NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
573233 |
2m4w   |
19024 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m4w
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 203
_Distance_constraint_stats_list.Viol_count 288
_Distance_constraint_stats_list.Viol_total 310.892
_Distance_constraint_stats_list.Viol_max 0.420
_Distance_constraint_stats_list.Viol_rms 0.0551
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0153
_Distance_constraint_stats_list.Viol_average_violations_only 0.1079
_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 0.174 0.090 10 0 "[ . 1]"
1 2 G 0.175 0.090 10 0 "[ . 1]"
1 3 A 1.039 0.093 8 0 "[ . 1]"
1 4 A 1.752 0.100 5 0 "[ . 1]"
1 5 U 0.834 0.104 5 0 "[ . 1]"
1 6 C 0.696 0.104 5 0 "[ . 1]"
1 7 G 0.568 0.113 6 0 "[ . 1]"
1 8 A 0.716 0.082 6 0 "[ . 1]"
1 9 A 1.347 0.157 8 0 "[ . 1]"
1 10 A 14.733 0.420 3 0 "[ . 1]"
1 11 G 12.839 0.420 3 0 "[ . 1]"
1 12 A 1.669 0.110 4 0 "[ . 1]"
1 13 U 3.679 0.264 5 0 "[ . 1]"
1 14 G 6.447 0.366 2 0 "[ . 1]"
1 15 U 1.713 0.194 8 0 "[ . 1]"
1 16 C 0.839 0.111 2 0 "[ . 1]"
1 17 C 0.374 0.111 2 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 3.800 3.000 4.600 3.690 3.590 3.775 . 0 0 "[ . 1]" 1
2 1 2 G H1' 1 2 G H8 3.700 2.900 4.500 3.774 3.734 3.815 . 0 0 "[ . 1]" 1
3 1 3 A H1' 1 3 A H8 4.000 3.200 4.800 3.800 3.753 3.833 . 0 0 "[ . 1]" 1
4 1 4 A H1' 1 4 A H8 3.800 3.000 4.600 3.718 3.675 3.752 . 0 0 "[ . 1]" 1
5 1 5 U H1' 1 5 U H6 3.800 3.000 4.600 3.531 3.436 3.607 . 0 0 "[ . 1]" 1
6 1 6 C H1' 1 6 C H6 3.800 3.000 4.600 3.617 3.592 3.647 . 0 0 "[ . 1]" 1
7 1 7 G H1' 1 7 G H8 4.600 3.600 5.600 3.708 3.642 3.749 . 0 0 "[ . 1]" 1
8 1 8 A H1' 1 8 A H8 3.400 2.700 4.100 3.872 3.851 3.897 . 0 0 "[ . 1]" 1
9 1 9 A H1' 1 9 A H8 3.500 2.800 4.200 3.761 3.704 3.809 . 0 0 "[ . 1]" 1
10 1 10 A H1' 1 10 A H8 2.900 2.300 3.500 3.874 3.838 3.886 0.386 5 0 "[ . 1]" 1
11 1 11 G H1' 1 11 G H8 3.700 2.700 4.700 3.905 3.874 3.920 . 0 0 "[ . 1]" 1
12 1 12 A H1' 1 12 A H8 3.500 2.800 4.200 3.850 3.817 3.868 . 0 0 "[ . 1]" 1
13 1 13 U H1' 1 13 U H6 3.900 3.100 4.700 3.624 3.558 3.689 . 0 0 "[ . 1]" 1
14 1 14 G H1' 1 14 G H8 2.900 2.300 3.500 3.842 3.771 3.866 0.366 2 0 "[ . 1]" 1
15 1 15 U H1' 1 15 U H6 3.300 2.600 4.000 3.676 3.635 3.703 . 0 0 "[ . 1]" 1
16 1 16 C H1' 1 16 C H6 3.600 2.800 4.400 3.654 3.584 3.693 . 0 0 "[ . 1]" 1
17 1 17 C H1' 1 17 C H6 3.400 2.700 4.100 3.697 3.678 3.711 . 0 0 "[ . 1]" 1
18 1 1 G H2' 1 1 G H8 4.800 3.800 5.800 4.145 3.963 4.282 . 0 0 "[ . 1]" 1
19 1 2 G H2' 1 2 G H8 3.800 3.000 4.600 3.943 3.784 4.058 . 0 0 "[ . 1]" 1
20 1 3 A H2' 1 3 A H8 4.400 3.500 5.300 3.855 3.694 3.991 . 0 0 "[ . 1]" 1
21 1 4 A H2' 1 4 A H8 3.700 3.000 4.400 4.103 4.016 4.200 . 0 0 "[ . 1]" 1
22 1 5 U H2' 1 5 U H6 4.000 3.200 4.800 3.895 3.704 4.066 . 0 0 "[ . 1]" 1
23 1 6 C H2' 1 6 C H6 4.400 3.500 5.300 3.645 3.528 3.795 . 0 0 "[ . 1]" 1
24 1 7 G H2' 1 7 G H8 3.900 3.100 4.700 4.130 4.055 4.256 . 0 0 "[ . 1]" 1
25 1 8 A H2' 1 8 A H8 3.000 2.400 3.600 3.513 3.306 3.617 0.017 1 0 "[ . 1]" 1
26 1 9 A H2' 1 9 A H8 3.600 2.900 4.300 3.928 3.803 4.110 . 0 0 "[ . 1]" 1
27 1 10 A H2' 1 10 A H8 3.500 2.800 4.200 3.333 3.174 3.752 . 0 0 "[ . 1]" 1
28 1 11 G H2' 1 11 G H8 3.800 3.000 4.600 3.311 3.197 3.510 . 0 0 "[ . 1]" 1
29 1 12 A H2' 1 12 A H8 3.400 2.700 4.100 3.612 3.518 3.771 . 0 0 "[ . 1]" 1
30 1 15 U H2' 1 15 U H6 3.300 2.600 4.000 3.329 3.074 3.588 . 0 0 "[ . 1]" 1
31 1 16 C H2' 1 16 C H6 4.000 3.200 4.800 3.539 3.341 3.770 . 0 0 "[ . 1]" 1
32 1 17 C H2' 1 17 C H6 3.100 2.500 3.700 3.333 3.190 3.488 . 0 0 "[ . 1]" 1
33 1 1 G H3' 1 1 G H8 3.300 2.600 4.000 3.304 2.868 3.676 . 0 0 "[ . 1]" 1
34 1 2 G H3' 1 2 G H8 3.000 2.400 3.600 3.057 2.834 3.308 . 0 0 "[ . 1]" 1
35 1 3 A H3' 1 3 A H8 3.300 2.600 4.000 2.913 2.785 3.162 . 0 0 "[ . 1]" 1
36 1 4 A H3' 1 4 A H8 3.200 2.600 3.800 3.236 3.067 3.381 . 0 0 "[ . 1]" 1
37 1 5 U H3' 1 5 U H6 3.500 2.800 4.200 3.011 2.807 3.354 . 0 0 "[ . 1]" 1
38 1 6 C H3' 1 6 C H6 3.700 2.900 4.500 2.878 2.802 2.989 0.098 2 0 "[ . 1]" 1
39 1 7 G H3' 1 7 G H8 4.100 3.300 4.900 3.277 3.187 3.421 0.113 6 0 "[ . 1]" 1
40 1 8 A H3' 1 8 A H8 3.400 2.700 4.100 2.687 2.618 2.902 0.082 6 0 "[ . 1]" 1
41 1 9 A H3' 1 9 A H8 3.100 2.500 3.700 3.310 3.093 3.560 . 0 0 "[ . 1]" 1
42 1 10 A H3' 1 10 A H8 3.000 2.200 3.800 2.237 2.172 2.447 0.028 4 0 "[ . 1]" 1
43 1 11 G H3' 1 11 G H8 3.400 2.700 4.100 2.562 2.486 2.736 0.214 5 0 "[ . 1]" 1
44 1 12 A H3' 1 12 A H8 3.100 2.500 3.700 2.734 2.545 2.831 . 0 0 "[ . 1]" 1
45 1 13 U H3' 1 13 U H6 2.800 2.200 3.400 2.718 2.421 2.921 . 0 0 "[ . 1]" 1
46 1 14 G H3' 1 14 G H8 3.000 2.400 3.600 2.542 2.443 2.835 . 0 0 "[ . 1]" 1
47 1 15 U H3' 1 15 U H6 3.300 2.600 4.000 2.502 2.406 2.609 0.194 8 0 "[ . 1]" 1
48 1 16 C H3' 1 16 C H6 3.100 2.500 3.700 2.564 2.423 2.957 0.077 4 0 "[ . 1]" 1
49 1 17 C H3' 1 17 C H6 2.300 . 2.800 2.273 2.145 2.405 . 0 0 "[ . 1]" 1
50 1 1 G H4' 1 1 G H8 4.400 3.500 5.300 4.318 4.182 4.446 . 0 0 "[ . 1]" 1
51 1 3 A H4' 1 3 A H8 3.900 3.100 4.700 4.286 4.132 4.387 . 0 0 "[ . 1]" 1
52 1 4 A H4' 1 4 A H8 3.800 3.000 4.600 4.362 4.241 4.453 . 0 0 "[ . 1]" 1
53 1 7 G H4' 1 7 G H8 4.300 3.400 5.200 4.258 4.163 4.333 . 0 0 "[ . 1]" 1
54 1 8 A H4' 1 8 A H8 3.900 3.100 4.700 4.261 4.191 4.328 . 0 0 "[ . 1]" 1
55 1 10 A H4' 1 10 A H8 3.900 3.100 4.700 4.190 4.030 4.400 . 0 0 "[ . 1]" 1
56 1 14 G H4' 1 14 G H8 4.100 3.300 4.900 4.161 4.099 4.228 . 0 0 "[ . 1]" 1
57 1 15 U H4' 1 15 U H6 4.000 3.200 4.800 4.079 3.999 4.238 . 0 0 "[ . 1]" 1
58 1 16 C H4' 1 16 C H6 4.400 3.500 5.300 3.960 3.860 4.042 . 0 0 "[ . 1]" 1
59 1 1 G H1' 1 1 G H2' 2.800 2.200 3.400 2.725 2.707 2.759 . 0 0 "[ . 1]" 1
60 1 2 G H1' 1 2 G H2' 2.500 . 3.000 2.738 2.720 2.771 . 0 0 "[ . 1]" 1
61 1 3 A H1' 1 3 A H2' 2.500 . 3.000 2.736 2.710 2.766 . 0 0 "[ . 1]" 1
62 1 4 A H1' 1 4 A H2' 2.500 . 3.000 2.728 2.709 2.748 . 0 0 "[ . 1]" 1
63 1 5 U H1' 1 5 U H2' 2.400 . 2.900 2.741 2.726 2.767 . 0 0 "[ . 1]" 1
64 1 6 C H1' 1 6 C H2' 2.400 . 2.900 2.769 2.744 2.794 . 0 0 "[ . 1]" 1
65 1 7 G H1' 1 7 G H2' 2.600 2.100 3.100 2.725 2.698 2.746 . 0 0 "[ . 1]" 1
66 1 8 A H1' 1 8 A H2' 2.700 2.200 3.200 2.752 2.734 2.771 . 0 0 "[ . 1]" 1
67 1 9 A H1' 1 9 A H2' 2.700 2.200 3.200 2.757 2.735 2.805 . 0 0 "[ . 1]" 1
68 1 10 A H1' 1 10 A H2' 2.700 2.200 3.200 2.732 2.687 2.780 . 0 0 "[ . 1]" 1
69 1 11 G H1' 1 11 G H2' 3.200 2.600 3.800 2.767 2.738 2.778 . 0 0 "[ . 1]" 1
70 1 12 A H1' 1 12 A H2' 2.500 . 3.000 2.762 2.739 2.776 . 0 0 "[ . 1]" 1
71 1 13 U H1' 1 13 U H2' 3.100 2.500 3.700 2.767 2.743 2.797 . 0 0 "[ . 1]" 1
72 1 14 G H1' 1 14 G H2' 3.100 2.500 3.700 2.720 2.710 2.742 . 0 0 "[ . 1]" 1
73 1 15 U H1' 1 15 U H2' 3.100 2.500 3.700 2.776 2.745 2.811 . 0 0 "[ . 1]" 1
74 1 16 C H1' 1 16 C H2' 2.500 . 3.000 2.750 2.727 2.775 . 0 0 "[ . 1]" 1
75 1 17 C H1' 1 17 C H2' 2.300 . 2.800 2.748 2.732 2.774 . 0 0 "[ . 1]" 1
76 1 1 G H1' 1 1 G H3' 3.800 3.000 4.600 3.821 3.794 3.871 . 0 0 "[ . 1]" 1
77 1 2 G H1' 1 2 G H3' 3.500 2.800 4.200 3.827 3.802 3.860 . 0 0 "[ . 1]" 1
78 1 4 A H1' 1 4 A H3' 3.900 3.100 4.700 3.818 3.796 3.836 . 0 0 "[ . 1]" 1
79 1 5 U H1' 1 5 U H3' 3.300 2.600 4.000 3.832 3.793 3.872 . 0 0 "[ . 1]" 1
80 1 6 C H1' 1 6 C H3' 4.200 3.400 5.000 3.868 3.836 3.893 . 0 0 "[ . 1]" 1
81 1 7 G H1' 1 7 G H3' 4.000 3.200 4.800 3.837 3.819 3.863 . 0 0 "[ . 1]" 1
82 1 8 A H1' 1 8 A H3' 3.500 2.800 4.200 3.883 3.851 3.912 . 0 0 "[ . 1]" 1
83 1 9 A H1' 1 9 A H3' 3.700 3.000 4.400 3.905 3.851 3.942 . 0 0 "[ . 1]" 1
84 1 11 G H1' 1 11 G H3' 4.800 3.800 5.800 3.849 3.827 3.865 . 0 0 "[ . 1]" 1
85 1 12 A H1' 1 12 A H3' 3.600 2.900 4.300 3.829 3.817 3.848 . 0 0 "[ . 1]" 1
86 1 13 U H1' 1 13 U H3' 4.100 3.300 4.900 3.840 3.803 3.862 . 0 0 "[ . 1]" 1
87 1 14 G H1' 1 14 G H3' 3.500 2.800 4.200 3.819 3.799 3.838 . 0 0 "[ . 1]" 1
88 1 16 C H1' 1 16 C H3' 3.500 2.800 4.200 3.849 3.834 3.870 . 0 0 "[ . 1]" 1
89 1 17 C H1' 1 17 C H3' 3.800 3.200 4.400 3.836 3.815 3.856 . 0 0 "[ . 1]" 1
90 1 1 G H1' 1 1 G H4' 3.800 3.000 4.600 3.457 3.379 3.523 . 0 0 "[ . 1]" 1
91 1 2 G H1' 1 2 G H4' 3.300 2.600 4.000 3.394 3.303 3.466 . 0 0 "[ . 1]" 1
92 1 3 A H1' 1 3 A H4' 3.800 3.200 4.400 3.399 3.297 3.512 . 0 0 "[ . 1]" 1
93 1 4 A H1' 1 4 A H4' 3.500 2.800 4.200 3.412 3.317 3.486 . 0 0 "[ . 1]" 1
94 1 5 U H1' 1 5 U H4' 3.100 2.500 3.700 3.393 3.341 3.439 . 0 0 "[ . 1]" 1
95 1 7 G H1' 1 7 G H4' 3.900 2.900 4.900 3.501 3.429 3.605 . 0 0 "[ . 1]" 1
96 1 8 A H1' 1 8 A H4' 3.400 2.700 4.100 3.445 3.390 3.498 . 0 0 "[ . 1]" 1
97 1 9 A H1' 1 9 A H4' 3.700 3.000 4.400 3.514 3.357 3.617 . 0 0 "[ . 1]" 1
98 1 10 A H1' 1 10 A H4' 3.500 2.800 4.200 3.460 3.283 3.536 . 0 0 "[ . 1]" 1
99 1 11 G H1' 1 11 G H4' 4.300 3.400 5.200 3.260 3.191 3.328 0.209 7 0 "[ . 1]" 1
100 1 12 A H1' 1 12 A H4' 3.000 2.400 3.600 3.276 3.207 3.385 . 0 0 "[ . 1]" 1
101 1 13 U H1' 1 13 U H4' 3.500 2.800 4.200 3.279 3.177 3.361 . 0 0 "[ . 1]" 1
102 1 14 G H1' 1 14 G H4' 3.200 2.600 3.800 3.481 3.412 3.547 . 0 0 "[ . 1]" 1
103 1 15 U H1' 1 15 U H4' 3.400 2.700 4.100 3.262 3.120 3.351 . 0 0 "[ . 1]" 1
104 1 16 C H1' 1 16 C H4' 3.200 2.600 3.800 3.386 3.306 3.465 . 0 0 "[ . 1]" 1
105 1 17 C H1' 1 17 C H4' 3.800 3.200 4.400 3.378 3.280 3.434 . 0 0 "[ . 1]" 1
106 1 5 U H5 1 5 U H6 2.700 2.200 3.200 2.420 2.412 2.429 . 0 0 "[ . 1]" 1
107 1 13 U H5 1 13 U H6 2.600 2.100 3.100 2.418 2.411 2.423 . 0 0 "[ . 1]" 1
108 1 1 G H1' 1 2 G H8 4.100 3.300 4.900 4.673 4.476 4.878 . 0 0 "[ . 1]" 1
109 1 2 G H1' 1 3 A H8 4.100 3.300 4.900 4.757 4.624 4.846 . 0 0 "[ . 1]" 1
110 1 3 A H1' 1 4 A H8 3.900 3.100 4.700 4.687 4.653 4.752 0.052 2 0 "[ . 1]" 1
111 1 4 A H1' 1 5 U H6 4.300 3.400 5.200 4.812 4.671 5.105 . 0 0 "[ . 1]" 1
112 1 5 U H1' 1 6 C H6 4.400 3.500 5.300 4.965 4.679 5.290 . 0 0 "[ . 1]" 1
113 1 6 C H1' 1 7 G H8 4.400 3.300 5.500 5.042 4.739 5.394 . 0 0 "[ . 1]" 1
114 1 7 G H1' 1 8 A H8 4.900 3.900 5.900 5.575 5.006 5.953 0.053 9 0 "[ . 1]" 1
115 1 8 A H1' 1 9 A H8 4.300 3.400 5.200 5.035 4.838 5.206 0.006 3 0 "[ . 1]" 1
116 1 9 A H1' 1 10 A H8 4.900 4.100 5.700 5.547 4.943 5.744 0.044 4 0 "[ . 1]" 1
117 1 10 A H1' 1 11 G H8 5.100 4.100 6.100 6.039 5.885 6.257 0.157 7 0 "[ . 1]" 1
118 1 10 A H8 1 11 G H1' 4.900 3.900 5.900 6.025 5.636 6.224 0.324 8 0 "[ . 1]" 1
119 1 11 G H1' 1 12 A H8 4.800 3.800 5.800 4.678 4.549 4.792 . 0 0 "[ . 1]" 1
120 1 12 A H1' 1 13 U H6 4.200 3.400 5.000 4.517 4.428 4.658 . 0 0 "[ . 1]" 1
121 1 14 G H1' 1 15 U H5 4.200 3.400 5.000 3.967 3.619 4.388 . 0 0 "[ . 1]" 1
122 1 15 U H1' 1 16 C H6 4.300 3.400 5.200 4.860 4.639 5.224 0.024 10 0 "[ . 1]" 1
123 1 16 C H1' 1 17 C H6 4.200 3.500 4.900 4.924 4.852 5.011 0.111 2 0 "[ . 1]" 1
124 1 4 A H1' 1 5 U H5 5.000 4.000 6.000 5.791 5.548 6.031 0.031 6 0 "[ . 1]" 1
125 1 3 A H2 1 4 A H1' 4.000 3.200 4.800 3.500 3.175 3.898 0.025 4 0 "[ . 1]" 1
126 1 4 A H2 1 5 U H1' 3.200 2.600 3.800 3.733 3.102 3.900 0.100 5 0 "[ . 1]" 1
127 1 6 C H1' 1 12 A H2 3.300 2.600 4.000 3.783 3.407 4.064 0.064 3 0 "[ . 1]" 1
128 1 8 A H2 1 9 A H1' 3.300 2.600 4.000 3.716 3.376 4.059 0.059 8 0 "[ . 1]" 1
129 1 9 A H2 1 10 A H1' 3.800 3.000 4.600 4.081 3.740 4.602 0.002 3 0 "[ . 1]" 1
130 1 10 A H2 1 11 G H1' 4.800 3.800 5.800 5.156 3.759 5.854 0.054 8 0 "[ . 1]" 1
131 1 12 A H2 1 13 U H1' 3.900 3.100 4.700 4.642 3.851 4.794 0.094 8 0 "[ . 1]" 1
132 1 5 U H1' 1 12 A H2 4.700 3.800 5.600 5.358 5.166 5.651 0.051 5 0 "[ . 1]" 1
133 1 4 A H2 1 14 G H1' 4.700 3.800 5.600 4.037 3.745 4.878 0.055 9 0 "[ . 1]" 1
134 1 4 A H2 1 15 U H1' 4.100 3.300 4.900 4.777 4.299 4.977 0.077 1 0 "[ . 1]" 1
135 1 3 A H2 1 16 C H1' 3.300 2.600 4.000 3.898 3.571 4.058 0.058 8 0 "[ . 1]" 1
136 1 1 G H2' 1 2 G H1' 4.000 3.200 4.800 4.282 3.701 4.771 . 0 0 "[ . 1]" 1
137 1 3 A H2' 1 4 A H1' 4.000 3.200 4.800 3.823 3.641 4.075 . 0 0 "[ . 1]" 1
138 1 5 U H2' 1 6 C H1' 3.900 3.100 4.700 4.481 4.233 4.804 0.104 5 0 "[ . 1]" 1
139 1 8 A H2' 1 9 A H1' 3.800 3.000 4.600 3.224 3.046 3.487 . 0 0 "[ . 1]" 1
140 1 9 A H2' 1 10 A H1' 3.900 3.100 4.700 3.671 3.337 4.085 . 0 0 "[ . 1]" 1
141 1 10 A H2' 1 11 G H1' 4.400 3.500 5.300 3.130 3.080 3.231 0.420 3 0 "[ . 1]" 1
142 1 12 A H2' 1 13 U H1' 4.600 3.700 5.500 4.651 4.264 4.785 . 0 0 "[ . 1]" 1
143 1 13 U H2' 1 14 G H1' 4.500 3.600 5.400 3.529 3.437 3.595 0.163 8 0 "[ . 1]" 1
144 1 15 U H2' 1 16 C H1' 4.200 3.400 5.000 4.347 3.890 4.703 . 0 0 "[ . 1]" 1
145 1 16 C H2' 1 17 C H1' 4.000 3.200 4.800 4.228 3.811 4.588 . 0 0 "[ . 1]" 1
146 1 1 G H2' 1 2 G H8 2.800 . 3.400 2.042 1.884 2.221 . 0 0 "[ . 1]" 1
147 1 2 G H2' 1 3 A H8 2.700 . 3.200 2.092 1.976 2.226 . 0 0 "[ . 1]" 1
148 1 4 A H2' 1 5 U H6 2.400 . 2.900 2.179 2.036 2.470 . 0 0 "[ . 1]" 1
149 1 5 U H2' 1 6 C H6 2.600 . 3.100 2.258 1.998 2.655 . 0 0 "[ . 1]" 1
150 1 6 C H2' 1 7 G H8 3.100 . 3.700 2.574 2.207 2.877 . 0 0 "[ . 1]" 1
151 1 7 G H2' 1 8 A H8 3.800 3.000 4.600 3.790 3.492 4.084 . 0 0 "[ . 1]" 1
152 1 8 A H2' 1 9 A H8 2.700 . 3.200 2.401 2.137 2.690 . 0 0 "[ . 1]" 1
153 1 9 A H2' 1 10 A H8 2.500 . 3.000 2.958 2.317 3.157 0.157 8 0 "[ . 1]" 1
154 1 10 A H2' 1 11 G H8 4.100 3.300 4.900 3.359 3.153 3.803 0.147 1 0 "[ . 1]" 1
155 1 11 G H2' 1 12 A H8 2.200 . 2.600 2.022 1.919 2.129 . 0 0 "[ . 1]" 1
156 1 12 A H2' 1 13 U H6 2.700 . 3.200 2.019 1.928 2.085 . 0 0 "[ . 1]" 1
157 1 13 U H2' 1 14 G H8 3.500 2.800 4.200 3.047 2.814 3.465 . 0 0 "[ . 1]" 1
158 1 14 G H2' 1 15 U H6 3.700 3.000 4.400 2.948 2.892 3.007 0.108 8 0 "[ . 1]" 1
159 1 15 U H2' 1 16 C H6 2.600 . 3.100 2.262 2.047 2.485 . 0 0 "[ . 1]" 1
160 1 16 C H2' 1 17 C H6 2.400 . 2.900 2.271 2.168 2.340 . 0 0 "[ . 1]" 1
161 1 1 G H3' 1 2 G H8 2.800 2.200 3.400 3.018 2.689 3.490 0.090 10 0 "[ . 1]" 1
162 1 2 G H3' 1 3 A H8 3.600 2.900 4.300 3.247 2.930 3.581 . 0 0 "[ . 1]" 1
163 1 3 A H3' 1 4 A H8 2.700 2.200 3.200 3.052 2.870 3.254 0.054 1 0 "[ . 1]" 1
164 1 4 A H3' 1 5 U H6 3.400 2.700 4.100 3.241 3.024 3.469 . 0 0 "[ . 1]" 1
165 1 7 G H3' 1 8 A H8 4.100 3.300 4.900 4.479 4.206 4.667 . 0 0 "[ . 1]" 1
166 1 8 A H3' 1 9 A H8 2.600 2.100 3.100 2.812 2.370 3.125 0.025 3 0 "[ . 1]" 1
167 1 9 A H3' 1 10 A H8 3.000 2.400 3.600 2.479 2.288 2.683 0.112 9 0 "[ . 1]" 1
168 1 10 A H3' 1 11 G H8 4.900 3.900 5.900 3.672 3.551 3.789 0.349 7 0 "[ . 1]" 1
169 1 11 G H3' 1 12 A H8 3.200 2.600 3.800 3.455 3.244 3.585 . 0 0 "[ . 1]" 1
170 1 13 U H3' 1 14 G H8 3.700 3.000 4.400 2.857 2.736 2.943 0.264 5 0 "[ . 1]" 1
171 1 14 G H3' 1 15 U H6 4.300 3.400 5.200 4.800 4.623 4.972 . 0 0 "[ . 1]" 1
172 1 15 U H3' 1 16 C H6 3.400 2.700 4.100 3.608 3.432 3.754 . 0 0 "[ . 1]" 1
173 1 16 C H3' 1 17 C H6 3.100 2.500 3.700 3.574 3.292 3.713 0.013 10 0 "[ . 1]" 1
174 1 4 A H8 1 5 U H5 4.100 3.300 4.900 4.536 4.105 4.872 . 0 0 "[ . 1]" 1
175 1 12 A H8 1 13 U H5 4.300 3.400 5.200 4.539 4.381 4.633 . 0 0 "[ . 1]" 1
176 1 15 U H6 1 16 C H5 5.500 4.400 6.600 4.541 4.373 5.114 0.027 1 0 "[ . 1]" 1
177 1 16 C H6 1 17 C H5 4.700 3.800 5.600 4.360 4.023 4.731 . 0 0 "[ . 1]" 1
178 1 12 A H8 1 13 U H6 4.300 3.400 5.200 5.231 5.131 5.284 0.084 9 0 "[ . 1]" 1
179 1 16 C H6 1 17 C H6 4.700 3.800 5.600 5.287 4.846 5.607 0.007 5 0 "[ . 1]" 1
180 1 5 U H5 1 6 C H5 4.000 3.200 4.800 4.046 3.586 4.253 . 0 0 "[ . 1]" 1
181 1 1 G H8 1 2 G H8 4.800 3.800 5.800 5.255 4.444 5.848 0.048 6 0 "[ . 1]" 1
182 1 3 A H8 1 4 A H8 4.100 3.300 4.900 4.877 4.524 4.975 0.075 10 0 "[ . 1]" 1
183 1 8 A H8 1 9 A H8 4.100 3.300 4.900 4.036 3.583 4.626 . 0 0 "[ . 1]" 1
184 1 9 A H8 1 10 A H8 4.200 3.400 5.000 4.879 4.581 5.048 0.048 10 0 "[ . 1]" 1
185 1 10 A H8 1 11 G H8 4.000 3.300 4.700 4.823 4.771 4.872 0.172 5 0 "[ . 1]" 1
186 1 11 G H8 1 12 A H8 4.000 3.200 4.800 4.357 4.034 4.738 . 0 0 "[ . 1]" 1
187 1 6 C H6 1 7 G H8 3.900 3.100 4.700 3.970 3.531 4.398 . 0 0 "[ . 1]" 1
188 1 13 U H6 1 14 G H8 5.300 4.200 6.400 4.746 4.293 5.023 . 0 0 "[ . 1]" 1
189 1 8 A H3' 1 9 A H1' 4.600 3.700 5.500 5.370 5.037 5.568 0.068 4 0 "[ . 1]" 1
190 1 7 G H2' 1 9 A H8 3.500 2.800 4.200 3.908 3.268 4.243 0.043 8 0 "[ . 1]" 1
191 1 12 A H2 1 13 U H6 4.500 3.600 5.400 5.455 5.375 5.510 0.110 4 0 "[ . 1]" 1
192 1 13 U H4' 1 14 G H8 4.700 3.800 5.600 5.606 5.477 5.676 0.076 2 0 "[ . 1]" 1
193 1 3 A H2 1 4 A H2 4.700 3.800 5.600 5.650 5.599 5.693 0.093 8 0 "[ . 1]" 1
194 1 9 A H2 1 10 A H2 4.900 3.900 5.900 5.605 4.908 5.968 0.068 10 0 "[ . 1]" 1
195 1 7 G H1' 1 9 A H8 5.000 4.000 6.000 4.952 4.259 5.657 . 0 0 "[ . 1]" 1
196 1 2 G H1 1 17 C H1' 5.000 . 6.000 4.943 4.160 5.639 . 0 0 "[ . 1]" 1
197 1 2 G H1 1 3 A H1' 5.000 . 6.000 5.418 4.446 6.001 0.001 9 0 "[ . 1]" 1
198 1 5 U H3 1 11 G H1 4.000 . 5.000 4.733 4.406 5.045 0.045 5 0 "[ . 1]" 1
199 1 5 U H3 1 12 A H2 3.000 . 4.000 2.779 2.602 2.978 . 0 0 "[ . 1]" 1
200 1 5 U H3 1 6 C H1' 5.000 . 6.000 5.539 5.233 6.034 0.034 2 0 "[ . 1]" 1
201 1 11 G H1 1 12 A H1' 5.000 . 6.000 5.791 5.385 6.078 0.078 4 0 "[ . 1]" 1
202 1 7 G H1' 1 11 G H1 4.000 . 5.000 4.070 3.471 4.699 . 0 0 "[ . 1]" 1
203 1 11 G H1 1 12 A H2 4.000 . 5.000 3.984 3.577 4.418 . 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 14
_Distance_constraint_stats_list.Viol_count 22
_Distance_constraint_stats_list.Viol_total 17.320
_Distance_constraint_stats_list.Viol_max 0.268
_Distance_constraint_stats_list.Viol_rms 0.0419
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0124
_Distance_constraint_stats_list.Viol_average_violations_only 0.0787
_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 0.121 0.070 2 0 "[ . 1]"
1 2 G 0.000 0.000 . 0 "[ . 1]"
1 3 A 0.000 0.000 . 0 "[ . 1]"
1 4 A 0.210 0.099 3 0 "[ . 1]"
1 5 U 0.000 0.000 . 0 "[ . 1]"
1 6 C 0.286 0.098 6 0 "[ . 1]"
1 7 G 1.115 0.268 7 0 "[ . 1]"
1 10 A 1.115 0.268 7 0 "[ . 1]"
1 11 G 0.286 0.098 6 0 "[ . 1]"
1 12 A 0.000 0.000 . 0 "[ . 1]"
1 13 U 0.210 0.099 3 0 "[ . 1]"
1 15 U 0.000 0.000 . 0 "[ . 1]"
1 16 C 0.000 0.000 . 0 "[ . 1]"
1 17 C 0.121 0.070 2 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 7 G N3 1 10 A H61 2.000 . 2.500 2.585 2.238 2.768 0.268 7 0 "[ . 1]" 2
2 1 1 G N1 1 17 C N3 2.950 2.350 3.550 3.071 2.779 3.486 . 0 0 "[ . 1]" 2
3 1 1 G O6 1 17 C N4 2.910 2.310 3.510 3.177 2.668 3.580 0.070 2 0 "[ . 1]" 2
4 1 1 G N2 1 17 C O2 2.860 2.260 3.460 2.945 2.576 3.442 . 0 0 "[ . 1]" 2
5 1 2 G N1 1 16 C N3 2.950 2.350 3.550 2.819 2.670 3.314 . 0 0 "[ . 1]" 2
6 1 2 G O6 1 16 C N4 2.910 2.310 3.510 2.922 2.658 3.339 . 0 0 "[ . 1]" 2
7 1 2 G N2 1 16 C O2 2.860 2.260 3.460 2.664 2.529 3.227 . 0 0 "[ . 1]" 2
8 1 3 A N6 1 15 U O4 2.950 2.350 3.550 2.958 2.602 3.419 . 0 0 "[ . 1]" 2
9 1 4 A N6 1 13 U O4 2.950 2.350 3.550 3.501 3.220 3.649 0.099 3 0 "[ . 1]" 2
10 1 5 U N3 1 12 A N1 2.820 2.220 3.420 2.819 2.758 2.911 . 0 0 "[ . 1]" 2
11 1 5 U O4 1 12 A N6 2.950 2.350 3.550 2.895 2.624 3.115 . 0 0 "[ . 1]" 2
12 1 6 C N3 1 11 G N1 2.950 2.350 3.550 3.102 2.849 3.272 . 0 0 "[ . 1]" 2
13 1 6 C N4 1 11 G O6 2.910 2.310 3.510 3.421 3.086 3.608 0.098 6 0 "[ . 1]" 2
14 1 6 C O2 1 11 G N2 2.860 2.260 3.460 2.728 2.530 2.949 . 0 0 "[ . 1]" 2
stop_
save_
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