NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
375771 |
1f7g   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1f7g
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 873
_Distance_constraint_stats_list.Viol_total 710.987
_Distance_constraint_stats_list.Viol_max 0.263
_Distance_constraint_stats_list.Viol_rms 0.0272
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0094
_Distance_constraint_stats_list.Viol_average_violations_only 0.0479
_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 2.983 0.147 2 0 "[ . 1 . ]"
1 2 G 3.825 0.147 2 0 "[ . 1 . ]"
1 3 A 1.599 0.073 4 0 "[ . 1 . ]"
1 4 A 1.477 0.061 4 0 "[ . 1 . ]"
1 5 G 1.574 0.092 11 0 "[ . 1 . ]"
1 6 U 2.344 0.092 11 0 "[ . 1 . ]"
1 7 U 2.361 0.184 8 0 "[ . 1 . ]"
1 8 C 4.137 0.184 8 0 "[ . 1 . ]"
1 9 G 1.871 0.087 4 0 "[ . 1 . ]"
1 10 G 1.963 0.082 11 0 "[ . 1 . ]"
1 11 U 3.863 0.190 3 0 "[ . 1 . ]"
1 12 C 4.648 0.190 3 0 "[ . 1 . ]"
1 13 U 4.824 0.262 3 0 "[ . 1 . ]"
1 14 U 7.409 0.262 3 0 "[ . 1 . ]"
1 15 C 5.765 0.214 12 0 "[ . 1 . ]"
1 16 G 3.954 0.263 11 0 "[ . 1 . ]"
1 17 G 3.785 0.263 11 0 "[ . 1 . ]"
1 18 A 2.988 0.098 15 0 "[ . 1 . ]"
1 19 C 4.142 0.150 1 0 "[ . 1 . ]"
1 20 C 3.476 0.150 1 0 "[ . 1 . ]"
1 21 G 3.030 0.111 15 0 "[ . 1 . ]"
1 22 G 2.743 0.111 15 0 "[ . 1 . ]"
1 23 C 1.719 0.085 11 0 "[ . 1 . ]"
1 24 U 1.858 0.085 11 0 "[ . 1 . ]"
1 25 U 1.041 0.063 8 0 "[ . 1 . ]"
1 26 C 0.608 0.044 17 0 "[ . 1 . ]"
1 27 C 0.149 0.027 7 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 3.849 3.787 3.879 . 0 0 "[ . 1 . ]" 1
2 1 1 G H2' 1 1 G H8 2.000 . 4.000 3.051 2.339 3.969 . 0 0 "[ . 1 . ]" 1
3 1 1 G H1' 1 2 G H8 2.000 . 4.000 4.087 4.030 4.147 0.147 2 0 "[ . 1 . ]" 1
4 1 1 G H2' 1 2 G H8 1.800 . 3.200 2.269 2.223 2.293 . 0 0 "[ . 1 . ]" 1
5 1 1 G H2' 1 2 G H1' 2.500 2.500 5.000 4.845 4.110 5.071 0.071 17 0 "[ . 1 . ]" 1
6 1 1 G H3' 1 2 G H8 2.000 . 4.000 3.804 2.915 4.085 0.085 11 0 "[ . 1 . ]" 1
7 1 1 G H4' 1 2 G H8 3.000 3.000 7.000 5.329 4.896 6.008 . 0 0 "[ . 1 . ]" 1
8 1 1 G H8 1 2 G H8 2.500 2.500 4.500 4.291 3.334 4.537 0.037 11 0 "[ . 1 . ]" 1
9 1 2 G H1' 1 2 G H8 2.000 . 4.000 3.729 3.633 3.784 . 0 0 "[ . 1 . ]" 1
10 1 2 G H2' 1 2 G H8 2.000 . 5.000 4.034 3.905 4.215 . 0 0 "[ . 1 . ]" 1
11 1 2 G H1' 1 3 A H8 2.500 2.500 5.000 5.017 4.974 5.041 0.041 6 0 "[ . 1 . ]" 1
12 1 2 G H2' 1 3 A H8 1.800 . 3.200 2.327 2.304 2.346 . 0 0 "[ . 1 . ]" 1
13 1 2 G H2' 1 3 A H1' 2.500 2.500 5.000 3.984 3.382 4.497 . 0 0 "[ . 1 . ]" 1
14 1 2 G H3' 1 3 A H8 1.800 . 3.200 3.127 2.975 3.220 0.020 4 0 "[ . 1 . ]" 1
15 1 2 G H4' 1 3 A H8 3.000 3.000 7.000 5.655 5.529 5.745 . 0 0 "[ . 1 . ]" 1
16 1 2 G H8 1 3 A H8 2.500 2.500 5.000 5.018 4.851 5.073 0.073 4 0 "[ . 1 . ]" 1
17 1 3 A H1' 1 3 A H8 2.000 . 4.000 3.832 3.738 3.882 . 0 0 "[ . 1 . ]" 1
18 1 3 A H2' 1 3 A H8 2.000 . 5.000 3.725 3.493 4.018 . 0 0 "[ . 1 . ]" 1
19 1 3 A H1' 1 3 A H2 3.000 3.000 7.000 4.600 4.515 4.757 . 0 0 "[ . 1 . ]" 1
20 1 3 A H1' 1 4 A H8 2.500 2.500 5.000 5.017 4.934 5.057 0.057 9 0 "[ . 1 . ]" 1
21 1 3 A H2' 1 4 A H8 1.800 . 3.200 2.330 2.317 2.358 . 0 0 "[ . 1 . ]" 1
22 1 3 A H2' 1 4 A H1' 3.000 3.000 7.000 4.126 3.485 4.612 . 0 0 "[ . 1 . ]" 1
23 1 3 A H3' 1 4 A H8 2.000 . 4.000 3.549 2.804 3.926 . 0 0 "[ . 1 . ]" 1
24 1 3 A H4' 1 4 A H8 3.000 3.000 7.000 5.831 5.330 6.015 . 0 0 "[ . 1 . ]" 1
25 1 3 A H8 1 4 A H8 2.500 2.500 5.000 4.972 4.692 5.046 0.046 4 0 "[ . 1 . ]" 1
26 1 3 A H2 1 4 A H1' 2.000 . 4.000 3.893 3.090 4.017 0.017 4 0 "[ . 1 . ]" 1
27 1 3 A H2 1 4 A H2 2.000 . 5.000 4.484 3.927 5.004 0.004 5 0 "[ . 1 . ]" 1
28 1 3 A H2 1 26 C H1' 2.000 . 4.000 3.996 3.925 4.019 0.019 1 0 "[ . 1 . ]" 1
29 1 4 A H1' 1 4 A H8 2.000 . 4.000 3.851 3.796 3.877 . 0 0 "[ . 1 . ]" 1
30 1 4 A H2' 1 4 A H8 2.000 . 5.000 3.651 3.501 3.919 . 0 0 "[ . 1 . ]" 1
31 1 4 A H1' 1 4 A H2 3.000 3.000 7.000 4.565 4.517 4.658 . 0 0 "[ . 1 . ]" 1
32 1 4 A H1' 1 5 G H8 2.500 2.500 5.000 5.026 4.999 5.061 0.061 4 0 "[ . 1 . ]" 1
33 1 4 A H1' 1 5 G H1' 2.500 2.500 5.000 4.913 4.603 5.025 0.025 1 0 "[ . 1 . ]" 1
34 1 4 A H2' 1 5 G H8 1.800 . 3.200 2.331 2.305 2.344 . 0 0 "[ . 1 . ]" 1
35 1 4 A H2' 1 5 G H1' 2.500 2.500 5.000 3.892 3.572 4.132 . 0 0 "[ . 1 . ]" 1
36 1 4 A H3' 1 5 G H8 2.500 2.500 5.000 3.622 3.058 3.846 . 0 0 "[ . 1 . ]" 1
37 1 4 A H4' 1 5 G H8 3.000 3.000 7.000 5.865 5.602 5.967 . 0 0 "[ . 1 . ]" 1
38 1 4 A H8 1 5 G H8 2.500 2.500 5.000 4.961 4.813 5.043 0.043 16 0 "[ . 1 . ]" 1
39 1 4 A H2 1 5 G H1' 2.000 . 4.000 3.880 3.504 4.022 0.022 8 0 "[ . 1 . ]" 1
40 1 4 A H2 1 5 G H8 3.000 3.000 7.000 6.049 5.728 6.352 . 0 0 "[ . 1 . ]" 1
41 1 4 A H2 1 25 U H1' 2.000 . 4.000 3.713 3.091 4.022 0.022 8 0 "[ . 1 . ]" 1
42 1 5 G H1' 1 5 G H8 2.000 . 4.000 3.784 3.666 3.858 . 0 0 "[ . 1 . ]" 1
43 1 5 G H2' 1 5 G H8 2.000 . 5.000 3.818 3.566 4.109 . 0 0 "[ . 1 . ]" 1
44 1 5 G H1' 1 6 U H6 2.500 2.500 5.000 5.029 5.000 5.092 0.092 11 0 "[ . 1 . ]" 1
45 1 5 G H1' 1 6 U H5 3.000 3.000 6.000 5.611 5.438 5.756 . 0 0 "[ . 1 . ]" 1
46 1 5 G H2' 1 6 U H6 1.800 . 3.800 2.556 2.399 2.767 . 0 0 "[ . 1 . ]" 1
47 1 5 G H2' 1 6 U H5 2.500 2.500 5.000 4.110 3.870 4.373 . 0 0 "[ . 1 . ]" 1
48 1 5 G H3' 1 6 U H6 2.500 2.500 5.000 2.974 2.516 3.311 . 0 0 "[ . 1 . ]" 1
49 1 5 G H3' 1 6 U H5 2.500 2.500 5.000 3.753 3.496 3.986 . 0 0 "[ . 1 . ]" 1
50 1 5 G H4' 1 6 U H6 3.000 3.000 7.000 5.719 5.409 5.904 . 0 0 "[ . 1 . ]" 1
51 1 5 G H8 1 6 U H6 2.000 . 4.000 4.009 3.946 4.060 0.060 14 0 "[ . 1 . ]" 1
52 1 5 G H8 1 6 U H5 2.000 . 4.000 2.874 2.627 3.018 . 0 0 "[ . 1 . ]" 1
53 1 6 U H1' 1 6 U H6 2.000 . 4.000 3.691 3.647 3.722 . 0 0 "[ . 1 . ]" 1
54 1 6 U H2' 1 6 U H6 1.800 . 3.800 3.077 2.862 3.293 . 0 0 "[ . 1 . ]" 1
55 1 6 U H1' 1 7 U H6 3.000 3.000 7.000 6.997 6.651 7.052 0.052 10 0 "[ . 1 . ]" 1
56 1 6 U H2' 1 7 U H6 3.000 3.000 7.000 5.170 4.626 5.800 . 0 0 "[ . 1 . ]" 1
57 1 6 U H1' 1 8 C H6 3.000 3.000 7.000 5.410 4.643 6.220 . 0 0 "[ . 1 . ]" 1
58 1 6 U H2' 1 8 C H6 2.500 2.500 5.000 2.938 2.628 3.369 . 0 0 "[ . 1 . ]" 1
59 1 6 U H2' 1 8 C H5 2.000 . 4.000 3.602 2.711 4.019 0.019 12 0 "[ . 1 . ]" 1
60 1 6 U H4' 1 8 C H6 3.000 3.000 7.000 6.711 6.354 7.062 0.062 11 0 "[ . 1 . ]" 1
61 1 6 U H6 1 8 C H6 2.500 2.500 5.000 5.059 5.031 5.083 0.083 16 0 "[ . 1 . ]" 1
62 1 6 U H6 1 8 C H5 3.000 3.000 7.000 4.055 3.465 4.857 . 0 0 "[ . 1 . ]" 1
63 1 6 U H5 1 8 C H5 3.000 3.000 7.000 3.595 3.251 4.554 . 0 0 "[ . 1 . ]" 1
64 1 7 U H1' 1 7 U H6 2.000 . 4.000 2.561 2.345 3.506 . 0 0 "[ . 1 . ]" 1
65 1 7 U H2' 1 7 U H5 2.500 2.500 5.000 5.025 4.969 5.087 0.087 6 0 "[ . 1 . ]" 1
66 1 7 U H6 1 8 C H5 2.500 2.500 5.000 4.002 2.749 5.184 0.184 8 0 "[ . 1 . ]" 1
67 1 7 U H2' 1 8 C H6 2.000 . 4.000 4.000 3.505 4.136 0.136 4 0 "[ . 1 . ]" 1
68 1 7 U H3' 1 8 C H6 2.500 2.500 5.000 4.648 4.062 5.043 0.043 13 0 "[ . 1 . ]" 1
69 1 7 U H4' 1 8 C H6 2.500 2.500 5.000 3.336 2.478 4.113 0.022 4 0 "[ . 1 . ]" 1
70 1 8 C H1' 1 8 C H6 2.000 . 4.000 3.627 3.437 3.752 . 0 0 "[ . 1 . ]" 1
71 1 8 C H2' 1 8 C H6 1.800 . 3.800 3.600 3.042 3.979 0.179 11 0 "[ . 1 . ]" 1
72 1 8 C H1' 1 8 C H5 3.000 3.000 7.000 5.367 5.255 5.465 . 0 0 "[ . 1 . ]" 1
73 1 8 C H1' 1 9 G H8 2.500 2.500 5.000 5.005 4.806 5.087 0.087 4 0 "[ . 1 . ]" 1
74 1 8 C H1' 1 9 G H1' 3.000 3.000 7.000 5.821 4.727 7.022 0.022 14 0 "[ . 1 . ]" 1
75 1 8 C H2' 1 9 G H8 1.800 . 3.200 2.326 2.292 2.368 . 0 0 "[ . 1 . ]" 1
76 1 8 C H2' 1 9 G H1' 2.500 2.500 5.000 4.402 3.744 4.901 . 0 0 "[ . 1 . ]" 1
77 1 8 C H3' 1 9 G H8 2.500 2.500 5.000 3.484 2.464 4.144 0.036 11 0 "[ . 1 . ]" 1
78 1 8 C H4' 1 9 G H8 3.000 3.000 7.000 5.705 5.159 6.059 . 0 0 "[ . 1 . ]" 1
79 1 8 C H6 1 9 G H8 2.500 2.500 5.000 5.028 5.004 5.068 0.068 2 0 "[ . 1 . ]" 1
80 1 9 G H1' 1 9 G H8 2.500 2.500 5.000 3.837 3.723 3.915 . 0 0 "[ . 1 . ]" 1
81 1 9 G H2' 1 9 G H8 2.500 2.500 5.000 3.679 3.149 4.103 . 0 0 "[ . 1 . ]" 1
82 1 9 G H1' 1 10 G H8 2.500 2.500 5.000 5.034 4.908 5.082 0.082 11 0 "[ . 1 . ]" 1
83 1 9 G H2' 1 10 G H8 1.800 . 3.200 2.326 2.301 2.346 . 0 0 "[ . 1 . ]" 1
84 1 9 G H2' 1 10 G H1' 2.500 2.500 5.000 3.664 3.241 4.257 . 0 0 "[ . 1 . ]" 1
85 1 9 G H3' 1 10 G H8 2.000 . 4.000 3.338 2.450 3.875 . 0 0 "[ . 1 . ]" 1
86 1 9 G H4' 1 10 G H8 3.000 3.000 7.000 5.644 5.204 5.922 . 0 0 "[ . 1 . ]" 1
87 1 9 G H8 1 10 G H8 2.500 2.500 5.000 4.856 4.104 5.044 0.044 1 0 "[ . 1 . ]" 1
88 1 10 G H1' 1 11 U H6 2.500 2.500 5.000 5.014 4.838 5.070 0.070 17 0 "[ . 1 . ]" 1
89 1 10 G H1' 1 11 U H5 3.000 3.000 6.000 5.541 5.258 5.804 . 0 0 "[ . 1 . ]" 1
90 1 10 G H2' 1 11 U H6 1.800 . 3.200 2.313 2.275 2.338 . 0 0 "[ . 1 . ]" 1
91 1 10 G H2' 1 11 U H5 2.000 . 4.000 3.517 3.277 3.705 . 0 0 "[ . 1 . ]" 1
92 1 10 G H2' 1 11 U H1' 2.500 2.500 5.000 3.984 3.515 4.603 . 0 0 "[ . 1 . ]" 1
93 1 10 G H3' 1 11 U H6 2.000 . 4.000 3.151 2.817 3.477 . 0 0 "[ . 1 . ]" 1
94 1 10 G H8 1 11 U H6 2.500 2.500 5.000 5.011 4.888 5.037 0.037 8 0 "[ . 1 . ]" 1
95 1 10 G H8 1 11 U H5 2.000 . 4.000 3.971 3.727 4.052 0.052 6 0 "[ . 1 . ]" 1
96 1 11 U H1' 1 11 U H6 2.000 . 4.000 3.570 3.532 3.634 . 0 0 "[ . 1 . ]" 1
97 1 11 U H2' 1 11 U H6 2.500 2.500 5.000 3.852 3.631 3.971 . 0 0 "[ . 1 . ]" 1
98 1 11 U H1' 1 11 U H5 3.000 3.000 7.000 5.343 5.312 5.388 . 0 0 "[ . 1 . ]" 1
99 1 11 U H1' 1 12 C H6 2.500 2.500 5.000 5.022 4.967 5.040 0.040 17 0 "[ . 1 . ]" 1
100 1 11 U H2' 1 12 C H1' 2.500 2.500 5.000 4.270 3.579 4.722 . 0 0 "[ . 1 . ]" 1
101 1 11 U H2' 1 12 C H6 1.800 . 3.200 2.289 2.247 2.323 . 0 0 "[ . 1 . ]" 1
102 1 11 U H2' 1 12 C H5 2.000 . 4.000 3.183 2.733 3.614 . 0 0 "[ . 1 . ]" 1
103 1 11 U H3' 1 12 C H6 2.000 . 4.000 2.776 2.537 2.944 . 0 0 "[ . 1 . ]" 1
104 1 11 U H4' 1 12 C H6 2.500 2.500 5.000 5.121 5.058 5.190 0.190 3 0 "[ . 1 . ]" 1
105 1 11 U H6 1 12 C H6 3.000 3.000 7.000 4.991 4.436 5.336 . 0 0 "[ . 1 . ]" 1
106 1 11 U H6 1 12 C H5 2.500 2.500 5.000 3.699 3.315 3.900 . 0 0 "[ . 1 . ]" 1
107 1 11 U H5 1 12 C H5 2.000 . 4.000 3.898 3.340 4.052 0.052 16 0 "[ . 1 . ]" 1
108 1 12 C H1' 1 12 C H6 2.000 . 4.000 3.593 3.509 3.674 . 0 0 "[ . 1 . ]" 1
109 1 12 C H2' 1 12 C H6 2.500 2.500 5.000 3.821 3.528 4.051 . 0 0 "[ . 1 . ]" 1
110 1 12 C H1' 1 13 U H6 2.500 2.500 5.000 5.054 5.012 5.132 0.132 16 0 "[ . 1 . ]" 1
111 1 12 C H2' 1 13 U H1' 3.000 3.000 7.000 3.529 2.948 4.292 0.052 15 0 "[ . 1 . ]" 1
112 1 12 C H2' 1 13 U H6 1.800 . 3.200 2.477 2.343 2.651 . 0 0 "[ . 1 . ]" 1
113 1 12 C H3' 1 13 U H6 2.000 . 5.000 2.379 2.279 2.824 . 0 0 "[ . 1 . ]" 1
114 1 12 C H4' 1 13 U H6 3.000 3.000 7.000 5.147 5.002 5.421 . 0 0 "[ . 1 . ]" 1
115 1 12 C H6 1 13 U H6 3.000 3.000 7.000 4.382 3.754 5.233 . 0 0 "[ . 1 . ]" 1
116 1 12 C H6 1 13 U H5 2.500 2.500 5.000 3.516 3.198 4.105 . 0 0 "[ . 1 . ]" 1
117 1 12 C H5 1 13 U H5 2.000 . 4.000 3.844 3.471 4.028 0.028 2 0 "[ . 1 . ]" 1
118 1 13 U H1' 1 13 U H6 2.000 . 4.000 3.542 3.420 3.612 . 0 0 "[ . 1 . ]" 1
119 1 13 U H2' 1 13 U H6 2.500 2.500 5.000 3.929 3.705 4.185 . 0 0 "[ . 1 . ]" 1
120 1 13 U H1' 1 14 U H5 3.000 3.000 5.000 3.400 2.891 4.384 0.109 7 0 "[ . 1 . ]" 1
121 1 13 U H3' 1 14 U H5 3.000 3.000 7.000 5.008 4.431 5.740 . 0 0 "[ . 1 . ]" 1
122 1 13 U H4' 1 14 U H5 2.000 . 4.000 3.017 2.293 4.111 0.111 11 0 "[ . 1 . ]" 1
123 1 13 U H2' 1 14 U H6 3.000 3.000 7.000 3.499 2.993 3.881 0.007 1 0 "[ . 1 . ]" 1
124 1 13 U H2' 1 14 U H5 2.000 . 4.000 4.158 4.021 4.262 0.262 3 0 "[ . 1 . ]" 1
125 1 13 U H6 1 14 U H5 3.000 3.000 7.000 5.933 5.146 6.863 . 0 0 "[ . 1 . ]" 1
126 1 13 U H3' 1 15 C H5 3.000 3.000 7.000 4.184 2.947 5.123 0.053 1 0 "[ . 1 . ]" 1
127 1 14 U H1' 1 14 U H6 2.000 . 4.000 3.590 3.189 3.750 . 0 0 "[ . 1 . ]" 1
128 1 14 U H2' 1 14 U H6 1.800 . 3.200 2.376 2.220 3.095 . 0 0 "[ . 1 . ]" 1
129 1 14 U H2' 1 15 C H6 2.500 2.500 5.000 2.634 2.341 3.699 0.159 9 0 "[ . 1 . ]" 1
130 1 14 U H2' 1 15 C H5 2.500 2.500 5.000 3.371 2.696 4.496 . 0 0 "[ . 1 . ]" 1
131 1 14 U H6 1 15 C H6 2.000 . 4.000 4.094 3.935 4.214 0.214 12 0 "[ . 1 . ]" 1
132 1 14 U H3' 1 15 C H5 2.000 . 4.000 2.711 2.312 4.055 0.055 15 0 "[ . 1 . ]" 1
133 1 14 U H4' 1 15 C H5 2.500 2.500 5.000 4.601 4.340 5.113 0.113 8 0 "[ . 1 . ]" 1
134 1 14 U H5' 1 15 C H5 2.000 . 4.000 3.942 2.704 4.101 0.101 9 0 "[ . 1 . ]" 1
135 1 14 U H5'' 1 15 C H5 2.000 . 4.000 3.081 2.330 3.653 . 0 0 "[ . 1 . ]" 1
136 1 15 C H1' 1 15 C H6 2.500 2.500 5.000 3.395 3.292 3.534 . 0 0 "[ . 1 . ]" 1
137 1 15 C H2' 1 15 C H6 2.000 . 4.000 3.458 2.267 3.837 . 0 0 "[ . 1 . ]" 1
138 1 15 C H2' 1 15 C H5 2.500 2.500 5.000 5.015 4.476 5.179 0.179 5 0 "[ . 1 . ]" 1
139 1 15 C H3' 1 16 G H1' 3.000 3.000 7.000 6.219 5.305 7.035 0.035 1 0 "[ . 1 . ]" 1
140 1 15 C H4' 1 16 G H1' 3.000 3.000 7.000 4.226 2.982 5.431 0.018 5 0 "[ . 1 . ]" 1
141 1 15 C H4' 1 16 G H3' 3.000 3.000 7.000 5.686 4.534 7.028 0.028 15 0 "[ . 1 . ]" 1
142 1 16 G H1' 1 16 G H8 1.800 . 3.200 3.048 2.923 3.167 . 0 0 "[ . 1 . ]" 1
143 1 16 G H2' 1 16 G H8 2.500 2.500 5.000 2.470 2.364 2.674 0.136 13 0 "[ . 1 . ]" 1
144 1 16 G H2' 1 17 G H8 2.500 2.500 5.000 3.617 3.234 3.919 . 0 0 "[ . 1 . ]" 1
145 1 16 G H3' 1 17 G H8 2.500 2.500 5.000 2.481 2.372 2.585 0.128 2 0 "[ . 1 . ]" 1
146 1 16 G H8 1 17 G H8 2.500 2.500 5.000 5.146 5.039 5.263 0.263 11 0 "[ . 1 . ]" 1
147 1 17 G H1' 1 17 G H8 2.000 . 4.000 3.831 3.746 3.910 . 0 0 "[ . 1 . ]" 1
148 1 17 G H2' 1 17 G H8 2.500 2.500 5.000 3.597 3.204 3.898 . 0 0 "[ . 1 . ]" 1
149 1 17 G H1' 1 18 A H8 2.500 2.500 5.000 4.826 4.634 5.018 0.018 10 0 "[ . 1 . ]" 1
150 1 17 G H2' 1 18 A H1' 2.500 2.500 5.000 3.846 3.166 4.495 . 0 0 "[ . 1 . ]" 1
151 1 17 G H2' 1 18 A H8 1.800 . 3.200 2.331 2.306 2.510 . 0 0 "[ . 1 . ]" 1
152 1 17 G H8 1 18 A H8 2.000 . 4.000 4.043 4.022 4.065 0.065 16 0 "[ . 1 . ]" 1
153 1 18 A H1' 1 18 A H8 2.500 2.500 5.000 3.817 3.710 3.898 . 0 0 "[ . 1 . ]" 1
154 1 18 A H2' 1 18 A H8 2.500 2.500 5.000 3.770 3.386 4.116 . 0 0 "[ . 1 . ]" 1
155 1 18 A H1' 1 18 A H2 3.000 3.000 7.000 4.635 4.493 4.822 . 0 0 "[ . 1 . ]" 1
156 1 18 A H1' 1 19 C H1' 3.000 3.000 7.000 5.472 4.350 6.446 . 0 0 "[ . 1 . ]" 1
157 1 18 A H1' 1 19 C H5 3.000 3.000 7.000 5.883 5.328 6.334 . 0 0 "[ . 1 . ]" 1
158 1 18 A H1' 1 19 C H6 2.500 2.500 5.000 5.035 4.971 5.072 0.072 1 0 "[ . 1 . ]" 1
159 1 18 A H2' 1 19 C H1' 2.500 2.500 5.000 3.986 3.517 4.343 . 0 0 "[ . 1 . ]" 1
160 1 18 A H2' 1 19 C H5 3.000 3.000 7.000 3.655 3.537 3.873 . 0 0 "[ . 1 . ]" 1
161 1 18 A H2' 1 19 C H6 2.000 . 4.000 2.310 2.279 2.338 . 0 0 "[ . 1 . ]" 1
162 1 18 A H3' 1 19 C H6 2.500 2.500 5.000 3.358 2.693 3.909 . 0 0 "[ . 1 . ]" 1
163 1 18 A H8 1 19 C H5 2.500 2.500 5.000 4.137 3.551 4.741 . 0 0 "[ . 1 . ]" 1
164 1 18 A H8 1 19 C H6 2.500 2.500 5.000 4.990 4.763 5.043 0.043 4 0 "[ . 1 . ]" 1
165 1 18 A H2 1 19 C H1' 2.000 . 4.000 4.010 3.666 4.062 0.062 3 0 "[ . 1 . ]" 1
166 1 18 A H2 1 19 C H6 3.000 3.000 7.000 5.998 5.378 6.576 . 0 0 "[ . 1 . ]" 1
167 1 12 C H1' 1 18 A H2 2.000 . 4.000 4.048 4.009 4.098 0.098 15 0 "[ . 1 . ]" 1
168 1 19 C H1' 1 19 C H6 2.000 . 4.000 3.643 3.559 3.683 . 0 0 "[ . 1 . ]" 1
169 1 19 C H2' 1 19 C H6 2.500 2.500 5.000 3.590 3.341 3.901 . 0 0 "[ . 1 . ]" 1
170 1 19 C H1' 1 19 C H5 3.000 3.000 7.000 5.381 5.321 5.414 . 0 0 "[ . 1 . ]" 1
171 1 19 C H1' 1 20 C H1' 3.000 3.000 7.000 6.330 5.623 6.907 . 0 0 "[ . 1 . ]" 1
172 1 19 C H1' 1 20 C H5 3.000 3.000 7.000 5.360 4.889 5.789 . 0 0 "[ . 1 . ]" 1
173 1 19 C H1' 1 20 C H6 2.500 2.500 5.000 5.047 4.987 5.071 0.071 10 0 "[ . 1 . ]" 1
174 1 19 C H2' 1 20 C H1' 2.500 2.500 5.000 4.284 3.748 4.734 . 0 0 "[ . 1 . ]" 1
175 1 19 C H2' 1 20 C H5 2.500 2.500 5.000 3.037 2.646 3.542 . 0 0 "[ . 1 . ]" 1
176 1 19 C H2' 1 20 C H6 2.000 . 4.000 2.318 2.294 2.336 . 0 0 "[ . 1 . ]" 1
177 1 19 C H3' 1 20 C H6 2.500 2.500 5.000 2.978 2.658 3.353 . 0 0 "[ . 1 . ]" 1
178 1 19 C H4' 1 20 C H6 2.500 2.500 5.000 5.083 5.040 5.150 0.150 1 0 "[ . 1 . ]" 1
179 1 19 C H5 1 20 C H5 2.500 2.500 5.000 4.219 3.020 4.991 . 0 0 "[ . 1 . ]" 1
180 1 19 C H5 1 20 C H6 3.000 3.000 7.000 6.177 5.335 6.469 . 0 0 "[ . 1 . ]" 1
181 1 19 C H6 1 20 C H5 2.500 2.500 5.000 3.820 2.768 4.478 . 0 0 "[ . 1 . ]" 1
182 1 19 C H6 1 20 C H6 2.500 2.500 5.000 4.959 4.259 5.081 0.081 16 0 "[ . 1 . ]" 1
183 1 20 C H1' 1 20 C H6 2.000 . 4.000 3.537 3.502 3.576 . 0 0 "[ . 1 . ]" 1
184 1 20 C H2' 1 20 C H6 2.500 2.500 5.000 3.985 3.884 4.072 . 0 0 "[ . 1 . ]" 1
185 1 20 C H1' 1 20 C H5 3.000 3.000 7.000 5.304 5.278 5.336 . 0 0 "[ . 1 . ]" 1
186 1 20 C H1' 1 21 G H8 2.500 2.500 5.000 4.983 4.908 5.032 0.032 17 0 "[ . 1 . ]" 1
187 1 20 C H2' 1 21 G H1' 2.500 2.500 5.000 4.149 3.732 4.759 . 0 0 "[ . 1 . ]" 1
188 1 20 C H2' 1 21 G H8 1.800 . 3.200 2.346 2.328 2.385 . 0 0 "[ . 1 . ]" 1
189 1 20 C H3' 1 21 G H8 2.000 . 4.000 3.095 2.808 3.439 . 0 0 "[ . 1 . ]" 1
190 1 20 C H5 1 21 G H8 3.000 3.000 7.000 5.643 5.575 5.740 . 0 0 "[ . 1 . ]" 1
191 1 20 C H6 1 21 G H8 2.500 2.500 5.000 5.036 4.992 5.077 0.077 10 0 "[ . 1 . ]" 1
192 1 21 G H1' 1 21 G H8 2.000 . 4.000 3.865 3.797 3.911 . 0 0 "[ . 1 . ]" 1
193 1 21 G H2' 1 21 G H8 2.500 2.500 5.000 3.547 3.190 3.906 . 0 0 "[ . 1 . ]" 1
194 1 21 G H1' 1 22 G H8 2.000 . 5.000 5.012 4.906 5.042 0.042 10 0 "[ . 1 . ]" 1
195 1 21 G H2' 1 22 G H1' 3.000 3.000 7.000 4.749 4.395 5.494 . 0 0 "[ . 1 . ]" 1
196 1 21 G H2' 1 22 G H8 1.800 . 3.200 2.320 2.297 2.396 . 0 0 "[ . 1 . ]" 1
197 1 21 G H3' 1 22 G H8 2.000 . 4.000 3.156 2.910 3.464 . 0 0 "[ . 1 . ]" 1
198 1 21 G H4' 1 22 G H8 2.500 2.500 5.000 5.060 5.005 5.111 0.111 15 0 "[ . 1 . ]" 1
199 1 21 G H8 1 22 G H8 2.500 2.500 5.000 5.050 5.021 5.084 0.084 10 0 "[ . 1 . ]" 1
200 1 22 G H1' 1 22 G H8 2.000 . 4.000 3.764 3.704 3.819 . 0 0 "[ . 1 . ]" 1
201 1 22 G H2' 1 22 G H8 2.500 2.500 5.000 4.025 3.852 4.175 . 0 0 "[ . 1 . ]" 1
202 1 22 G H3' 1 22 G H8 2.500 2.500 5.000 3.066 2.781 3.302 . 0 0 "[ . 1 . ]" 1
203 1 22 G H1' 1 23 C H1' 3.000 3.000 7.000 6.094 5.121 6.945 . 0 0 "[ . 1 . ]" 1
204 1 22 G H1' 1 23 C H5 3.000 3.000 7.000 5.405 4.886 5.891 . 0 0 "[ . 1 . ]" 1
205 1 22 G H1' 1 23 C H6 2.500 2.500 5.000 5.020 4.937 5.058 0.058 15 0 "[ . 1 . ]" 1
206 1 22 G H2' 1 23 C H1' 2.500 2.500 5.000 4.053 3.376 4.788 . 0 0 "[ . 1 . ]" 1
207 1 22 G H2' 1 23 C H5 2.500 2.500 5.000 3.527 3.218 3.863 . 0 0 "[ . 1 . ]" 1
208 1 22 G H2' 1 23 C H6 2.000 . 4.000 2.334 2.317 2.352 . 0 0 "[ . 1 . ]" 1
209 1 22 G H3' 1 23 C H6 2.500 2.500 5.000 2.825 2.506 3.207 . 0 0 "[ . 1 . ]" 1
210 1 22 G H8 1 23 C H5 2.500 2.500 5.000 3.638 3.175 4.148 . 0 0 "[ . 1 . ]" 1
211 1 22 G H8 1 23 C H6 2.500 2.500 5.000 4.935 4.580 5.021 0.021 10 0 "[ . 1 . ]" 1
212 1 23 C H1' 1 23 C H6 2.000 . 4.000 3.611 3.536 3.695 . 0 0 "[ . 1 . ]" 1
213 1 23 C H2' 1 23 C H6 2.500 2.500 5.000 3.706 3.318 3.957 . 0 0 "[ . 1 . ]" 1
214 1 23 C H1' 1 23 C H5 3.000 3.000 7.000 5.358 5.302 5.423 . 0 0 "[ . 1 . ]" 1
215 1 23 C H1' 1 24 U H5 3.000 3.000 7.000 5.903 5.390 6.302 . 0 0 "[ . 1 . ]" 1
216 1 23 C H1' 1 24 U H6 2.500 2.500 5.000 5.062 5.034 5.085 0.085 11 0 "[ . 1 . ]" 1
217 1 23 C H2' 1 24 U H1' 3.000 3.000 7.000 3.755 3.287 4.204 . 0 0 "[ . 1 . ]" 1
218 1 23 C H2' 1 24 U H5 3.000 3.000 7.000 3.631 3.152 4.129 . 0 0 "[ . 1 . ]" 1
219 1 23 C H2' 1 24 U H6 1.800 . 3.200 2.311 2.295 2.332 . 0 0 "[ . 1 . ]" 1
220 1 23 C H3' 1 24 U H6 2.500 2.500 5.000 3.069 2.662 3.612 . 0 0 "[ . 1 . ]" 1
221 1 23 C H5 1 24 U H5 2.500 2.500 5.000 4.446 3.988 5.008 0.008 14 0 "[ . 1 . ]" 1
222 1 23 C H5 1 24 U H6 3.000 3.000 7.000 5.964 5.771 6.156 . 0 0 "[ . 1 . ]" 1
223 1 23 C H6 1 24 U H5 3.000 3.000 7.000 4.378 3.769 4.813 . 0 0 "[ . 1 . ]" 1
224 1 23 C H6 1 24 U H6 2.500 2.500 5.000 5.004 4.944 5.035 0.035 17 0 "[ . 1 . ]" 1
225 1 24 U H1' 1 24 U H6 2.500 2.500 5.000 3.557 3.514 3.620 . 0 0 "[ . 1 . ]" 1
226 1 24 U H2' 1 24 U H6 2.500 2.500 5.000 3.848 3.608 4.020 . 0 0 "[ . 1 . ]" 1
227 1 24 U H1' 1 24 U H5 3.000 3.000 7.000 5.335 5.304 5.383 . 0 0 "[ . 1 . ]" 1
228 1 24 U H1' 1 25 U H5 3.000 3.000 7.000 5.937 5.350 6.339 . 0 0 "[ . 1 . ]" 1
229 1 24 U H1' 1 25 U H6 2.500 2.500 5.000 5.032 5.011 5.063 0.063 8 0 "[ . 1 . ]" 1
230 1 24 U H2' 1 25 U H1' 3.000 3.000 7.000 4.066 3.768 4.403 . 0 0 "[ . 1 . ]" 1
231 1 24 U H2' 1 25 U H5 3.000 3.000 7.000 3.380 3.104 3.629 . 0 0 "[ . 1 . ]" 1
232 1 24 U H2' 1 25 U H6 1.800 . 3.200 2.329 2.309 2.345 . 0 0 "[ . 1 . ]" 1
233 1 24 U H3' 1 25 U H6 2.000 . 4.000 3.519 3.135 3.761 . 0 0 "[ . 1 . ]" 1
234 1 24 U H5 1 25 U H5 3.000 3.000 7.000 5.474 4.298 6.267 . 0 0 "[ . 1 . ]" 1
235 1 24 U H5 1 25 U H6 3.000 3.000 7.000 6.758 6.168 7.026 0.026 17 0 "[ . 1 . ]" 1
236 1 24 U H6 1 25 U H5 3.000 3.000 7.000 5.200 4.243 5.961 . 0 0 "[ . 1 . ]" 1
237 1 24 U H6 1 25 U H6 3.000 3.000 7.000 5.727 5.278 5.965 . 0 0 "[ . 1 . ]" 1
238 1 25 U H1' 1 25 U H6 2.500 2.500 5.000 3.589 3.544 3.609 . 0 0 "[ . 1 . ]" 1
239 1 25 U H2' 1 25 U H6 2.500 2.500 5.000 3.811 3.725 3.945 . 0 0 "[ . 1 . ]" 1
240 1 25 U H1' 1 25 U H5 3.000 3.000 7.000 5.360 5.323 5.376 . 0 0 "[ . 1 . ]" 1
241 1 25 U H1' 1 26 C H6 2.500 2.500 5.000 5.010 4.942 5.044 0.044 17 0 "[ . 1 . ]" 1
242 1 25 U H2' 1 26 C H1' 3.000 3.000 7.000 4.195 3.532 4.886 . 0 0 "[ . 1 . ]" 1
243 1 25 U H2' 1 26 C H5 3.000 3.000 7.000 3.698 3.404 3.892 . 0 0 "[ . 1 . ]" 1
244 1 25 U H2' 1 26 C H6 2.000 . 4.000 2.333 2.320 2.345 . 0 0 "[ . 1 . ]" 1
245 1 25 U H3' 1 26 C H6 2.500 2.500 5.000 3.043 2.781 3.369 . 0 0 "[ . 1 . ]" 1
246 1 25 U H5 1 26 C H5 2.500 2.500 5.000 3.761 3.192 4.436 . 0 0 "[ . 1 . ]" 1
247 1 25 U H5 1 26 C H6 3.000 3.000 7.000 5.598 5.206 5.834 . 0 0 "[ . 1 . ]" 1
248 1 25 U H6 1 26 C H5 2.500 2.500 5.000 3.994 3.368 4.622 . 0 0 "[ . 1 . ]" 1
249 1 25 U H6 1 26 C H6 2.500 2.500 5.000 4.854 4.579 5.014 0.014 3 0 "[ . 1 . ]" 1
250 1 26 C H1' 1 26 C H6 2.500 2.500 5.000 3.595 3.558 3.632 . 0 0 "[ . 1 . ]" 1
251 1 26 C H2' 1 26 C H6 2.500 2.500 5.000 3.724 3.581 3.824 . 0 0 "[ . 1 . ]" 1
252 1 26 C H1' 1 27 C H6 2.500 2.500 5.000 4.994 4.915 5.027 0.027 7 0 "[ . 1 . ]" 1
253 1 26 C H2' 1 27 C H1' 3.000 3.000 7.000 4.726 3.781 5.634 . 0 0 "[ . 1 . ]" 1
254 1 26 C H2' 1 27 C H5 2.500 2.500 5.000 4.104 3.442 4.949 . 0 0 "[ . 1 . ]" 1
255 1 26 C H2' 1 27 C H6 2.000 . 4.000 2.517 2.335 2.920 . 0 0 "[ . 1 . ]" 1
256 1 26 C H3' 1 27 C H6 2.500 2.500 5.000 3.656 3.061 3.991 . 0 0 "[ . 1 . ]" 1
257 1 26 C H4' 1 27 C H6 3.000 3.000 7.000 6.093 5.682 6.406 . 0 0 "[ . 1 . ]" 1
258 1 26 C H5 1 27 C H5 2.500 2.500 5.000 3.440 3.017 3.770 . 0 0 "[ . 1 . ]" 1
259 1 26 C H6 1 27 C H5 2.500 2.500 5.000 4.186 3.393 4.752 . 0 0 "[ . 1 . ]" 1
260 1 26 C H6 1 27 C H6 2.500 2.500 5.000 4.704 4.262 5.016 0.016 14 0 "[ . 1 . ]" 1
261 1 27 C H1' 1 27 C H6 . 3.000 5.000 3.498 3.424 3.581 . 0 0 "[ . 1 . ]" 1
262 1 27 C H2' 1 27 C H6 2.500 2.500 5.000 4.025 3.793 4.201 . 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 49
_Distance_constraint_stats_list.Viol_count 439
_Distance_constraint_stats_list.Viol_total 130.804
_Distance_constraint_stats_list.Viol_max 0.123
_Distance_constraint_stats_list.Viol_rms 0.0143
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0092
_Distance_constraint_stats_list.Viol_average_violations_only 0.0175
_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 0.356 0.037 17 0 "[ . 1 . ]"
1 2 G 0.293 0.027 6 0 "[ . 1 . ]"
1 3 A 0.199 0.021 16 0 "[ . 1 . ]"
1 4 A 0.278 0.024 17 0 "[ . 1 . ]"
1 5 G 0.581 0.027 8 0 "[ . 1 . ]"
1 6 U 0.654 0.036 15 0 "[ . 1 . ]"
1 8 C 0.526 0.069 2 0 "[ . 1 . ]"
1 9 G 0.362 0.035 1 0 "[ . 1 . ]"
1 10 G 1.084 0.078 3 0 "[ . 1 . ]"
1 11 U 1.037 0.101 9 0 "[ . 1 . ]"
1 12 C 1.232 0.076 9 0 "[ . 1 . ]"
1 13 U 1.091 0.123 15 0 "[ . 1 . ]"
1 16 G 1.091 0.123 15 0 "[ . 1 . ]"
1 17 G 1.232 0.076 9 0 "[ . 1 . ]"
1 18 A 1.037 0.101 9 0 "[ . 1 . ]"
1 19 C 1.084 0.078 3 0 "[ . 1 . ]"
1 20 C 0.362 0.035 1 0 "[ . 1 . ]"
1 21 G 0.526 0.069 2 0 "[ . 1 . ]"
1 22 G 0.654 0.036 15 0 "[ . 1 . ]"
1 23 C 0.581 0.027 8 0 "[ . 1 . ]"
1 24 U 0.278 0.024 17 0 "[ . 1 . ]"
1 25 U 0.199 0.021 16 0 "[ . 1 . ]"
1 26 C 0.293 0.027 6 0 "[ . 1 . ]"
1 27 C 0.356 0.037 17 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 1.728 1.597 1.815 0.015 5 0 "[ . 1 . ]" 2
2 1 1 G H21 1 27 C N3 3.000 2.900 3.100 3.007 2.893 3.121 0.021 16 0 "[ . 1 . ]" 2
3 1 1 G H21 1 27 C O2 2.000 . 2.100 2.050 1.886 2.131 0.031 6 0 "[ . 1 . ]" 2
4 1 1 G H1 1 27 C N3 1.900 . 2.000 1.923 1.797 2.037 0.037 17 0 "[ . 1 . ]" 2
5 1 2 G O6 1 26 C H41 1.700 . 1.800 1.747 1.605 1.813 0.013 17 0 "[ . 1 . ]" 2
6 1 2 G H21 1 26 C N3 3.000 2.900 3.100 3.098 2.968 3.127 0.027 6 0 "[ . 1 . ]" 2
7 1 2 G H21 1 26 C O2 2.000 . 2.100 1.990 1.888 2.113 0.013 3 0 "[ . 1 . ]" 2
8 1 2 G H1 1 26 C N3 1.900 . 2.000 1.921 1.817 2.011 0.011 2 0 "[ . 1 . ]" 2
9 1 3 A H2 1 25 U O2 3.200 3.100 3.300 3.221 3.086 3.313 0.014 2 0 "[ . 1 . ]" 2
10 1 3 A N1 1 25 U H3 1.900 . 2.000 1.875 1.779 2.002 0.021 16 0 "[ . 1 . ]" 2
11 1 3 A H61 1 25 U O4 1.800 . 1.900 1.798 1.694 1.904 0.006 13 0 "[ . 1 . ]" 2
12 1 3 A H2 1 25 U H3 2.900 2.800 3.000 2.853 2.783 3.001 0.017 10 0 "[ . 1 . ]" 2
13 1 4 A H2 1 24 U O2 3.200 3.100 3.300 3.124 3.076 3.309 0.024 17 0 "[ . 1 . ]" 2
14 1 4 A N1 1 24 U H3 1.900 . 2.000 1.960 1.810 2.019 0.019 17 0 "[ . 1 . ]" 2
15 1 4 A H61 1 24 U O4 1.800 . 1.900 1.861 1.712 1.909 0.009 11 0 "[ . 1 . ]" 2
16 1 4 A H2 1 24 U H3 2.900 2.800 3.000 2.946 2.794 3.013 0.013 2 0 "[ . 1 . ]" 2
17 1 5 G O6 1 23 C H41 1.700 . 1.800 1.810 1.731 1.821 0.021 13 0 "[ . 1 . ]" 2
18 1 5 G H21 1 23 C N3 3.000 2.900 3.100 2.901 2.883 2.957 0.017 17 0 "[ . 1 . ]" 2
19 1 5 G H21 1 23 C O2 2.000 . 2.100 2.033 1.884 2.127 0.027 8 0 "[ . 1 . ]" 2
20 1 5 G H1 1 23 C N3 1.900 . 2.000 1.854 1.773 1.991 0.027 3 0 "[ . 1 . ]" 2
21 1 6 U O2 1 22 G H1 1.800 . 1.900 1.883 1.751 1.933 0.033 6 0 "[ . 1 . ]" 2
22 1 6 U H3 1 22 G H1 2.600 2.500 2.700 2.498 2.477 2.592 0.023 12 0 "[ . 1 . ]" 2
23 1 6 U H3 1 22 G O6 1.900 . 2.000 1.973 1.815 2.036 0.036 15 0 "[ . 1 . ]" 2
24 1 6 U O2 1 22 G O6 3.700 3.600 3.800 3.630 3.572 3.714 0.028 11 0 "[ . 1 . ]" 2
25 1 6 U N3 1 22 G N1 3.700 3.600 3.800 3.709 3.601 3.810 0.010 17 0 "[ . 1 . ]" 2
26 1 8 C H41 1 21 G O6 1.700 . 1.800 1.732 1.588 1.839 0.039 8 0 "[ . 1 . ]" 2
27 1 8 C N3 1 21 G H21 3.000 2.900 3.100 2.974 2.880 3.101 0.020 11 0 "[ . 1 . ]" 2
28 1 8 C O2 1 21 G H21 2.000 . 2.100 2.021 1.873 2.137 0.037 12 0 "[ . 1 . ]" 2
29 1 8 C N3 1 21 G H1 1.900 . 2.000 1.956 1.824 2.069 0.069 2 0 "[ . 1 . ]" 2
30 1 9 G O6 1 20 C H41 1.700 . 1.800 1.803 1.756 1.835 0.035 1 0 "[ . 1 . ]" 2
31 1 9 G H21 1 20 C N3 3.000 2.900 3.100 2.949 2.868 3.106 0.032 16 0 "[ . 1 . ]" 2
32 1 9 G H21 1 20 C O2 2.000 . 2.100 2.024 1.892 2.112 0.012 16 0 "[ . 1 . ]" 2
33 1 9 G H1 1 20 C N3 1.900 . 2.000 1.932 1.791 2.014 0.014 17 0 "[ . 1 . ]" 2
34 1 10 G O6 1 19 C H41 1.700 . 1.800 1.802 1.592 1.842 0.042 14 0 "[ . 1 . ]" 2
35 1 10 G H21 1 19 C N3 3.000 2.900 3.100 2.943 2.886 3.104 0.014 6 0 "[ . 1 . ]" 2
36 1 10 G H21 1 19 C O2 2.000 . 2.100 2.136 2.101 2.178 0.078 3 0 "[ . 1 . ]" 2
37 1 10 G H1 1 19 C N3 1.900 . 2.000 1.835 1.745 1.965 0.055 6 0 "[ . 1 . ]" 2
38 1 11 U O2 1 18 A H2 3.200 3.100 3.300 3.168 3.064 3.310 0.036 3 0 "[ . 1 . ]" 2
39 1 11 U H3 1 18 A N1 1.900 . 2.000 2.002 1.849 2.101 0.101 9 0 "[ . 1 . ]" 2
40 1 11 U O4 1 18 A H61 1.800 . 1.900 1.726 1.661 1.927 0.039 12 0 "[ . 1 . ]" 2
41 1 11 U H3 1 18 A H2 2.900 2.800 3.000 3.014 2.945 3.051 0.051 15 0 "[ . 1 . ]" 2
42 1 12 C H41 1 17 G O6 1.700 . 1.800 1.814 1.703 1.850 0.050 2 0 "[ . 1 . ]" 2
43 1 12 C N3 1 17 G H21 3.000 2.900 3.100 3.130 3.002 3.176 0.076 9 0 "[ . 1 . ]" 2
44 1 12 C O2 1 17 G H21 2.000 . 2.100 1.927 1.860 2.120 0.040 9 0 "[ . 1 . ]" 2
45 1 12 C N3 1 17 G H1 1.900 . 2.000 1.919 1.806 1.994 . 0 0 "[ . 1 . ]" 2
46 1 13 U O2 1 16 G H1 1.900 . 2.100 1.888 1.708 2.133 0.033 17 0 "[ . 1 . ]" 2
47 1 13 U O2 1 16 G H21 2.400 2.200 2.600 2.411 2.171 2.638 0.038 15 0 "[ . 1 . ]" 2
48 1 13 U H3 1 16 G H21 3.800 3.600 4.000 3.779 3.545 4.040 0.055 16 0 "[ . 1 . ]" 2
49 1 13 U H3 1 16 G H1 4.400 4.200 4.600 4.210 4.077 4.464 0.123 15 0 "[ . 1 . ]" 2
stop_
save_
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