NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
375808 |
1f7h   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1f7h
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 270
_Distance_constraint_stats_list.Viol_count 495
_Distance_constraint_stats_list.Viol_total 261.704
_Distance_constraint_stats_list.Viol_max 0.244
_Distance_constraint_stats_list.Viol_rms 0.0267
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0080
_Distance_constraint_stats_list.Viol_average_violations_only 0.0481
_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 2.561 0.191 9 0 "[ . 1 ]"
1 2 G 2.788 0.191 9 0 "[ . 1 ]"
1 3 A 0.656 0.078 9 0 "[ . 1 ]"
1 4 A 0.496 0.047 9 0 "[ . 1 ]"
1 5 G 0.347 0.050 9 0 "[ . 1 ]"
1 6 U 0.413 0.061 2 0 "[ . 1 ]"
1 7 C 0.441 0.061 2 0 "[ . 1 ]"
1 8 C 0.635 0.053 10 0 "[ . 1 ]"
1 9 G 0.971 0.053 10 0 "[ . 1 ]"
1 10 G 1.417 0.063 3 0 "[ . 1 ]"
1 11 U 3.709 0.169 11 0 "[ . 1 ]"
1 12 C 4.985 0.244 11 0 "[ . 1 ]"
1 13 U 2.602 0.244 11 0 "[ . 1 ]"
1 14 U 4.311 0.221 3 0 "[ . 1 ]"
1 15 C 5.484 0.231 8 0 "[ . 1 ]"
1 16 G 2.054 0.141 4 0 "[ . 1 ]"
1 17 G 2.484 0.141 4 0 "[ . 1 ]"
1 18 A 1.309 0.092 6 0 "[ . 1 ]"
1 19 C 1.272 0.078 11 0 "[ . 1 ]"
1 20 C 0.958 0.078 11 0 "[ . 1 ]"
1 21 G 1.775 0.133 6 0 "[ . 1 ]"
1 22 G 2.093 0.133 6 0 "[ . 1 ]"
1 23 C 1.066 0.101 10 0 "[ . 1 ]"
1 24 U 0.585 0.059 10 0 "[ . 1 ]"
1 25 U 0.361 0.047 1 0 "[ . 1 ]"
1 26 C 0.510 0.047 1 0 "[ . 1 ]"
1 27 C 0.216 0.041 9 0 "[ . 1 ]"
2 1 NCO 0.151 0.026 8 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 3.817 3.284 3.878 . 0 0 "[ . 1 ]" 1
2 1 1 G H2' 1 1 G H8 2.000 . 4.000 2.473 2.232 3.771 . 0 0 "[ . 1 ]" 1
3 1 1 G H1' 1 2 G H8 2.000 . 4.000 4.090 4.061 4.191 0.191 9 0 "[ . 1 ]" 1
4 1 1 G H2' 1 2 G H8 1.800 . 3.200 2.274 2.226 2.293 . 0 0 "[ . 1 ]" 1
5 1 1 G H2' 1 2 G H1' 2.500 2.500 5.000 4.881 3.116 5.071 0.071 7 0 "[ . 1 ]" 1
6 1 1 G H3' 1 2 G H8 2.000 . 4.000 3.744 2.169 4.090 0.090 3 0 "[ . 1 ]" 1
7 1 1 G H4' 1 2 G H8 2.500 2.500 5.000 4.949 4.831 5.050 0.050 11 0 "[ . 1 ]" 1
8 1 1 G H8 1 2 G H8 2.500 2.500 4.500 4.220 2.682 4.535 0.035 3 0 "[ . 1 ]" 1
9 1 2 G H1' 1 2 G H8 2.000 . 4.000 3.741 3.613 3.784 . 0 0 "[ . 1 ]" 1
10 1 2 G H2' 1 2 G H8 2.000 . 5.000 4.014 3.921 4.258 . 0 0 "[ . 1 ]" 1
11 1 2 G H1' 1 3 A H8 2.500 2.500 5.000 4.970 4.834 5.028 0.028 4 0 "[ . 1 ]" 1
12 1 2 G H2' 1 3 A H8 1.800 . 3.200 2.339 2.322 2.358 . 0 0 "[ . 1 ]" 1
13 1 2 G H2' 1 3 A H1' 2.500 2.500 5.000 4.268 3.305 4.765 . 0 0 "[ . 1 ]" 1
14 1 2 G H3' 1 3 A H8 2.500 2.500 5.000 3.108 2.701 3.464 . 0 0 "[ . 1 ]" 1
15 1 2 G H8 1 3 A H8 2.500 2.500 5.000 4.958 4.733 5.078 0.078 9 0 "[ . 1 ]" 1
16 1 3 A H1' 1 3 A H8 2.000 . 4.000 3.817 3.645 3.883 . 0 0 "[ . 1 ]" 1
17 1 3 A H2' 1 3 A H8 2.000 . 5.000 3.766 3.470 4.220 . 0 0 "[ . 1 ]" 1
18 1 3 A H1' 1 3 A H2 3.000 3.000 7.000 4.628 4.518 4.909 . 0 0 "[ . 1 ]" 1
19 1 3 A H1' 1 4 A H8 2.500 2.500 5.000 5.002 4.904 5.047 0.047 9 0 "[ . 1 ]" 1
20 1 3 A H2' 1 4 A H8 1.800 . 3.200 2.337 2.319 2.348 . 0 0 "[ . 1 ]" 1
21 1 3 A H2' 1 4 A H1' 3.000 3.000 7.000 3.843 3.501 4.318 . 0 0 "[ . 1 ]" 1
22 1 3 A H3' 1 4 A H8 2.500 2.500 5.000 3.475 2.814 3.893 . 0 0 "[ . 1 ]" 1
23 1 3 A H4' 1 4 A H8 3.000 3.000 7.000 5.816 5.419 5.970 . 0 0 "[ . 1 ]" 1
24 1 3 A H8 1 4 A H8 2.500 2.500 5.000 4.943 4.503 5.029 0.029 11 0 "[ . 1 ]" 1
25 1 3 A H2 1 4 A H1' 2.000 . 4.000 3.767 2.989 4.012 0.012 8 0 "[ . 1 ]" 1
26 1 3 A H2 1 4 A H2 2.000 . 5.000 4.934 4.651 5.020 0.020 1 0 "[ . 1 ]" 1
27 1 3 A H2 1 26 C H1' 2.000 . 4.000 3.953 3.430 4.040 0.040 9 0 "[ . 1 ]" 1
28 1 4 A H1' 1 4 A H8 2.000 . 4.000 3.775 3.721 3.829 . 0 0 "[ . 1 ]" 1
29 1 4 A H2' 1 4 A H8 2.000 . 5.000 3.893 3.733 4.041 . 0 0 "[ . 1 ]" 1
30 1 4 A H1' 1 4 A H2 3.000 3.000 7.000 4.685 4.589 4.778 . 0 0 "[ . 1 ]" 1
31 1 4 A H1' 1 5 G H8 2.500 2.500 5.000 4.994 4.941 5.032 0.032 9 0 "[ . 1 ]" 1
32 1 4 A H2' 1 5 G H8 1.800 . 3.200 2.441 2.340 2.610 . 0 0 "[ . 1 ]" 1
33 1 4 A H2' 1 5 G H1' 2.500 2.500 5.000 4.679 4.352 5.008 0.008 2 0 "[ . 1 ]" 1
34 1 4 A H3' 1 5 G H8 2.500 2.500 5.000 3.748 3.362 4.225 . 0 0 "[ . 1 ]" 1
35 1 4 A H4' 1 5 G H8 3.000 3.000 7.000 6.090 5.981 6.323 . 0 0 "[ . 1 ]" 1
36 1 4 A H8 1 5 G H8 3.000 3.000 7.000 4.966 4.083 5.314 . 0 0 "[ . 1 ]" 1
37 1 4 A H2 1 5 G H1' 2.500 2.500 5.000 4.245 3.148 5.006 0.006 10 0 "[ . 1 ]" 1
38 1 4 A H2 1 25 U H1' 2.000 . 4.000 3.712 3.411 3.958 . 0 0 "[ . 1 ]" 1
39 1 5 G H1' 1 5 G H8 2.000 . 4.000 3.858 3.813 3.913 . 0 0 "[ . 1 ]" 1
40 1 5 G H2' 1 5 G H8 1.800 . 3.200 3.069 2.719 3.250 0.050 9 0 "[ . 1 ]" 1
41 1 5 G H3' 1 5 G H8 2.500 2.500 5.000 4.549 2.805 4.926 . 0 0 "[ . 1 ]" 1
42 1 5 G H1' 1 6 U H3' 2.000 . 5.000 4.486 3.673 4.868 . 0 0 "[ . 1 ]" 1
43 1 5 G H2' 1 6 U H5 3.000 3.000 7.000 6.582 5.741 7.022 0.022 5 0 "[ . 1 ]" 1
44 1 5 G H1' 1 7 C H6 3.000 3.000 7.000 6.063 4.682 6.954 . 0 0 "[ . 1 ]" 1
45 1 5 G H1' 1 7 C H5 2.500 2.500 5.000 4.134 2.975 4.954 . 0 0 "[ . 1 ]" 1
46 1 5 G H2' 1 7 C H6 2.500 2.500 5.000 4.907 4.586 5.023 0.023 8 0 "[ . 1 ]" 1
47 1 5 G H2' 1 7 C H5 2.000 . 4.000 3.091 2.396 3.659 . 0 0 "[ . 1 ]" 1
48 1 5 G H8 1 7 C H5 3.000 3.000 7.000 5.363 4.870 5.709 . 0 0 "[ . 1 ]" 1
49 1 6 U H1' 1 6 U H6 2.000 . 4.000 3.645 3.614 3.723 . 0 0 "[ . 1 ]" 1
50 1 6 U H2' 1 6 U H6 1.800 . 3.200 3.038 2.378 3.223 0.023 10 0 "[ . 1 ]" 1
51 1 6 U H3' 1 6 U H6 2.000 . 4.000 3.886 3.333 4.033 0.033 7 0 "[ . 1 ]" 1
52 1 6 U H1' 1 7 C H5 2.500 2.500 5.000 5.004 4.938 5.061 0.061 2 0 "[ . 1 ]" 1
53 1 6 U H1' 1 7 C H6 3.000 3.000 7.000 4.522 3.881 5.212 . 0 0 "[ . 1 ]" 1
54 1 6 U H2' 1 7 C H5 2.500 2.500 5.000 2.865 2.463 3.916 0.037 2 0 "[ . 1 ]" 1
55 1 6 U H2' 1 7 C H6 2.500 2.500 5.000 3.598 2.748 4.283 . 0 0 "[ . 1 ]" 1
56 1 6 U H3' 1 7 C H6 3.000 3.000 7.000 3.748 3.147 4.574 . 0 0 "[ . 1 ]" 1
57 1 7 C H1' 1 7 C H6 2.000 . 4.000 3.554 3.427 3.666 . 0 0 "[ . 1 ]" 1
58 1 7 C H2' 1 7 C H6 2.500 2.500 5.000 3.822 3.458 4.162 . 0 0 "[ . 1 ]" 1
59 1 7 C H1' 1 7 C H5 3.000 3.000 7.000 5.318 5.224 5.400 . 0 0 "[ . 1 ]" 1
60 1 7 C H1' 1 8 C H6 2.500 2.500 5.000 4.961 4.786 5.048 0.048 6 0 "[ . 1 ]" 1
61 1 7 C H2' 1 8 C H6 1.800 . 3.200 2.376 2.343 2.488 . 0 0 "[ . 1 ]" 1
62 1 7 C H3' 1 8 C H6 2.500 2.500 5.000 3.839 3.365 4.109 . 0 0 "[ . 1 ]" 1
63 1 7 C H6 1 8 C H6 3.000 3.000 7.000 5.977 5.576 6.379 . 0 0 "[ . 1 ]" 1
64 1 7 C H6 1 8 C H5 2.500 2.500 5.000 4.995 4.953 5.030 0.030 3 0 "[ . 1 ]" 1
65 1 7 C H5 1 8 C H5 3.000 3.000 7.000 5.339 5.129 5.527 . 0 0 "[ . 1 ]" 1
66 1 8 C H1' 1 8 C H6 2.000 . 4.000 3.640 3.567 3.684 . 0 0 "[ . 1 ]" 1
67 1 8 C H2' 1 8 C H6 2.500 2.500 5.000 3.621 3.393 3.891 . 0 0 "[ . 1 ]" 1
68 1 8 C H1' 1 8 C H5 3.000 3.000 7.000 5.384 5.330 5.416 . 0 0 "[ . 1 ]" 1
69 1 8 C H1' 1 9 G H8 2.500 2.500 5.000 5.012 4.973 5.033 0.033 9 0 "[ . 1 ]" 1
70 1 8 C H1' 1 9 G H1' 3.000 3.000 7.000 5.176 4.086 5.872 . 0 0 "[ . 1 ]" 1
71 1 8 C H2' 1 9 G H8 1.800 . 3.200 2.334 2.319 2.363 . 0 0 "[ . 1 ]" 1
72 1 8 C H2' 1 9 G H1' 2.500 2.500 5.000 4.010 3.465 4.576 . 0 0 "[ . 1 ]" 1
73 1 8 C H3' 1 9 G H8 2.500 2.500 5.000 3.529 3.253 3.880 . 0 0 "[ . 1 ]" 1
74 1 8 C H6 1 9 G H8 2.500 2.500 5.000 5.025 5.006 5.053 0.053 10 0 "[ . 1 ]" 1
75 1 9 G H1' 1 9 G H8 2.500 2.500 5.000 3.829 3.784 3.898 . 0 0 "[ . 1 ]" 1
76 1 9 G H2' 1 9 G H8 2.500 2.500 5.000 3.732 3.359 3.922 . 0 0 "[ . 1 ]" 1
77 1 9 G H1' 1 10 G H8 2.500 2.500 5.000 5.010 4.863 5.050 0.050 11 0 "[ . 1 ]" 1
78 1 9 G H2' 1 10 G H8 1.800 . 3.200 2.332 2.312 2.418 . 0 0 "[ . 1 ]" 1
79 1 9 G H2' 1 10 G H1' 2.500 2.500 5.000 4.238 3.796 5.008 0.008 1 0 "[ . 1 ]" 1
80 1 9 G H3' 1 10 G H8 2.000 . 4.000 3.588 3.266 3.952 . 0 0 "[ . 1 ]" 1
81 1 9 G H8 1 10 G H8 2.500 2.500 5.000 5.005 4.817 5.048 0.048 3 0 "[ . 1 ]" 1
82 1 10 G H1' 1 11 U H6 2.500 2.500 5.000 5.031 4.980 5.063 0.063 10 0 "[ . 1 ]" 1
83 1 10 G H1' 1 11 U H5 3.000 3.000 6.000 5.194 4.680 5.523 . 0 0 "[ . 1 ]" 1
84 1 10 G H2' 1 11 U H6 1.800 . 3.200 2.333 2.296 2.415 . 0 0 "[ . 1 ]" 1
85 1 10 G H2' 1 11 U H5 2.000 . 4.000 3.099 2.613 3.676 . 0 0 "[ . 1 ]" 1
86 1 10 G H2' 1 11 U H1' 2.500 2.500 5.000 4.654 4.309 5.036 0.036 11 0 "[ . 1 ]" 1
87 1 10 G H3' 1 11 U H6 2.500 2.500 5.000 3.455 2.941 3.960 . 0 0 "[ . 1 ]" 1
88 1 10 G H8 1 11 U H6 2.500 2.500 5.000 5.035 5.007 5.063 0.063 3 0 "[ . 1 ]" 1
89 1 10 G H8 1 11 U H5 2.000 . 4.000 3.671 3.308 4.038 0.038 11 0 "[ . 1 ]" 1
90 1 11 U H1' 1 11 U H6 2.000 . 4.000 3.644 3.569 3.739 . 0 0 "[ . 1 ]" 1
91 1 11 U H2' 1 11 U H6 2.500 2.500 5.000 3.558 2.764 3.872 . 0 0 "[ . 1 ]" 1
92 1 11 U H1' 1 11 U H5 3.000 3.000 7.000 5.393 5.331 5.466 . 0 0 "[ . 1 ]" 1
93 1 11 U H1' 1 12 C H6 2.000 . 4.000 4.129 4.102 4.169 0.169 11 0 "[ . 1 ]" 1
94 1 11 U H2' 1 12 C H1' 2.500 2.500 5.000 5.026 4.933 5.106 0.106 11 0 "[ . 1 ]" 1
95 1 11 U H2' 1 12 C H6 1.800 . 3.200 2.186 2.119 2.213 . 0 0 "[ . 1 ]" 1
96 1 11 U H2' 1 12 C H5 2.000 . 4.000 3.531 2.335 3.830 . 0 0 "[ . 1 ]" 1
97 1 11 U H3' 1 12 C H6 2.000 . 4.000 4.089 4.052 4.124 0.124 4 0 "[ . 1 ]" 1
98 1 11 U H6 1 12 C H6 3.000 3.000 7.000 4.872 4.742 4.997 . 0 0 "[ . 1 ]" 1
99 1 11 U H6 1 12 C H5 2.500 2.500 5.000 4.288 3.680 4.528 . 0 0 "[ . 1 ]" 1
100 1 11 U H5 1 12 C H5 2.000 . 4.000 3.920 3.732 4.077 0.077 11 0 "[ . 1 ]" 1
101 1 12 C H1' 1 12 C H6 2.000 . 4.000 3.441 3.407 3.552 . 0 0 "[ . 1 ]" 1
102 1 12 C H2' 1 12 C H6 2.500 2.500 5.000 4.101 3.792 4.193 . 0 0 "[ . 1 ]" 1
103 1 12 C H1' 1 13 U H6 2.000 . 4.000 4.185 4.166 4.244 0.244 11 0 "[ . 1 ]" 1
104 1 12 C H2' 1 13 U H1' 3.000 3.000 7.000 3.869 3.646 4.171 . 0 0 "[ . 1 ]" 1
105 1 12 C H2' 1 13 U H6 1.800 . 3.200 2.263 2.251 2.272 . 0 0 "[ . 1 ]" 1
106 1 12 C H3' 1 13 U H6 2.000 . 4.000 2.292 2.270 2.322 . 0 0 "[ . 1 ]" 1
107 1 12 C H6 1 13 U H6 3.000 3.000 7.000 3.489 3.137 3.640 . 0 0 "[ . 1 ]" 1
108 1 12 C H6 1 13 U H5 2.500 2.500 5.000 3.052 2.610 3.389 . 0 0 "[ . 1 ]" 1
109 1 12 C H5 1 13 U H5 2.500 2.500 5.000 2.991 2.723 3.150 . 0 0 "[ . 1 ]" 1
110 1 13 U H1' 1 13 U H6 2.000 . 4.000 3.369 3.344 3.404 . 0 0 "[ . 1 ]" 1
111 1 13 U H2' 1 13 U H6 2.500 2.500 5.000 4.197 4.161 4.262 . 0 0 "[ . 1 ]" 1
112 1 13 U H1' 1 14 U H5 3.000 3.000 7.000 5.594 3.419 6.968 . 0 0 "[ . 1 ]" 1
113 1 13 U H3' 1 14 U H5 3.000 3.000 7.000 4.984 4.367 6.686 . 0 0 "[ . 1 ]" 1
114 1 13 U H4' 1 14 U H5 2.000 . 4.000 3.067 2.327 4.089 0.089 4 0 "[ . 1 ]" 1
115 1 13 U H2' 1 14 U H6 3.000 3.000 7.000 4.642 3.458 5.169 . 0 0 "[ . 1 ]" 1
116 1 13 U H1' 1 15 C H5 2.500 2.500 5.000 4.101 3.588 5.092 0.092 10 0 "[ . 1 ]" 1
117 1 13 U H2' 1 15 C H5 2.000 . 4.000 3.604 2.278 4.055 0.055 3 0 "[ . 1 ]" 1
118 1 13 U H2' 1 15 C H6 3.000 3.000 7.000 3.738 2.981 4.010 0.019 10 0 "[ . 1 ]" 1
119 1 13 U H3' 1 15 C H5 3.000 3.000 7.000 4.381 3.275 4.692 . 0 0 "[ . 1 ]" 1
120 1 13 U H6 1 15 C H5 3.000 3.000 7.000 6.313 5.880 6.712 . 0 0 "[ . 1 ]" 1
121 1 14 U H1' 1 14 U H6 2.000 . 4.000 3.743 3.730 3.751 . 0 0 "[ . 1 ]" 1
122 1 14 U H2' 1 14 U H6 1.800 . 3.200 2.313 2.278 2.347 . 0 0 "[ . 1 ]" 1
123 1 14 U H2' 1 15 C H6 2.500 2.500 5.000 3.443 3.013 3.599 . 0 0 "[ . 1 ]" 1
124 1 14 U H2' 1 15 C H5 2.500 2.500 5.000 3.393 2.702 5.013 0.013 10 0 "[ . 1 ]" 1
125 1 14 U H3' 1 15 C H5 2.000 . 4.000 3.740 3.540 4.078 0.078 10 0 "[ . 1 ]" 1
126 1 14 U H3' 1 15 C H6 2.000 . 4.000 2.469 2.212 2.626 . 0 0 "[ . 1 ]" 1
127 1 14 U H4' 1 15 C H5 2.500 2.500 5.000 4.890 3.798 5.167 0.167 4 0 "[ . 1 ]" 1
128 1 14 U H4' 1 15 C H6 2.000 . 4.000 4.203 4.164 4.221 0.221 3 0 "[ . 1 ]" 1
129 1 14 U H5' 1 15 C H5 2.000 . 4.000 3.323 2.224 3.708 . 0 0 "[ . 1 ]" 1
130 1 14 U H5'' 1 15 C H5 2.000 . 4.000 2.424 2.252 3.419 . 0 0 "[ . 1 ]" 1
131 1 14 U H6 1 15 C H6 2.000 . 4.000 4.089 3.836 4.208 0.208 5 0 "[ . 1 ]" 1
132 1 15 C H2' 1 15 C H5 2.500 2.500 5.000 4.712 4.347 5.231 0.231 8 0 "[ . 1 ]" 1
133 1 15 C H1' 1 15 C H6 2.500 2.500 5.000 3.422 3.345 3.754 . 0 0 "[ . 1 ]" 1
134 1 15 C H2' 1 15 C H6 2.000 . 4.000 2.685 2.295 3.764 . 0 0 "[ . 1 ]" 1
135 1 15 C H3' 1 16 G H1' 3.000 3.000 7.000 6.044 4.569 7.046 0.046 10 0 "[ . 1 ]" 1
136 1 15 C H4' 1 16 G H1' 3.000 3.000 7.000 4.586 3.674 6.076 . 0 0 "[ . 1 ]" 1
137 1 15 C H4' 1 16 G H3' 3.000 3.000 7.000 6.515 4.898 7.108 0.108 4 0 "[ . 1 ]" 1
138 1 16 G H1' 1 16 G H8 1.800 . 3.200 2.913 2.796 3.001 . 0 0 "[ . 1 ]" 1
139 1 16 G H2' 1 16 G H8 2.500 2.500 5.000 2.774 2.548 3.036 . 0 0 "[ . 1 ]" 1
140 1 16 G H1' 1 17 G H1' 2.500 2.500 5.000 5.038 4.942 5.090 0.090 9 0 "[ . 1 ]" 1
141 1 16 G H2' 1 17 G H8 2.500 2.500 5.000 3.131 2.560 3.524 . 0 0 "[ . 1 ]" 1
142 1 16 G H3' 1 17 G H1' 2.500 2.500 5.000 4.728 4.368 5.141 0.141 4 0 "[ . 1 ]" 1
143 1 16 G H3' 1 17 G H8 2.500 2.500 5.000 2.483 2.402 2.590 0.098 10 0 "[ . 1 ]" 1
144 1 16 G H8 1 17 G H8 2.500 2.500 5.000 5.056 4.991 5.113 0.113 1 0 "[ . 1 ]" 1
145 1 17 G H1' 1 17 G H8 2.000 . 4.000 3.856 3.795 3.884 . 0 0 "[ . 1 ]" 1
146 1 17 G H2' 1 17 G H8 2.500 2.500 5.000 3.567 3.363 3.881 . 0 0 "[ . 1 ]" 1
147 1 17 G H1' 1 18 A H8 2.500 2.500 5.000 4.769 4.562 4.921 . 0 0 "[ . 1 ]" 1
148 1 17 G H2' 1 18 A H1' 2.500 2.500 5.000 3.789 3.482 4.130 . 0 0 "[ . 1 ]" 1
149 1 17 G H2' 1 18 A H8 1.800 . 3.200 2.326 2.305 2.339 . 0 0 "[ . 1 ]" 1
150 1 17 G H8 1 18 A H8 2.000 . 4.000 4.055 4.035 4.092 0.092 6 0 "[ . 1 ]" 1
151 1 18 A H1' 1 18 A H8 2.500 2.500 5.000 3.757 3.667 3.885 . 0 0 "[ . 1 ]" 1
152 1 18 A H2' 1 18 A H8 2.500 2.500 5.000 3.944 3.487 4.172 . 0 0 "[ . 1 ]" 1
153 1 18 A H1' 1 18 A H2 3.000 3.000 7.000 4.721 4.507 4.867 . 0 0 "[ . 1 ]" 1
154 1 18 A H1' 1 19 C H1' 3.000 3.000 7.000 6.028 4.680 6.813 . 0 0 "[ . 1 ]" 1
155 1 18 A H1' 1 19 C H5 3.000 3.000 7.000 5.673 5.333 6.192 . 0 0 "[ . 1 ]" 1
156 1 18 A H1' 1 19 C H6 2.500 2.500 5.000 5.026 4.998 5.071 0.071 6 0 "[ . 1 ]" 1
157 1 18 A H2' 1 19 C H1' 2.500 2.500 5.000 4.292 3.494 4.792 . 0 0 "[ . 1 ]" 1
158 1 18 A H2' 1 19 C H5 2.000 . 4.000 3.660 3.581 3.756 . 0 0 "[ . 1 ]" 1
159 1 18 A H2' 1 19 C H6 2.000 . 4.000 2.323 2.297 2.340 . 0 0 "[ . 1 ]" 1
160 1 18 A H3' 1 19 C H6 2.500 2.500 5.000 3.351 3.050 3.820 . 0 0 "[ . 1 ]" 1
161 1 18 A H8 1 19 C H5 2.500 2.500 5.000 4.010 3.679 4.581 . 0 0 "[ . 1 ]" 1
162 1 18 A H8 1 19 C H6 2.500 2.500 5.000 5.025 4.978 5.048 0.048 2 0 "[ . 1 ]" 1
163 1 18 A H2 1 19 C H1' 2.000 . 4.000 3.928 3.526 4.023 0.023 4 0 "[ . 1 ]" 1
164 1 12 C H1' 1 18 A H2 2.500 2.500 5.000 4.649 3.877 5.023 0.023 11 0 "[ . 1 ]" 1
165 1 19 C H1' 1 19 C H6 2.000 . 4.000 3.663 3.605 3.697 . 0 0 "[ . 1 ]" 1
166 1 19 C H2' 1 19 C H6 2.500 2.500 5.000 3.480 3.313 3.712 . 0 0 "[ . 1 ]" 1
167 1 19 C H1' 1 19 C H5 3.000 3.000 7.000 5.399 5.358 5.427 . 0 0 "[ . 1 ]" 1
168 1 19 C H1' 1 20 C H1' 3.000 3.000 7.000 6.493 6.129 6.983 . 0 0 "[ . 1 ]" 1
169 1 19 C H1' 1 20 C H5 3.000 3.000 7.000 5.467 5.179 6.020 . 0 0 "[ . 1 ]" 1
170 1 19 C H1' 1 20 C H6 2.500 2.500 5.000 4.993 4.861 5.078 0.078 11 0 "[ . 1 ]" 1
171 1 19 C H2' 1 20 C H1' 2.500 2.500 5.000 4.820 4.330 5.031 0.031 1 0 "[ . 1 ]" 1
172 1 19 C H2' 1 20 C H5 2.500 2.500 5.000 3.373 2.926 3.743 . 0 0 "[ . 1 ]" 1
173 1 19 C H2' 1 20 C H6 2.000 . 4.000 2.319 2.289 2.348 . 0 0 "[ . 1 ]" 1
174 1 19 C H3' 1 20 C H6 3.000 3.000 7.000 3.727 3.338 4.039 . 0 0 "[ . 1 ]" 1
175 1 19 C H5 1 20 C H5 2.500 2.500 5.000 3.909 3.025 4.420 . 0 0 "[ . 1 ]" 1
176 1 19 C H5 1 20 C H6 3.000 3.000 7.000 5.755 4.993 6.044 . 0 0 "[ . 1 ]" 1
177 1 19 C H6 1 20 C H5 2.500 2.500 5.000 4.138 3.658 4.589 . 0 0 "[ . 1 ]" 1
178 1 19 C H6 1 20 C H6 2.500 2.500 5.000 4.968 4.405 5.069 0.069 6 0 "[ . 1 ]" 1
179 1 20 C H1' 1 20 C H6 2.000 . 4.000 3.679 3.605 3.709 . 0 0 "[ . 1 ]" 1
180 1 20 C H2' 1 20 C H6 2.500 2.500 5.000 3.396 3.226 3.763 . 0 0 "[ . 1 ]" 1
181 1 20 C H1' 1 20 C H5 3.000 3.000 7.000 5.411 5.351 5.434 . 0 0 "[ . 1 ]" 1
182 1 20 C H1' 1 21 G H8 2.500 2.500 5.000 4.990 4.905 5.018 0.018 3 0 "[ . 1 ]" 1
183 1 20 C H2' 1 21 G H1' 2.500 2.500 5.000 4.368 3.791 5.028 0.028 1 0 "[ . 1 ]" 1
184 1 20 C H2' 1 21 G H8 1.800 . 3.200 2.373 2.310 2.589 . 0 0 "[ . 1 ]" 1
185 1 20 C H3' 1 21 G H8 2.500 2.500 5.000 3.920 3.447 4.309 . 0 0 "[ . 1 ]" 1
186 1 20 C H5 1 21 G H8 3.000 3.000 7.000 5.768 5.039 5.975 . 0 0 "[ . 1 ]" 1
187 1 20 C H6 1 21 G H8 2.500 2.500 5.000 4.991 4.658 5.045 0.045 10 0 "[ . 1 ]" 1
188 1 21 G H1' 1 21 G H8 2.000 . 4.000 3.835 3.698 3.918 . 0 0 "[ . 1 ]" 1
189 1 21 G H2' 1 21 G H8 2.500 2.500 5.000 3.604 2.819 4.164 . 0 0 "[ . 1 ]" 1
190 1 21 G H1' 1 22 G H8 2.500 2.500 5.000 4.919 4.339 5.058 0.058 8 0 "[ . 1 ]" 1
191 1 21 G H2' 1 22 G H1' 3.000 3.000 7.000 4.457 3.997 5.125 . 0 0 "[ . 1 ]" 1
192 1 21 G H2' 1 22 G H8 1.800 . 3.200 2.308 2.288 2.329 . 0 0 "[ . 1 ]" 1
193 1 21 G H3' 1 22 G H8 2.000 . 4.000 3.006 2.568 4.023 0.023 1 0 "[ . 1 ]" 1
194 1 21 G H4' 1 22 G H8 2.500 2.500 5.000 5.081 5.039 5.133 0.133 6 0 "[ . 1 ]" 1
195 1 21 G H8 1 22 G H8 2.500 2.500 5.000 4.904 4.663 5.059 0.059 3 0 "[ . 1 ]" 1
196 1 22 G H1' 1 22 G H8 2.000 . 4.000 3.781 3.703 3.828 . 0 0 "[ . 1 ]" 1
197 1 22 G H2' 1 22 G H8 2.500 2.500 5.000 3.961 3.805 4.162 . 0 0 "[ . 1 ]" 1
198 1 22 G H1' 1 23 C H1' 3.000 3.000 7.000 6.270 5.969 6.595 . 0 0 "[ . 1 ]" 1
199 1 22 G H1' 1 23 C H5 3.000 3.000 7.000 5.127 4.979 5.432 . 0 0 "[ . 1 ]" 1
200 1 22 G H1' 1 23 C H6 2.500 2.500 5.000 4.959 4.906 5.001 0.001 6 0 "[ . 1 ]" 1
201 1 22 G H2' 1 23 C H1' 2.500 2.500 5.000 3.975 3.725 4.278 . 0 0 "[ . 1 ]" 1
202 1 22 G H2' 1 23 C H5 2.000 . 4.000 3.489 3.306 3.677 . 0 0 "[ . 1 ]" 1
203 1 22 G H2' 1 23 C H6 2.000 . 4.000 2.339 2.323 2.362 . 0 0 "[ . 1 ]" 1
204 1 22 G H3' 1 23 C H6 2.000 . 4.000 2.354 2.333 2.466 . 0 0 "[ . 1 ]" 1
205 1 22 G H4' 1 23 C H6 2.500 2.500 5.000 5.060 5.039 5.101 0.101 10 0 "[ . 1 ]" 1
206 1 22 G H8 1 23 C H5 2.500 2.500 5.000 2.851 2.572 3.315 . 0 0 "[ . 1 ]" 1
207 1 22 G H8 1 23 C H6 2.500 2.500 5.000 4.509 4.225 4.861 . 0 0 "[ . 1 ]" 1
208 1 23 C H1' 1 23 C H6 2.000 . 4.000 3.583 3.549 3.623 . 0 0 "[ . 1 ]" 1
209 1 23 C H2' 1 23 C H6 2.500 2.500 5.000 3.858 3.746 3.952 . 0 0 "[ . 1 ]" 1
210 1 23 C H1' 1 23 C H5 3.000 3.000 7.000 5.340 5.318 5.369 . 0 0 "[ . 1 ]" 1
211 1 23 C H1' 1 24 U H5 3.000 3.000 7.000 5.702 5.256 6.088 . 0 0 "[ . 1 ]" 1
212 1 23 C H1' 1 24 U H6 2.500 2.500 5.000 5.016 4.954 5.044 0.044 7 0 "[ . 1 ]" 1
213 1 23 C H2' 1 24 U H1' 3.000 3.000 7.000 4.065 3.520 4.528 . 0 0 "[ . 1 ]" 1
214 1 23 C H2' 1 24 U H5 3.000 3.000 7.000 3.722 3.277 3.957 . 0 0 "[ . 1 ]" 1
215 1 23 C H2' 1 24 U H6 1.800 . 3.200 2.326 2.304 2.338 . 0 0 "[ . 1 ]" 1
216 1 23 C H3' 1 24 U H6 2.500 2.500 5.000 3.100 2.957 3.372 . 0 0 "[ . 1 ]" 1
217 1 23 C H4' 1 24 U H6 3.000 3.000 7.000 5.586 5.477 5.722 . 0 0 "[ . 1 ]" 1
218 1 23 C H5 1 24 U H5 2.500 2.500 5.000 3.944 3.552 4.434 . 0 0 "[ . 1 ]" 1
219 1 23 C H5 1 24 U H6 3.000 3.000 7.000 5.669 5.367 5.788 . 0 0 "[ . 1 ]" 1
220 1 23 C H6 1 24 U H5 3.000 3.000 7.000 4.256 3.968 4.712 . 0 0 "[ . 1 ]" 1
221 1 23 C H6 1 24 U H6 2.500 2.500 5.000 4.962 4.685 5.059 0.059 10 0 "[ . 1 ]" 1
222 1 24 U H1' 1 24 U H6 2.500 2.500 5.000 3.557 3.483 3.622 . 0 0 "[ . 1 ]" 1
223 1 24 U H2' 1 24 U H6 2.500 2.500 5.000 3.821 3.629 4.003 . 0 0 "[ . 1 ]" 1
224 1 24 U H1' 1 24 U H5 3.000 3.000 7.000 5.333 5.280 5.381 . 0 0 "[ . 1 ]" 1
225 1 24 U H1' 1 25 U H5 3.000 3.000 7.000 6.089 5.702 6.420 . 0 0 "[ . 1 ]" 1
226 1 24 U H1' 1 25 U H6 2.500 2.500 5.000 4.999 4.828 5.027 0.027 4 0 "[ . 1 ]" 1
227 1 24 U H2' 1 25 U H1' 3.000 3.000 7.000 4.171 3.701 4.773 . 0 0 "[ . 1 ]" 1
228 1 24 U H2' 1 25 U H5 3.000 3.000 7.000 3.443 3.189 3.748 . 0 0 "[ . 1 ]" 1
229 1 24 U H2' 1 25 U H6 1.800 . 3.200 2.347 2.326 2.465 . 0 0 "[ . 1 ]" 1
230 1 24 U H3' 1 25 U H6 2.500 2.500 5.000 3.823 3.655 4.171 . 0 0 "[ . 1 ]" 1
231 1 24 U H5 1 25 U H5 3.000 3.000 7.000 5.860 4.852 6.263 . 0 0 "[ . 1 ]" 1
232 1 24 U H5 1 25 U H6 3.000 3.000 7.000 6.901 6.467 7.013 0.013 11 0 "[ . 1 ]" 1
233 1 24 U H6 1 25 U H5 3.000 3.000 7.000 5.595 4.789 6.032 . 0 0 "[ . 1 ]" 1
234 1 24 U H6 1 25 U H6 3.000 3.000 7.000 5.886 5.570 6.060 . 0 0 "[ . 1 ]" 1
235 1 25 U H1' 1 25 U H6 2.500 2.500 5.000 3.610 3.586 3.674 . 0 0 "[ . 1 ]" 1
236 1 25 U H2' 1 25 U H6 2.500 2.500 5.000 3.721 3.440 3.819 . 0 0 "[ . 1 ]" 1
237 1 25 U H1' 1 25 U H5 3.000 3.000 7.000 5.376 5.357 5.425 . 0 0 "[ . 1 ]" 1
238 1 25 U H1' 1 26 C H6 2.500 2.500 5.000 4.972 4.720 5.047 0.047 1 0 "[ . 1 ]" 1
239 1 25 U H2' 1 26 C H1' 3.000 3.000 7.000 4.747 4.428 5.116 . 0 0 "[ . 1 ]" 1
240 1 25 U H2' 1 26 C H5 3.000 3.000 7.000 3.659 3.371 3.938 . 0 0 "[ . 1 ]" 1
241 1 25 U H2' 1 26 C H6 2.000 . 4.000 2.336 2.320 2.349 . 0 0 "[ . 1 ]" 1
242 1 25 U H3' 1 26 C H6 2.000 . 4.000 3.360 2.946 3.968 . 0 0 "[ . 1 ]" 1
243 1 25 U H5 1 26 C H5 2.500 2.500 5.000 3.764 3.240 4.177 . 0 0 "[ . 1 ]" 1
244 1 25 U H5 1 26 C H6 3.000 3.000 7.000 5.592 5.387 5.791 . 0 0 "[ . 1 ]" 1
245 1 25 U H6 1 26 C H5 2.500 2.500 5.000 4.071 3.459 4.504 . 0 0 "[ . 1 ]" 1
246 1 25 U H6 1 26 C H6 2.500 2.500 5.000 4.897 4.685 5.043 0.043 9 0 "[ . 1 ]" 1
247 1 26 C H1' 1 26 C H6 2.500 2.500 5.000 3.626 3.564 3.705 . 0 0 "[ . 1 ]" 1
248 1 26 C H2' 1 26 C H6 2.500 2.500 5.000 3.611 3.301 3.814 . 0 0 "[ . 1 ]" 1
249 1 26 C H1' 1 27 C H6 2.500 2.500 5.000 5.010 4.989 5.041 0.041 9 0 "[ . 1 ]" 1
250 1 26 C H2' 1 27 C H1' 3.000 3.000 7.000 4.815 4.000 6.064 . 0 0 "[ . 1 ]" 1
251 1 26 C H2' 1 27 C H5 2.500 2.500 5.000 3.899 2.479 4.579 0.021 9 0 "[ . 1 ]" 1
252 1 26 C H2' 1 27 C H6 2.000 . 4.000 2.449 2.332 2.639 . 0 0 "[ . 1 ]" 1
253 1 26 C H3' 1 27 C H6 2.500 2.500 5.000 3.659 3.051 3.987 . 0 0 "[ . 1 ]" 1
254 1 26 C H5 1 27 C H5 2.500 2.500 5.000 3.951 2.909 5.037 0.037 9 0 "[ . 1 ]" 1
255 1 26 C H6 1 27 C H5 2.500 2.500 5.000 4.467 4.020 4.872 . 0 0 "[ . 1 ]" 1
256 1 26 C H6 1 27 C H6 2.500 2.500 5.000 4.740 3.937 5.018 0.018 11 0 "[ . 1 ]" 1
257 1 27 C H1' 1 27 C H6 . 3.000 5.000 3.497 3.431 3.710 . 0 0 "[ . 1 ]" 1
258 1 27 C H2' 1 27 C H6 2.500 2.500 5.000 3.994 3.257 4.187 . 0 0 "[ . 1 ]" 1
259 1 5 G H1 2 1 NCO CO 4.300 4.300 9.300 8.374 7.551 9.125 . 0 0 "[ . 1 ]" 1
260 1 9 G H1 2 1 NCO CO 4.300 4.300 9.300 6.578 5.672 8.235 . 0 0 "[ . 1 ]" 1
261 1 10 G H1 2 1 NCO CO 4.300 4.300 11.300 7.676 6.821 8.712 . 0 0 "[ . 1 ]" 1
262 1 21 G H1 2 1 NCO CO 4.300 4.300 9.300 6.965 6.172 8.492 . 0 0 "[ . 1 ]" 1
263 1 22 G H1 2 1 NCO CO 4.300 4.300 11.300 7.899 6.580 8.575 . 0 0 "[ . 1 ]" 1
264 1 24 U H3 2 1 NCO CO 4.300 4.300 11.300 9.230 8.279 9.871 . 0 0 "[ . 1 ]" 1
265 1 4 A H2 2 1 NCO CO 4.300 4.300 9.300 9.210 8.884 9.326 0.026 8 0 "[ . 1 ]" 1
266 1 5 G H8 2 1 NCO CO 4.300 4.300 9.300 4.938 4.527 5.446 . 0 0 "[ . 1 ]" 1
267 1 10 G H8 2 1 NCO CO 4.300 4.300 11.300 11.220 10.713 11.316 0.016 1 0 "[ . 1 ]" 1
268 1 20 C H6 2 1 NCO CO 4.300 4.300 9.300 7.394 6.241 9.092 . 0 0 "[ . 1 ]" 1
269 1 21 G H8 2 1 NCO CO 4.300 4.300 9.300 7.297 5.822 8.677 . 0 0 "[ . 1 ]" 1
270 1 22 G H8 2 1 NCO CO 4.300 4.300 11.300 10.050 8.974 11.031 . 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 48
_Distance_constraint_stats_list.Viol_count 259
_Distance_constraint_stats_list.Viol_total 50.987
_Distance_constraint_stats_list.Viol_max 0.136
_Distance_constraint_stats_list.Viol_rms 0.0169
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0088
_Distance_constraint_stats_list.Viol_average_violations_only 0.0179
_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 0.374 0.086 9 0 "[ . 1 ]"
1 2 G 0.235 0.096 9 0 "[ . 1 ]"
1 3 A 0.149 0.025 9 0 "[ . 1 ]"
1 4 A 0.453 0.050 9 0 "[ . 1 ]"
1 5 G 0.155 0.034 10 0 "[ . 1 ]"
1 7 C 0.317 0.046 8 0 "[ . 1 ]"
1 8 C 0.166 0.027 1 0 "[ . 1 ]"
1 9 G 0.132 0.028 1 0 "[ . 1 ]"
1 10 G 0.153 0.021 4 0 "[ . 1 ]"
1 11 U 0.631 0.057 11 0 "[ . 1 ]"
1 12 C 0.574 0.076 1 0 "[ . 1 ]"
1 13 U 1.297 0.136 11 0 "[ . 1 ]"
1 16 G 1.297 0.136 11 0 "[ . 1 ]"
1 17 G 0.574 0.076 1 0 "[ . 1 ]"
1 18 A 0.631 0.057 11 0 "[ . 1 ]"
1 19 C 0.153 0.021 4 0 "[ . 1 ]"
1 20 C 0.132 0.028 1 0 "[ . 1 ]"
1 21 G 0.166 0.027 1 0 "[ . 1 ]"
1 22 G 0.317 0.046 8 0 "[ . 1 ]"
1 23 C 0.155 0.034 10 0 "[ . 1 ]"
1 24 U 0.453 0.050 9 0 "[ . 1 ]"
1 25 U 0.149 0.025 9 0 "[ . 1 ]"
1 26 C 0.235 0.096 9 0 "[ . 1 ]"
1 27 C 0.374 0.086 9 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 1.757 1.628 1.827 0.027 9 0 "[ . 1 ]" 2
2 1 1 G H21 1 27 C N3 3.000 2.900 3.100 2.952 2.896 3.106 0.006 11 0 "[ . 1 ]" 2
3 1 1 G H21 1 27 C O2 2.000 . 2.100 1.982 1.879 2.186 0.086 9 0 "[ . 1 ]" 2
4 1 1 G H1 1 27 C N3 1.900 . 2.000 1.992 1.843 2.043 0.043 3 0 "[ . 1 ]" 2
5 1 2 G O6 1 26 C H41 1.700 . 1.800 1.746 1.584 1.833 0.033 9 0 "[ . 1 ]" 2
6 1 2 G H21 1 26 C N3 3.000 2.900 3.100 3.085 2.898 3.114 0.014 7 0 "[ . 1 ]" 2
7 1 2 G H21 1 26 C O2 2.000 . 2.100 1.992 1.899 2.196 0.096 9 0 "[ . 1 ]" 2
8 1 2 G H1 1 26 C N3 1.900 . 2.000 1.878 1.798 1.946 0.002 11 0 "[ . 1 ]" 2
9 1 3 A H2 1 25 U O2 3.200 3.100 3.300 3.152 3.090 3.306 0.010 10 0 "[ . 1 ]" 2
10 1 3 A N1 1 25 U H3 1.900 . 2.000 1.972 1.899 2.011 0.011 7 0 "[ . 1 ]" 2
11 1 3 A H61 1 25 U O4 1.800 . 1.900 1.822 1.675 1.906 0.025 9 0 "[ . 1 ]" 2
12 1 3 A H2 1 25 U H3 2.900 2.800 3.000 2.885 2.791 3.025 0.025 9 0 "[ . 1 ]" 2
13 1 4 A H2 1 24 U O2 3.200 3.100 3.300 3.089 3.050 3.115 0.050 9 0 "[ . 1 ]" 2
14 1 4 A N1 1 24 U H3 1.900 . 2.000 1.999 1.978 2.017 0.017 4 0 "[ . 1 ]" 2
15 1 4 A H61 1 24 U O4 1.800 . 1.900 1.919 1.910 1.928 0.028 1 0 "[ . 1 ]" 2
16 1 4 A H2 1 24 U H3 2.900 2.800 3.000 2.899 2.780 3.001 0.020 11 0 "[ . 1 ]" 2
17 1 5 G O6 1 23 C H41 1.700 . 1.800 1.762 1.603 1.834 0.034 10 0 "[ . 1 ]" 2
18 1 5 G H21 1 23 C N3 3.000 2.900 3.100 3.027 2.895 3.106 0.006 1 0 "[ . 1 ]" 2
19 1 5 G H21 1 23 C O2 2.000 . 2.100 2.026 1.900 2.113 0.013 5 0 "[ . 1 ]" 2
20 1 5 G H1 1 23 C N3 1.900 . 2.000 1.953 1.799 2.014 0.014 11 0 "[ . 1 ]" 2
21 1 7 C H41 1 22 G O6 1.700 . 1.900 1.895 1.673 1.946 0.046 8 0 "[ . 1 ]" 2
22 1 7 C N3 1 22 G H21 3.000 2.800 3.200 2.834 2.785 3.045 0.015 10 0 "[ . 1 ]" 2
23 1 7 C O2 1 22 G H21 2.000 . 2.200 2.149 1.867 2.225 0.025 8 0 "[ . 1 ]" 2
24 1 7 C N3 1 22 G H1 1.900 . 2.100 1.816 1.736 1.947 . 0 0 "[ . 1 ]" 2
25 1 8 C H41 1 21 G O6 1.700 . 1.800 1.755 1.630 1.827 0.027 1 0 "[ . 1 ]" 2
26 1 8 C N3 1 21 G H21 3.000 2.900 3.100 2.954 2.882 3.101 0.018 10 0 "[ . 1 ]" 2
27 1 8 C O2 1 21 G H21 2.000 . 2.100 2.066 1.955 2.118 0.018 1 0 "[ . 1 ]" 2
28 1 8 C N3 1 21 G H1 1.900 . 2.000 1.935 1.783 2.014 0.017 1 0 "[ . 1 ]" 2
29 1 9 G O6 1 20 C H41 1.700 . 1.800 1.771 1.674 1.828 0.028 1 0 "[ . 1 ]" 2
30 1 9 G H21 1 20 C N3 3.000 2.900 3.100 2.945 2.889 3.085 0.011 8 0 "[ . 1 ]" 2
31 1 9 G H21 1 20 C O2 2.000 . 2.100 1.957 1.888 2.081 0.012 5 0 "[ . 1 ]" 2
32 1 9 G H1 1 20 C N3 1.900 . 2.000 1.900 1.804 1.998 . 0 0 "[ . 1 ]" 2
33 1 10 G O6 1 19 C H41 1.700 . 1.800 1.780 1.642 1.810 0.010 7 0 "[ . 1 ]" 2
34 1 10 G H21 1 19 C N3 3.000 2.900 3.100 2.995 2.894 3.102 0.006 8 0 "[ . 1 ]" 2
35 1 10 G H21 1 19 C O2 2.000 . 2.100 2.097 2.031 2.121 0.021 4 0 "[ . 1 ]" 2
36 1 10 G H1 1 19 C N3 1.900 . 2.000 1.867 1.788 2.002 0.012 8 0 "[ . 1 ]" 2
37 1 11 U O2 1 18 A H2 3.200 3.100 3.300 3.137 3.043 3.271 0.057 11 0 "[ . 1 ]" 2
38 1 11 U H3 1 18 A N1 1.900 . 2.000 2.027 1.984 2.046 0.046 8 0 "[ . 1 ]" 2
39 1 11 U O4 1 18 A H61 1.800 . 1.900 1.880 1.737 1.923 0.023 8 0 "[ . 1 ]" 2
40 1 11 U H3 1 18 A H2 2.900 2.800 3.000 2.843 2.785 3.015 0.015 11 0 "[ . 1 ]" 2
41 1 12 C H41 1 17 G O6 1.700 . 1.800 1.667 1.593 1.831 0.031 8 0 "[ . 1 ]" 2
42 1 12 C N3 1 17 G H21 3.000 2.900 3.100 3.077 2.929 3.120 0.020 11 0 "[ . 1 ]" 2
43 1 12 C O2 1 17 G H21 2.000 . 2.100 2.143 2.124 2.176 0.076 1 0 "[ . 1 ]" 2
44 1 12 C N3 1 17 G H1 1.900 . 2.000 1.873 1.796 1.948 0.004 4 0 "[ . 1 ]" 2
45 1 13 U O2 1 16 G H1 1.900 . 2.100 2.090 1.847 2.174 0.074 8 0 "[ . 1 ]" 2
46 1 13 U O2 1 16 G H21 2.400 2.200 2.600 2.506 2.374 2.614 0.014 4 0 "[ . 1 ]" 2
47 1 13 U H3 1 16 G H21 3.800 3.600 4.000 3.970 3.810 4.065 0.065 1 0 "[ . 1 ]" 2
48 1 13 U H3 1 16 G H1 4.400 4.200 4.600 4.131 4.064 4.188 0.136 11 0 "[ . 1 ]" 2
stop_
save_
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