . 2]"
1 9 A 12.352 0.290 3 0 "[ . 1 . 2]"
1 10 C 17.659 0.327 1 0 "[ . 1 . 2]"
1 11 G 1.653 0.088 10 0 "[ . 1 . 2]"
1 12 A 5.538 0.493 11 0 "[ . 1 . 2]"
1 13 A 15.283 0.575 10 20 [*********+-*********]
1 14 A 8.878 0.715 10 5 "[ * . +-* * 2]"
1 15 G 9.887 0.227 3 0 "[ . 1 . 2]"
1 16 U 15.128 0.227 3 0 "[ . 1 . 2]"
1 17 C 13.861 0.319 6 0 "[ . 1 . 2]"
1 18 C 4.397 0.228 6 0 "[ . 1 . 2]"
1 19 G 2.604 0.227 18 0 "[ . 1 . 2]"
1 20 A 0.018 0.018 2 0 "[ . 1 . 2]"
1 21 G 7.215 0.220 14 0 "[ . 1 . 2]"
1 22 C 13.561 0.297 20 0 "[ . 1 . 2]"
1 23 G 21.690 0.431 20 0 "[ . 1 . 2]"
1 24 C 16.186 0.307 2 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 G H1' 1 1 G H8 3.800 3.000 4.600 3.789 3.727 3.854 . 0 0 "[ . 1 . 2]" 1
2 1 1 G H2' 1 1 G H8 4.300 3.400 5.200 3.660 3.391 3.878 0.009 13 0 "[ . 1 . 2]" 1
3 1 2 U H1' 1 2 U H6 5.500 4.000 7.000 3.813 3.807 3.819 0.193 14 0 "[ . 1 . 2]" 1
4 1 2 U H2' 1 2 U H6 4.500 3.000 6.000 3.015 2.970 3.082 0.030 11 0 "[ . 1 . 2]" 1
5 1 2 U H3' 1 2 U H6 3.500 2.500 4.500 2.569 2.531 2.594 . 0 0 "[ . 1 . 2]" 1
6 1 3 G H1' 1 3 G Q5' 4.000 3.200 4.800 4.369 4.322 4.413 . 0 0 "[ . 1 . 2]" 1
7 1 3 G H1' 1 3 G H8 3.900 3.100 4.700 3.859 3.700 3.889 . 0 0 "[ . 1 . 2]" 1
8 1 3 G H3' 1 3 G H8 3.000 2.400 3.600 2.628 2.481 3.244 . 0 0 "[ . 1 . 2]" 1
9 1 9 A H1' 1 9 A H2 4.600 3.700 5.500 4.715 4.677 4.763 . 0 0 "[ . 1 . 2]" 1
10 1 9 A H1' 1 9 A H8 3.400 2.700 4.100 3.795 3.769 3.818 . 0 0 "[ . 1 . 2]" 1
11 1 9 A H2' 1 9 A H8 5.500 4.000 7.000 3.853 3.782 3.894 0.218 13 0 "[ . 1 . 2]" 1
12 1 9 A H3' 1 9 A H8 2.800 2.200 3.400 3.322 3.084 3.448 0.048 11 0 "[ . 1 . 2]" 1
13 1 10 C Q5' 1 10 C H6 3.400 2.700 4.100 3.419 3.357 3.471 . 0 0 "[ . 1 . 2]" 1
14 1 10 C H1' 1 10 C H6 3.600 2.900 4.300 3.700 3.691 3.711 . 0 0 "[ . 1 . 2]" 1
15 1 10 C H2' 1 10 C H5 3.600 2.900 4.300 4.504 4.478 4.532 0.232 13 0 "[ . 1 . 2]" 1
16 1 10 C H3' 1 10 C H5 3.400 2.700 4.100 4.369 4.321 4.427 0.327 1 0 "[ . 1 . 2]" 1
17 1 10 C H2' 1 10 C H6 2.800 2.200 3.400 3.217 3.172 3.295 . 0 0 "[ . 1 . 2]" 1
18 1 10 C H3' 1 10 C H6 2.600 2.100 3.100 2.528 2.481 2.567 . 0 0 "[ . 1 . 2]" 1
19 1 11 G H1' 1 11 G H8 4.200 3.400 5.000 3.811 3.717 3.891 . 0 0 "[ . 1 . 2]" 1
20 1 11 G H2' 1 11 G H8 3.500 2.500 4.500 3.656 3.301 4.020 . 0 0 "[ . 1 . 2]" 1
21 1 11 G H3' 1 11 G H8 3.000 2.400 3.600 3.164 2.755 3.589 . 0 0 "[ . 1 . 2]" 1
22 1 12 A Q5' 1 12 A H8 3.800 3.000 4.600 3.135 2.507 3.447 0.493 11 0 "[ . 1 . 2]" 1
23 1 12 A H4' 1 12 A H8 3.400 2.700 4.100 4.239 4.213 4.293 0.193 11 0 "[ . 1 . 2]" 1
24 1 12 A H1' 1 12 A H2 4.500 3.600 5.400 4.717 4.672 4.829 . 0 0 "[ . 1 . 2]" 1
25 1 12 A H1' 1 12 A H8 3.300 2.600 4.000 3.782 3.706 3.811 . 0 0 "[ . 1 . 2]" 1
26 1 12 A H2' 1 12 A H8 3.600 2.900 4.300 3.688 3.588 3.874 . 0 0 "[ . 1 . 2]" 1
27 1 12 A H3' 1 12 A H8 3.200 2.600 3.800 3.351 3.178 3.834 0.034 11 0 "[ . 1 . 2]" 1
28 1 13 A Q5' 1 13 A H8 4.000 3.200 4.100 2.649 2.625 2.674 0.575 10 20 [*********+-*********] 1
29 1 13 A H1' 1 13 A H2 4.700 3.800 5.600 4.794 4.704 4.834 . 0 0 "[ . 1 . 2]" 1
30 1 13 A H1' 1 13 A H8 3.500 2.800 4.200 3.754 3.735 3.797 . 0 0 "[ . 1 . 2]" 1
31 1 13 A H2' 1 13 A H8 3.600 2.900 4.300 3.877 3.656 3.984 . 0 0 "[ . 1 . 2]" 1
32 1 13 A H3' 1 13 A H8 2.900 2.300 3.500 3.593 3.544 3.705 0.205 10 0 "[ . 1 . 2]" 1
33 1 13 A H4' 1 13 A H8 4.100 3.300 4.900 4.431 4.378 4.470 . 0 0 "[ . 1 . 2]" 1
34 1 14 A H1' 1 14 A Q5' 4.200 3.400 4.900 4.390 4.351 4.427 . 0 0 "[ . 1 . 2]" 1
35 1 14 A Q5' 1 14 A H8 4.600 3.700 5.500 3.448 2.985 3.758 0.715 10 5 "[ * . +-* * 2]" 1
36 1 14 A H1' 1 14 A H8 3.200 2.600 3.800 3.834 3.721 3.859 0.059 20 0 "[ . 1 . 2]" 1
37 1 14 A H2' 1 14 A H8 4.300 3.400 5.200 3.550 3.384 3.971 0.016 1 0 "[ . 1 . 2]" 1
38 1 14 A H3' 1 14 A H8 2.800 2.200 3.400 3.024 2.775 3.511 0.111 11 0 "[ . 1 . 2]" 1
39 1 14 A H4' 1 14 A H8 4.300 3.400 5.200 4.447 4.337 4.589 . 0 0 "[ . 1 . 2]" 1
40 1 15 G H5' 1 15 G H8 3.500 2.500 4.500 4.085 3.806 4.241 . 0 0 "[ . 1 . 2]" 1
41 1 15 G H4' 1 15 G H8 3.500 2.500 4.500 4.403 4.277 4.468 . 0 0 "[ . 1 . 2]" 1
42 1 15 G H1' 1 15 G H8 3.900 3.100 4.700 3.841 3.816 3.873 . 0 0 "[ . 1 . 2]" 1
43 1 15 G H2' 1 15 G H8 3.000 2.400 3.600 3.557 3.403 3.638 0.038 13 0 "[ . 1 . 2]" 1
44 1 15 G H3' 1 15 G H8 2.900 2.300 3.500 3.034 2.686 3.254 . 0 0 "[ . 1 . 2]" 1
45 1 16 U H1' 1 16 U H6 3.200 2.600 3.800 3.731 3.717 3.741 . 0 0 "[ . 1 . 2]" 1
46 1 16 U H3' 1 16 U H5 3.400 2.700 4.100 4.277 4.252 4.313 0.213 6 0 "[ . 1 . 2]" 1
47 1 16 U H3' 1 16 U H6 2.700 2.200 3.200 2.476 2.433 2.527 . 0 0 "[ . 1 . 2]" 1
48 1 17 C H1' 1 17 C H2' 2.500 . 3.000 2.774 2.763 2.785 . 0 0 "[ . 1 . 2]" 1
49 1 22 C H1' 1 22 C Q5' 3.900 3.100 4.700 4.349 4.278 4.421 . 0 0 "[ . 1 . 2]" 1
50 1 22 C Q5' 1 22 C H6 3.100 2.500 3.700 3.166 3.090 3.285 . 0 0 "[ . 1 . 2]" 1
51 1 22 C H1' 1 22 C H6 3.700 3.000 4.400 3.697 3.674 3.715 . 0 0 "[ . 1 . 2]" 1
52 1 22 C H2' 1 22 C H6 3.400 2.700 4.100 3.441 3.230 3.552 . 0 0 "[ . 1 . 2]" 1
53 1 22 C H3' 1 22 C H5 3.500 2.800 4.200 4.381 4.342 4.409 0.209 5 0 "[ . 1 . 2]" 1
54 1 22 C H3' 1 22 C H6 2.500 . 3.000 2.535 2.407 2.610 . 0 0 "[ . 1 . 2]" 1
55 1 22 C H4' 1 22 C H6 3.500 2.800 4.200 4.008 3.951 4.088 . 0 0 "[ . 1 . 2]" 1
56 1 23 G H1' 1 23 G Q5' . 4.100 4.600 4.298 4.275 4.344 . 0 0 "[ . 1 . 2]" 1
57 1 23 G Q5' 1 23 G H8 2.900 2.300 3.500 2.917 2.850 3.084 . 0 0 "[ . 1 . 2]" 1
58 1 23 G H4' 1 23 G H8 3.100 2.500 3.700 4.094 4.056 4.131 0.431 20 0 "[ . 1 . 2]" 1
59 1 23 G H1' 1 23 G H8 3.200 2.600 3.800 3.802 3.767 3.823 0.023 1 0 "[ . 1 . 2]" 1
60 1 23 G H2' 1 23 G H8 5.500 4.000 7.000 3.785 3.727 3.871 0.273 6 0 "[ . 1 . 2]" 1
61 1 24 C H1' 1 24 C H6 3.400 2.700 4.100 3.731 3.726 3.739 . 0 0 "[ . 1 . 2]" 1
62 1 24 C H2' 1 24 C H5 3.500 2.800 4.200 4.414 4.401 4.431 0.231 15 0 "[ . 1 . 2]" 1
63 1 24 C H3' 1 24 C H5 3.400 2.700 4.100 4.385 4.362 4.407 0.307 2 0 "[ . 1 . 2]" 1
64 1 24 C H2' 1 24 C H6 2.900 2.300 3.500 3.107 3.066 3.162 . 0 0 "[ . 1 . 2]" 1
65 1 24 C H3' 1 24 C H6 2.400 . 2.900 2.502 2.474 2.536 . 0 0 "[ . 1 . 2]" 1
66 1 4 C Q5' 1 4 C H6 3.100 2.500 3.700 3.309 3.235 3.361 . 0 0 "[ . 1 . 2]" 1
67 1 4 C H1' 1 4 C Q5' 3.900 3.100 4.700 4.388 4.299 4.430 . 0 0 "[ . 1 . 2]" 1
68 1 4 C H4' 1 4 C H6 3.700 3.000 4.400 4.075 4.027 4.157 . 0 0 "[ . 1 . 2]" 1
69 1 4 C H1' 1 4 C H6 3.600 2.900 4.300 3.698 3.653 3.712 . 0 0 "[ . 1 . 2]" 1
70 1 4 C H2' 1 4 C H5 4.500 3.000 6.000 4.871 4.796 4.968 . 0 0 "[ . 1 . 2]" 1
71 1 4 C H2' 1 4 C H6 3.000 2.400 3.600 3.375 3.283 3.601 0.001 10 0 "[ . 1 . 2]" 1
72 1 4 C H3' 1 4 C H5 3.800 3.000 4.600 4.644 4.604 4.726 0.126 10 0 "[ . 1 . 2]" 1
73 1 4 C H3' 1 4 C H6 2.700 2.200 3.200 2.644 2.564 2.913 . 0 0 "[ . 1 . 2]" 1
74 1 5 G Q5' 1 5 G H8 3.700 3.000 4.000 3.558 3.430 3.659 . 0 0 "[ . 1 . 2]" 1
75 1 5 G H4' 1 5 G H8 4.300 3.400 5.200 4.427 4.337 4.491 . 0 0 "[ . 1 . 2]" 1
76 1 5 G H1' 1 5 G H8 3.800 3.000 4.600 3.865 3.838 3.882 . 0 0 "[ . 1 . 2]" 1
77 1 5 G H2' 1 5 G H8 2.700 2.200 3.200 3.260 3.149 3.366 0.166 20 0 "[ . 1 . 2]" 1
78 1 5 G H3' 1 5 G H8 2.900 2.300 3.500 3.262 3.007 3.548 0.048 8 0 "[ . 1 . 2]" 1
79 1 6 A H1' 1 6 A H8 3.400 2.700 4.100 3.753 3.723 3.784 . 0 0 "[ . 1 . 2]" 1
80 1 6 A Q5' 1 6 A H8 3.500 2.800 4.200 3.234 2.593 3.694 0.207 9 0 "[ . 1 . 2]" 1
81 1 6 A H2' 1 6 A H8 4.400 3.500 5.300 3.946 3.862 4.024 . 0 0 "[ . 1 . 2]" 1
82 1 6 A H3' 1 6 A H8 3.000 2.400 3.600 3.572 3.475 3.652 0.052 8 0 "[ . 1 . 2]" 1
83 1 7 A H1' 1 7 A H2 4.700 3.800 5.600 4.783 4.609 4.843 . 0 0 "[ . 1 . 2]" 1
84 1 7 A H1' 1 7 A H8 4.500 3.600 5.400 3.747 3.714 3.860 . 0 0 "[ . 1 . 2]" 1
85 1 7 A H3' 1 7 A H8 3.500 2.500 4.500 3.542 3.086 3.694 . 0 0 "[ . 1 . 2]" 1
86 1 7 A H2 1 7 A H2' 4.700 3.800 5.600 4.838 4.706 5.407 . 0 0 "[ . 1 . 2]" 1
87 1 8 G H1' 1 8 G Q5' 4.500 3.600 5.400 4.291 4.267 4.373 . 0 0 "[ . 1 . 2]" 1
88 1 8 G Q5' 1 8 G H8 2.900 2.300 3.500 2.487 2.417 2.541 . 0 0 "[ . 1 . 2]" 1
89 1 8 G H1' 1 8 G H8 3.800 3.000 4.600 3.719 3.632 3.770 . 0 0 "[ . 1 . 2]" 1
90 1 8 G H2' 1 8 G H8 3.500 2.800 4.200 3.984 3.839 4.185 . 0 0 "[ . 1 . 2]" 1
91 1 8 G H3' 1 8 G H8 2.700 2.200 3.200 3.358 3.301 3.466 0.266 12 0 "[ . 1 . 2]" 1
92 1 8 G H4' 1 8 G H8 4.200 3.400 5.000 4.366 4.223 4.419 . 0 0 "[ . 1 . 2]" 1
93 1 17 C H1' 1 17 C H6 3.400 2.700 4.100 3.694 3.677 3.714 . 0 0 "[ . 1 . 2]" 1
94 1 17 C H5 1 17 C H6 2.500 . 3.000 2.424 2.418 2.430 . 0 0 "[ . 1 . 2]" 1
95 1 17 C H2' 1 17 C H5 4.500 3.000 6.000 5.150 5.091 5.198 . 0 0 "[ . 1 . 2]" 1
96 1 17 C H2' 1 17 C H6 5.500 4.000 7.000 3.725 3.681 3.748 0.319 6 0 "[ . 1 . 2]" 1
97 1 17 C H3' 1 17 C H5 3.600 2.900 4.300 4.538 4.495 4.582 0.282 9 0 "[ . 1 . 2]" 1
98 1 17 C H3' 1 17 C H6 2.600 2.100 3.100 2.703 2.632 2.763 . 0 0 "[ . 1 . 2]" 1
99 1 18 C H1' 1 18 C H6 5.500 4.000 7.000 3.780 3.772 3.787 0.228 6 0 "[ . 1 . 2]" 1
100 1 18 C H2' 1 18 C H6 3.700 3.000 4.400 3.384 3.322 3.469 . 0 0 "[ . 1 . 2]" 1
101 1 18 C H3' 1 18 C H6 2.700 2.200 3.200 2.663 2.556 2.844 . 0 0 "[ . 1 . 2]" 1
102 1 19 G H1' 1 19 G H8 4.300 3.400 5.200 3.825 3.758 3.926 . 0 0 "[ . 1 . 2]" 1
103 1 19 G H2' 1 19 G H8 2.800 2.200 3.400 3.168 2.729 3.392 . 0 0 "[ . 1 . 2]" 1
104 1 19 G H3' 1 19 G H8 3.600 2.900 4.300 4.430 4.290 4.527 0.227 18 0 "[ . 1 . 2]" 1
105 1 20 A Q5' 1 20 A H8 3.100 2.500 3.700 2.779 2.482 3.331 0.018 2 0 "[ . 1 . 2]" 1
106 1 20 A H1' 1 20 A Q5' 4.400 3.500 4.600 4.237 4.148 4.306 . 0 0 "[ . 1 . 2]" 1
107 1 20 A H4' 1 20 A H8 5.500 4.000 7.000 4.445 4.411 4.551 . 0 0 "[ . 1 . 2]" 1
108 1 20 A H1' 1 20 A H2 4.400 3.500 5.300 4.862 4.747 5.052 . 0 0 "[ . 1 . 2]" 1
109 1 20 A H2 1 20 A H2' 4.500 3.000 6.000 4.651 4.189 4.972 . 0 0 "[ . 1 . 2]" 1
110 1 20 A H1' 1 20 A H8 3.400 2.700 4.100 3.704 3.596 3.765 . 0 0 "[ . 1 . 2]" 1
111 1 20 A H2' 1 20 A H8 4.100 3.300 4.900 4.039 3.843 4.296 . 0 0 "[ . 1 . 2]" 1
112 1 20 A H3' 1 20 A H8 3.500 . 4.000 3.650 3.419 3.980 . 0 0 "[ . 1 . 2]" 1
113 1 21 G H1' 1 21 G H8 4.200 3.400 5.000 3.847 3.785 3.888 . 0 0 "[ . 1 . 2]" 1
114 1 21 G H2' 1 21 G H8 3.500 2.800 4.200 3.527 3.228 3.834 . 0 0 "[ . 1 . 2]" 1
115 1 21 G H3' 1 21 G H8 2.600 2.100 3.100 2.838 2.558 3.210 0.110 13 0 "[ . 1 . 2]" 1
116 1 1 G H2' 1 2 U H1' 4.800 3.800 5.800 5.070 4.341 5.570 . 0 0 "[ . 1 . 2]" 1
117 1 1 G H1' 1 2 U H6 5.000 4.000 6.000 5.499 5.104 5.730 . 0 0 "[ . 1 . 2]" 1
118 1 1 G H2' 1 2 U H6 2.700 2.200 3.200 2.805 2.623 3.002 . 0 0 "[ . 1 . 2]" 1
119 1 2 U H1' 1 3 G H8 4.100 3.300 4.900 4.738 4.036 4.998 0.098 18 0 "[ . 1 . 2]" 1
120 1 2 U H2' 1 3 G H8 3.500 2.500 4.500 2.563 2.506 2.716 . 0 0 "[ . 1 . 2]" 1
121 1 2 U H3' 1 3 G H8 3.500 2.500 4.500 4.023 3.637 4.294 . 0 0 "[ . 1 . 2]" 1
122 1 3 G H1' 1 4 C H6 3.800 3.000 4.600 4.798 4.750 4.859 0.259 18 0 "[ . 1 . 2]" 1
123 1 3 G H2' 1 4 C H5 3.200 2.600 3.800 3.286 3.019 3.747 . 0 0 "[ . 1 . 2]" 1
124 1 3 G H2' 1 4 C H6 2.500 . 3.000 2.317 2.165 2.476 . 0 0 "[ . 1 . 2]" 1
125 1 3 G H3' 1 4 C H5 3.700 3.000 4.400 3.897 3.598 4.297 . 0 0 "[ . 1 . 2]" 1
126 1 3 G H3' 1 4 C H6 3.600 2.900 4.300 3.711 3.208 4.032 . 0 0 "[ . 1 . 2]" 1
127 1 3 G H2' 1 4 C H1' 3.900 3.100 4.700 4.576 4.072 4.775 0.075 4 0 "[ . 1 . 2]" 1
128 1 3 G H8 1 4 C H6 4.500 3.600 5.400 5.085 4.401 5.461 0.061 20 0 "[ . 1 . 2]" 1
129 1 3 G H8 1 4 C H5 4.500 3.000 6.000 4.320 3.288 5.189 . 0 0 "[ . 1 . 2]" 1
130 1 8 G H1' 1 9 A H8 4.000 3.200 4.800 4.868 4.661 4.936 0.136 18 0 "[ . 1 . 2]" 1
131 1 8 G H2' 1 9 A H8 2.200 . 2.600 2.192 2.048 2.303 . 0 0 "[ . 1 . 2]" 1
132 1 8 G H3' 1 9 A H8 3.000 2.400 3.600 3.331 3.034 3.566 . 0 0 "[ . 1 . 2]" 1
133 1 8 G H8 1 9 A H8 4.600 3.700 5.500 5.422 5.051 5.569 0.069 20 0 "[ . 1 . 2]" 1
134 1 9 A H1' 1 10 C H6 3.700 3.000 4.400 4.649 4.593 4.690 0.290 3 0 "[ . 1 . 2]" 1
135 1 9 A H2' 1 10 C H6 2.500 . 3.000 2.110 2.050 2.160 . 0 0 "[ . 1 . 2]" 1
136 1 9 A H2' 1 10 C H5 3.000 2.400 3.600 3.390 3.151 3.618 0.018 20 0 "[ . 1 . 2]" 1
137 1 9 A H3' 1 10 C H5 3.500 2.800 4.200 4.006 3.686 4.230 0.030 11 0 "[ . 1 . 2]" 1
138 1 9 A H3' 1 10 C H6 3.400 2.700 4.100 3.658 3.298 3.952 . 0 0 "[ . 1 . 2]" 1
139 1 9 A H8 1 10 C H5 4.100 . 6.500 4.609 4.145 5.137 . 0 0 "[ . 1 . 2]" 1
140 1 9 A H2 1 10 C H1' 3.100 2.500 3.700 3.789 3.745 3.842 0.142 16 0 "[ . 1 . 2]" 1
141 1 9 A H8 1 10 C H6 4.600 3.700 5.500 5.304 4.899 5.597 0.097 12 0 "[ . 1 . 2]" 1
142 1 9 A H2 1 10 C H6 4.600 3.700 5.500 4.928 4.729 5.277 . 0 0 "[ . 1 . 2]" 1
143 1 10 C H6 1 11 G H8 4.100 3.300 4.900 4.215 3.793 4.809 . 0 0 "[ . 1 . 2]" 1
144 1 10 C H5 1 11 G H8 5.500 4.000 7.000 4.373 3.912 5.334 0.088 10 0 "[ . 1 . 2]" 1
145 1 10 C H2' 1 11 G H1' 4.500 3.000 6.000 3.877 3.041 4.696 . 0 0 "[ . 1 . 2]" 1
146 1 10 C H1' 1 11 G H8 4.700 3.800 5.600 5.538 5.310 5.677 0.077 6 0 "[ . 1 . 2]" 1
147 1 10 C H2' 1 11 G H8 2.400 . 3.000 2.825 2.592 3.010 0.010 1 0 "[ . 1 . 2]" 1
148 1 10 C H3' 1 11 G H8 4.500 3.000 6.000 3.221 2.920 3.823 0.080 6 0 "[ . 1 . 2]" 1
149 1 11 G H2' 1 12 A H8 3.800 3.000 4.600 4.567 3.748 4.661 0.061 5 0 "[ . 1 . 2]" 1
150 1 11 G H1' 1 13 A H8 4.500 3.000 6.000 4.884 3.697 5.971 . 0 0 "[ . 1 . 2]" 1
151 1 11 G H2' 1 13 A H8 4.500 3.000 6.000 3.961 3.472 4.451 . 0 0 "[ . 1 . 2]" 1
152 1 12 A H1' 1 13 A H8 4.600 3.700 5.500 5.085 4.933 5.343 . 0 0 "[ . 1 . 2]" 1
153 1 12 A H2 1 13 A H1' 2.900 2.300 3.500 3.500 3.353 3.536 0.036 3 0 "[ . 1 . 2]" 1
154 1 12 A H2' 1 13 A H8 3.000 2.400 3.600 2.569 2.542 2.606 . 0 0 "[ . 1 . 2]" 1
155 1 12 A H3' 1 13 A H8 2.600 2.100 3.100 3.154 2.964 3.207 0.107 16 0 "[ . 1 . 2]" 1
156 1 12 A H2' 1 13 A H1' 4.400 3.500 5.300 3.881 3.680 4.145 . 0 0 "[ . 1 . 2]" 1
157 1 12 A H8 1 13 A H8 4.100 3.300 4.900 4.094 3.721 4.868 . 0 0 "[ . 1 . 2]" 1
158 1 13 A H2 1 14 A H1' 3.300 2.900 4.000 4.027 4.010 4.059 0.059 11 0 "[ . 1 . 2]" 1
159 1 13 A H2' 1 14 A H1' 3.600 3.100 4.300 4.103 3.084 4.375 0.075 16 0 "[ . 1 . 2]" 1
160 1 13 A H1' 1 14 A H8 5.100 4.100 6.100 5.262 5.114 5.395 . 0 0 "[ . 1 . 2]" 1
161 1 13 A H2' 1 14 A H8 2.600 2.100 3.100 2.571 2.472 2.729 . 0 0 "[ . 1 . 2]" 1
162 1 13 A H3' 1 14 A H8 2.900 2.300 3.500 2.894 2.500 3.562 0.062 2 0 "[ . 1 . 2]" 1
163 1 13 A H8 1 14 A H8 5.400 4.300 6.500 4.791 4.269 5.533 0.031 15 0 "[ . 1 . 2]" 1
164 1 14 A H8 1 15 G H8 4.100 3.300 4.900 4.699 4.322 4.973 0.073 10 0 "[ . 1 . 2]" 1
165 1 14 A H1' 1 15 G H8 5.500 4.000 7.000 6.253 6.016 6.368 . 0 0 "[ . 1 . 2]" 1
166 1 14 A H2' 1 15 G H1' 3.700 3.000 4.400 3.002 2.917 3.448 0.083 14 0 "[ . 1 . 2]" 1
167 1 14 A H2' 1 15 G H8 4.100 3.300 4.900 3.885 3.412 4.442 . 0 0 "[ . 1 . 2]" 1
168 1 14 A H3' 1 15 G H8 3.000 2.400 3.600 2.597 2.494 2.818 . 0 0 "[ . 1 . 2]" 1
169 1 14 A H2 1 15 G H1' 4.800 3.800 5.800 5.836 5.798 5.860 0.060 13 0 "[ . 1 . 2]" 1
170 1 14 A H8 1 15 G H1' 5.500 4.000 7.000 4.773 3.973 5.713 0.027 11 0 "[ . 1 . 2]" 1
171 1 15 G H2' 1 16 U H1' 4.000 3.200 4.800 4.629 4.394 4.850 0.050 10 0 "[ . 1 . 2]" 1
172 1 15 G H2' 1 16 U H5 3.000 2.400 3.600 3.031 2.893 3.159 . 0 0 "[ . 1 . 2]" 1
173 1 15 G H1' 1 16 U H6 3.800 3.000 4.600 4.748 4.706 4.778 0.178 16 0 "[ . 1 . 2]" 1
174 1 15 G H2' 1 16 U H6 2.400 . 2.900 2.281 2.169 2.355 . 0 0 "[ . 1 . 2]" 1
175 1 15 G H3' 1 16 U H5 3.100 2.500 3.700 3.746 3.636 3.824 0.124 4 0 "[ . 1 . 2]" 1
176 1 15 G H3' 1 16 U H6 2.900 2.300 3.500 3.692 3.636 3.727 0.227 3 0 "[ . 1 . 2]" 1
177 1 16 U H5 1 17 C H5 3.400 2.700 4.100 4.082 3.338 4.235 0.135 12 0 "[ . 1 . 2]" 1
178 1 16 U H5 1 17 C H6 4.100 . 6.500 5.519 5.129 5.669 . 0 0 "[ . 1 . 2]" 1
179 1 16 U H6 1 17 C H5 4.100 . 6.500 4.348 3.602 4.551 . 0 0 "[ . 1 . 2]" 1
180 1 16 U H2' 1 17 C H1' 3.400 2.700 4.100 4.155 4.127 4.185 0.085 8 0 "[ . 1 . 2]" 1
181 1 16 U H2' 1 17 C H5 3.200 2.600 3.600 3.670 3.641 3.700 0.100 5 0 "[ . 1 . 2]" 1
182 1 16 U H1' 1 17 C H6 4.100 . 6.500 5.066 4.959 5.154 . 0 0 "[ . 1 . 2]" 1
183 1 16 U H2' 1 17 C H6 2.300 . 2.800 2.335 2.243 2.399 . 0 0 "[ . 1 . 2]" 1
184 1 16 U H3' 1 17 C H6 3.500 2.500 4.500 3.335 2.963 3.481 . 0 0 "[ . 1 . 2]" 1
185 1 16 U H3' 1 17 C H5 3.300 2.600 4.000 3.595 3.067 3.801 . 0 0 "[ . 1 . 2]" 1
186 1 21 G H2' 1 22 C H1' 3.900 3.100 4.700 4.772 4.521 4.841 0.141 2 0 "[ . 1 . 2]" 1
187 1 21 G H1' 1 22 C H6 3.800 3.000 4.600 4.776 4.725 4.820 0.220 14 0 "[ . 1 . 2]" 1
188 1 21 G H8 1 22 C H5 4.400 3.500 5.300 4.543 3.478 5.311 0.022 8 0 "[ . 1 . 2]" 1
189 1 21 G H2' 1 22 C H5 3.500 2.800 4.200 3.111 2.947 3.365 . 0 0 "[ . 1 . 2]" 1
190 1 21 G H2' 1 22 C H6 2.400 . 2.900 2.274 2.156 2.406 . 0 0 "[ . 1 . 2]" 1
191 1 21 G H3' 1 22 C H5 3.300 2.600 4.000 3.771 3.568 3.940 . 0 0 "[ . 1 . 2]" 1
192 1 21 G H3' 1 22 C H6 3.000 2.400 3.600 3.636 3.321 3.785 0.185 18 0 "[ . 1 . 2]" 1
193 1 22 C H6 1 23 G H8 4.400 3.500 5.300 5.035 4.654 5.345 0.045 20 0 "[ . 1 . 2]" 1
194 1 22 C H1' 1 23 G H8 4.800 3.800 5.800 5.169 4.875 5.228 . 0 0 "[ . 1 . 2]" 1
195 1 22 C H2' 1 23 G H8 2.400 . 2.900 2.427 2.257 2.483 . 0 0 "[ . 1 . 2]" 1
196 1 22 C H3' 1 23 G H8 2.600 2.100 3.100 3.255 3.138 3.397 0.297 20 0 "[ . 1 . 2]" 1
197 1 23 G H8 1 24 C H5 3.700 3.000 4.400 3.971 3.490 4.342 . 0 0 "[ . 1 . 2]" 1
198 1 23 G H1' 1 24 C H6 3.800 3.000 4.600 4.849 4.820 4.882 0.282 7 0 "[ . 1 . 2]" 1
199 1 23 G H2' 1 24 C H6 2.400 . 2.900 2.218 2.199 2.249 . 0 0 "[ . 1 . 2]" 1
200 1 23 G H2' 1 24 C H5 3.500 2.500 4.500 3.564 3.240 3.747 . 0 0 "[ . 1 . 2]" 1
201 1 23 G H3' 1 24 C H5 3.000 2.400 3.600 3.516 3.422 3.638 0.038 8 0 "[ . 1 . 2]" 1
202 1 23 G H3' 1 24 C H6 2.700 2.200 3.200 3.257 3.144 3.335 0.135 14 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 100
_Distance_constraint_stats_list.Viol_count 556
_Distance_constraint_stats_list.Viol_total 637.295
_Distance_constraint_stats_list.Viol_max 0.376
_Distance_constraint_stats_list.Viol_rms 0.0384
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0159
_Distance_constraint_stats_list.Viol_average_violations_only 0.0573
_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 0.713 0.049 8 0 "[ . 1 . 2]"
1 2 U 3.843 0.143 7 0 "[ . 1 . 2]"
1 3 G 1.243 0.100 9 0 "[ . 1 . 2]"
1 4 C 1.160 0.071 18 0 "[ . 1 . 2]"
1 5 G 4.162 0.376 18 0 "[ . 1 . 2]"
1 6 A 4.241 0.150 4 0 "[ . 1 . 2]"
1 7 A 4.208 0.170 7 0 "[ . 1 . 2]"
1 8 G 3.166 0.170 7 0 "[ . 1 . 2]"
1 9 A 3.045 0.165 20 0 "[ . 1 . 2]"
1 10 C 1.226 0.084 12 0 "[ . 1 . 2]"
1 11 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 A 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 G 1.765 0.084 12 0 "[ . 1 . 2]"
1 16 U 1.359 0.075 16 0 "[ . 1 . 2]"
1 17 C 3.882 0.165 20 0 "[ . 1 . 2]"
1 18 C 10.185 0.317 19 0 "[ . 1 . 2]"
1 19 G 8.627 0.317 19 0 "[ . 1 . 2]"
1 20 A 3.465 0.376 18 0 "[ . 1 . 2]"
1 21 G 1.696 0.099 8 0 "[ . 1 . 2]"
1 22 C 1.189 0.100 9 0 "[ . 1 . 2]"
1 23 G 3.843 0.143 7 0 "[ . 1 . 2]"
1 24 C 0.713 0.049 8 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 4 C H1' 1 5 G H8 4.600 3.700 5.500 5.473 5.298 5.530 0.030 3 0 "[ . 1 . 2]" 2
2 1 4 C H2' 1 5 G H8 2.800 2.200 3.400 2.690 2.575 2.753 . 0 0 "[ . 1 . 2]" 2
3 1 4 C H3' 1 5 G H8 2.700 2.200 3.200 3.113 2.684 3.271 0.071 18 0 "[ . 1 . 2]" 2
4 1 4 C H5 1 5 G H8 4.800 3.800 5.800 5.465 4.783 5.830 0.030 20 0 "[ . 1 . 2]" 2
5 1 4 C H6 1 5 G H8 4.200 3.400 5.000 4.674 3.965 5.027 0.027 20 0 "[ . 1 . 2]" 2
6 1 5 G H1' 1 6 A H8 4.300 3.400 5.200 4.364 3.751 4.965 . 0 0 "[ . 1 . 2]" 2
7 1 5 G H2' 1 6 A H8 2.800 2.200 3.400 3.277 2.882 3.478 0.078 6 0 "[ . 1 . 2]" 2
8 1 5 G H3' 1 6 A H8 3.700 3.000 4.400 4.431 4.255 4.550 0.150 4 0 "[ . 1 . 2]" 2
9 1 6 A H1' 1 7 A H8 4.400 3.500 5.300 5.134 4.931 5.329 0.029 17 0 "[ . 1 . 2]" 2
10 1 6 A H1' 1 20 A H2 2.900 2.300 3.500 3.470 3.165 3.581 0.081 6 0 "[ . 1 . 2]" 2
11 1 6 A H2 1 20 A H1' 2.800 2.200 3.400 2.747 2.570 3.206 . 0 0 "[ . 1 . 2]" 2
12 1 6 A H2 1 20 A H8 4.700 3.800 5.600 4.877 3.769 5.638 0.038 9 0 "[ . 1 . 2]" 2
13 1 6 A H2 1 20 A H2' 4.400 3.500 5.300 5.140 4.676 5.378 0.078 11 0 "[ . 1 . 2]" 2
14 1 6 A H2' 1 20 A H2 4.500 3.000 6.000 5.803 5.257 6.067 0.067 11 0 "[ . 1 . 2]" 2
15 1 6 A H2' 1 7 A H1' 4.600 3.700 5.500 3.861 3.665 4.137 0.035 15 0 "[ . 1 . 2]" 2
16 1 6 A H2 1 7 A H1' 2.800 2.200 3.400 3.319 2.970 3.491 0.091 11 0 "[ . 1 . 2]" 2
17 1 6 A H2' 1 7 A H8 2.700 2.200 3.200 2.857 2.433 3.144 . 0 0 "[ . 1 . 2]" 2
18 1 6 A H3' 1 7 A H8 2.400 . 3.000 2.974 2.637 3.100 0.100 15 0 "[ . 1 . 2]" 2
19 1 7 A H1' 1 8 G H8 4.100 3.300 4.900 4.963 4.898 5.070 0.170 7 0 "[ . 1 . 2]" 2
20 1 7 A H2 1 8 G H1' 2.800 2.200 3.400 3.032 2.628 3.465 0.065 7 0 "[ . 1 . 2]" 2
21 1 7 A H2 1 8 G H8 4.800 3.800 5.800 5.047 4.670 5.724 . 0 0 "[ . 1 . 2]" 2
22 1 7 A H2 1 8 G H2' 4.600 3.700 5.500 5.388 4.979 5.598 0.098 20 0 "[ . 1 . 2]" 2
23 1 7 A H8 1 8 G H8 4.500 3.600 5.400 4.456 3.796 4.961 . 0 0 "[ . 1 . 2]" 2
24 1 7 A H2 1 18 C H1' 4.500 3.000 6.000 5.114 4.418 5.763 . 0 0 "[ . 1 . 2]" 2
25 1 7 A H2 1 19 G H1' 4.500 3.600 5.400 5.162 4.379 5.450 0.050 18 0 "[ . 1 . 2]" 2
26 1 7 A H2' 1 8 G H1' 3.300 2.600 4.000 3.952 3.121 4.114 0.114 5 0 "[ . 1 . 2]" 2
27 1 7 A H2' 1 8 G H8 2.400 . 3.000 2.570 2.505 2.624 . 0 0 "[ . 1 . 2]" 2
28 1 7 A H3' 1 8 G H8 4.500 3.000 6.000 3.511 3.094 3.993 . 0 0 "[ . 1 . 2]" 2
29 1 9 A H2 1 17 C H1' 2.900 2.300 3.500 3.570 3.505 3.665 0.165 20 0 "[ . 1 . 2]" 2
30 1 17 C H6 1 18 C H5 3.700 3.000 4.400 4.013 3.391 4.426 0.026 12 0 "[ . 1 . 2]" 2
31 1 17 C H5 1 18 C H5 4.500 3.000 6.000 4.080 3.520 4.536 . 0 0 "[ . 1 . 2]" 2
32 1 17 C H1' 1 18 C H6 5.500 4.000 7.000 5.354 5.234 5.525 . 0 0 "[ . 1 . 2]" 2
33 1 17 C H2' 1 18 C H5 2.900 2.300 3.500 3.517 2.874 3.645 0.145 17 0 "[ . 1 . 2]" 2
34 1 17 C H2' 1 18 C H6 2.400 . 2.900 2.590 2.476 2.754 . 0 0 "[ . 1 . 2]" 2
35 1 17 C H3' 1 18 C H5 3.000 2.400 3.600 3.119 2.706 3.373 . 0 0 "[ . 1 . 2]" 2
36 1 17 C H3' 1 18 C H6 2.700 2.200 3.200 3.228 2.938 3.331 0.131 12 0 "[ . 1 . 2]" 2
37 1 18 C H6 1 19 G H8 4.300 3.400 5.200 3.745 3.403 4.226 . 0 0 "[ . 1 . 2]" 2
38 1 18 C H5 1 19 G H8 5.500 4.000 7.000 4.198 3.981 4.920 0.019 8 0 "[ . 1 . 2]" 2
39 1 18 C H1' 1 19 G H8 4.100 3.300 4.900 5.093 5.054 5.197 0.297 19 0 "[ . 1 . 2]" 2
40 1 18 C H2' 1 19 G H8 3.600 2.900 4.300 2.727 2.583 2.777 0.317 19 0 "[ . 1 . 2]" 2
41 1 18 C H3' 1 19 G H8 2.900 2.300 3.500 3.390 2.557 3.591 0.091 6 0 "[ . 1 . 2]" 2
42 1 19 G H1' 1 20 A H8 4.100 3.300 4.900 4.086 3.373 4.915 0.015 14 0 "[ . 1 . 2]" 2
43 1 19 G H2' 1 20 A H8 4.900 3.900 5.900 4.982 4.476 5.709 . 0 0 "[ . 1 . 2]" 2
44 1 19 G H3' 1 20 A H8 5.500 4.000 7.000 5.259 4.312 6.150 . 0 0 "[ . 1 . 2]" 2
45 1 20 A H2 1 21 G H1' 3.000 2.400 3.600 3.603 3.139 3.699 0.099 8 0 "[ . 1 . 2]" 2
46 1 20 A H1' 1 21 G H8 4.700 3.800 5.600 5.375 5.239 5.553 . 0 0 "[ . 1 . 2]" 2
47 1 20 A H2' 1 21 G H8 3.100 2.500 3.700 2.787 2.519 3.314 . 0 0 "[ . 1 . 2]" 2
48 1 20 A H3' 1 21 G H8 2.500 . 3.000 2.726 2.527 3.021 0.021 2 0 "[ . 1 . 2]" 2
49 1 20 A H2' 1 21 G H1' 4.500 3.000 6.000 4.036 3.509 4.707 . 0 0 "[ . 1 . 2]" 2
50 1 5 G Q2 1 20 A H8 4.500 3.000 6.000 3.137 2.624 3.535 0.376 18 0 "[ . 1 . 2]" 2
51 1 2 U H3 1 23 G Q2 4.000 3.000 5.000 4.498 4.479 4.513 . 0 0 "[ . 1 . 2]" 2
52 1 3 G H1 1 21 G H1 4.300 3.300 5.300 4.815 3.291 5.331 0.031 3 0 "[ . 1 . 2]" 2
53 1 8 G H1 1 9 A H2 4.700 3.700 5.700 5.506 4.813 5.761 0.061 6 0 "[ . 1 . 2]" 2
54 1 15 G H1 1 16 U H3 4.500 3.500 5.500 3.563 3.445 3.914 0.055 6 0 "[ . 1 . 2]" 2
55 1 9 A H2 1 16 U H3 2.800 . 3.800 3.034 2.797 3.246 . 0 0 "[ . 1 . 2]" 2
56 1 9 A H2 1 15 G H1 4.300 3.300 5.300 5.136 4.571 5.381 0.081 6 0 "[ . 1 . 2]" 2
57 1 11 G H22 1 14 A H8 3.400 . 5.000 3.311 2.068 4.907 . 0 0 "[ . 1 . 2]" 2
58 1 5 G H1 1 19 G H1' 4.500 3.000 6.000 5.388 3.910 6.061 0.061 18 0 "[ . 1 . 2]" 2
59 1 5 G H1' 1 19 G H1 4.500 3.000 6.000 5.642 4.569 6.049 0.049 12 0 "[ . 1 . 2]" 2
60 1 5 G H1 1 19 G H8 4.500 3.000 6.000 5.644 5.040 6.058 0.058 20 0 "[ . 1 . 2]" 2
61 1 6 A H8 1 19 G H1 4.500 3.000 6.000 5.592 4.521 6.028 0.028 8 0 "[ . 1 . 2]" 2
62 1 5 G H1 1 20 A H8 4.500 3.000 6.000 5.839 5.293 6.071 0.071 8 0 "[ . 1 . 2]" 2
63 1 1 G O6 1 24 C N4 2.910 2.710 3.410 3.435 3.323 3.459 0.049 8 0 "[ . 1 . 2]" 2
64 1 1 G N1 1 24 C N3 2.950 2.750 3.450 3.223 2.912 3.459 0.009 8 0 "[ . 1 . 2]" 2
65 1 1 G N2 1 24 C O2 2.860 2.660 3.360 3.324 3.037 3.382 0.022 10 0 "[ . 1 . 2]" 2
66 1 2 U O2 1 23 G H1 1.790 . 1.890 2.002 1.946 2.033 0.143 7 0 "[ . 1 . 2]" 2
67 1 2 U H3 1 23 G O6 1.910 . 2.010 2.090 2.036 2.116 0.106 20 0 "[ . 1 . 2]" 2
68 1 2 U H3 1 23 G H1 2.530 2.030 3.030 2.567 2.551 2.599 . 0 0 "[ . 1 . 2]" 2
69 1 3 G O6 1 22 C N4 2.910 2.710 3.110 2.726 2.680 2.795 0.030 10 0 "[ . 1 . 2]" 2
70 1 3 G O6 1 22 C Q4 1.830 . 2.030 1.845 1.821 1.907 . 0 0 "[ . 1 . 2]" 2
71 1 3 G N1 1 22 C N3 2.950 2.850 3.050 2.871 2.821 2.910 0.029 9 0 "[ . 1 . 2]" 2
72 1 3 G H1 1 22 C N3 1.850 . 1.950 2.003 1.954 2.050 0.100 9 0 "[ . 1 . 2]" 2
73 1 3 G N2 1 22 C O2 2.860 2.660 3.060 2.896 2.795 3.039 . 0 0 "[ . 1 . 2]" 2
74 1 3 G Q2 1 22 C O2 1.920 . 2.120 1.958 1.909 2.017 . 0 0 "[ . 1 . 2]" 2
75 1 3 G C1' 1 22 C C1' 10.730 10.530 10.930 10.776 10.569 10.919 . 0 0 "[ . 1 . 2]" 2
76 1 4 C N4 1 21 G O6 2.910 2.710 3.110 2.812 2.734 2.853 . 0 0 "[ . 1 . 2]" 2
77 1 4 C Q4 1 21 G O6 1.830 . 2.030 1.823 1.762 1.851 . 0 0 "[ . 1 . 2]" 2
78 1 4 C N3 1 21 G N1 2.950 2.850 3.050 2.952 2.888 2.978 . 0 0 "[ . 1 . 2]" 2
79 1 4 C N3 1 21 G H1 1.850 . 1.950 1.976 1.945 2.019 0.069 10 0 "[ . 1 . 2]" 2
80 1 4 C O2 1 21 G N2 2.860 2.660 3.060 2.945 2.811 2.988 . 0 0 "[ . 1 . 2]" 2
81 1 4 C O2 1 21 G Q2 1.920 . 2.120 1.950 1.932 1.992 . 0 0 "[ . 1 . 2]" 2
82 1 4 C C1' 1 21 G C1' 10.730 10.530 10.930 10.911 10.621 10.993 0.063 16 0 "[ . 1 . 2]" 2
83 1 8 G O6 1 17 C N4 2.910 2.710 3.110 2.919 2.833 2.966 . 0 0 "[ . 1 . 2]" 2
84 1 8 G O6 1 17 C Q4 1.830 . 2.030 1.908 1.867 1.954 . 0 0 "[ . 1 . 2]" 2
85 1 8 G N1 1 17 C N3 2.950 2.850 3.050 2.907 2.841 2.969 0.009 20 0 "[ . 1 . 2]" 2
86 1 8 G H1 1 17 C N3 1.850 . 1.950 1.933 1.876 1.978 0.028 4 0 "[ . 1 . 2]" 2
87 1 8 G N2 1 17 C O2 2.860 2.660 3.060 2.872 2.822 2.948 . 0 0 "[ . 1 . 2]" 2
88 1 8 G Q2 1 17 C O2 1.920 . 2.120 1.968 1.920 2.021 . 0 0 "[ . 1 . 2]" 2
89 1 8 G C1' 1 17 C C1' 10.730 10.530 10.930 10.637 10.478 10.820 0.052 20 0 "[ . 1 . 2]" 2
90 1 9 A N6 1 16 U O4 2.950 2.750 3.150 2.744 2.708 2.783 0.042 20 0 "[ . 1 . 2]" 2
91 1 9 A Q6 1 16 U O4 1.910 . 2.110 1.792 1.694 1.913 0.016 20 0 "[ . 1 . 2]" 2
92 1 9 A N1 1 16 U N3 2.820 2.720 2.920 2.962 2.923 2.995 0.075 16 0 "[ . 1 . 2]" 2
93 1 9 A C1' 1 16 U C1' 10.730 10.530 10.930 10.813 10.658 10.976 0.046 3 0 "[ . 1 . 2]" 2
94 1 10 C N4 1 15 G O6 2.910 2.710 3.110 2.820 2.772 2.896 . 0 0 "[ . 1 . 2]" 2
95 1 10 C Q4 1 15 G O6 1.830 . 2.030 1.854 1.826 1.879 . 0 0 "[ . 1 . 2]" 2
96 1 10 C N3 1 15 G N1 2.950 2.850 3.050 2.895 2.861 2.968 . 0 0 "[ . 1 . 2]" 2
97 1 10 C N3 1 15 G H1 1.850 . 1.950 2.008 1.978 2.034 0.084 12 0 "[ . 1 . 2]" 2
98 1 10 C O2 1 15 G N2 2.860 2.660 3.060 2.830 2.787 2.947 . 0 0 "[ . 1 . 2]" 2
99 1 10 C O2 1 15 G Q2 1.920 . 2.120 1.945 1.921 1.963 . 0 0 "[ . 1 . 2]" 2
100 1 10 C C1' 1 15 G C1' 10.730 10.530 10.930 10.634 10.488 10.910 0.042 6 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 5
_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 .
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 4 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 A 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 A 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 1 17 C H2' 1 19 G H8 7.000 5.000 97.000 6.252 5.954 6.691 . 0 0 "[ . 1 . 2]" 3
2 1 18 C H4' 1 19 G H8 7.000 5.000 97.000 6.100 5.481 6.271 . 0 0 "[ . 1 . 2]" 3
3 1 4 C Q4 1 19 G H1 7.000 5.000 97.000 6.822 5.705 7.835 . 0 0 "[ . 1 . 2]" 3
4 1 7 A H1' 1 20 A H2 7.000 5.000 97.000 7.338 6.016 8.644 . 0 0 "[ . 1 . 2]" 3
5 1 5 G H1 1 7 A H8 7.000 5.000 97.000 10.837 9.610 12.406 . 0 0 "[ . 1 . 2]" 3
stop_
save_
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