NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
512949 |
2rrc   |
11176 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rrc
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 285
_Distance_constraint_stats_list.Viol_count 861
_Distance_constraint_stats_list.Viol_total 2012.766
_Distance_constraint_stats_list.Viol_max 1.780
_Distance_constraint_stats_list.Viol_rms 0.1751
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0584
_Distance_constraint_stats_list.Viol_average_violations_only 0.2125
_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 37.770 1.369 8 11 [***-***+***]
1 2 G 17.091 1.088 5 11 [***-+******]
1 3 A 6.011 0.283 4 0 "[ . 1 ]"
1 4 C 10.933 0.318 1 0 "[ . 1 ]"
1 5 C 11.928 0.413 11 0 "[ . 1 ]"
1 6 C 10.680 0.413 11 0 "[ . 1 ]"
1 7 AP7 19.685 0.395 2 0 "[ . 1 ]"
1 8 C 15.263 0.395 2 0 "[ . 1 ]"
1 9 C 6.933 0.333 11 0 "[ . 1 ]"
1 10 A 4.507 0.226 2 0 "[ . 1 ]"
1 11 C 4.861 0.421 7 0 "[ . 1 ]"
1 12 G 4.227 0.421 7 0 "[ . 1 ]"
1 13 G 10.820 0.783 10 11 [*-*******+*]
1 14 C 3.813 0.247 4 0 "[ . 1 ]"
1 15 G 3.593 0.118 7 0 "[ . 1 ]"
1 16 A 13.717 0.451 11 0 "[ . 1 ]"
1 17 G 16.416 0.451 11 0 "[ . 1 ]"
1 18 G 13.646 0.375 4 0 "[ . 1 ]"
1 19 U 7.141 0.321 2 0 "[ . 1 ]"
1 20 C 19.498 1.090 5 11 [*-**+******]
1 21 C 42.294 1.780 8 11 [**-****+***]
1 22 A 35.457 1.780 8 11 [**-****+***]
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 2.900 . 4.000 3.771 3.650 3.835 . 0 0 "[ . 1 ]" 1
2 1 1 G H1' 1 2 G H8 2.900 . 4.000 5.059 5.030 5.088 1.088 5 11 [*-**+******] 1
3 1 2 G H1' 1 2 G H8 2.900 . 4.000 3.840 3.810 3.871 . 0 0 "[ . 1 ]" 1
4 1 2 G H1' 1 3 A H8 2.900 . 4.000 4.166 4.105 4.227 0.227 5 0 "[ . 1 ]" 1
5 1 3 A H1' 1 3 A H8 2.900 . 4.000 3.742 3.710 3.790 . 0 0 "[ . 1 ]" 1
6 1 3 A H1' 1 4 C H6 2.900 . 4.000 4.272 4.263 4.283 0.283 4 0 "[ . 1 ]" 1
7 1 4 C H1' 1 4 C H6 2.900 . 4.000 3.518 3.496 3.539 . 0 0 "[ . 1 ]" 1
8 1 4 C H5 1 4 C H6 2.400 . 3.000 2.449 2.446 2.451 . 0 0 "[ . 1 ]" 1
9 1 3 A H8 1 4 C H5 3.400 . 5.000 4.034 3.718 4.231 . 0 0 "[ . 1 ]" 1
10 1 5 C H5 1 5 C H6 2.400 . 3.000 2.455 2.451 2.458 . 0 0 "[ . 1 ]" 1
11 1 4 C H1' 1 5 C H6 2.900 . 4.000 4.306 4.292 4.318 0.318 1 0 "[ . 1 ]" 1
12 1 21 C H5 1 21 C H6 2.400 . 3.000 2.443 2.439 2.446 . 0 0 "[ . 1 ]" 1
13 1 20 C H5 1 20 C H6 2.400 . 3.000 2.451 2.446 2.458 . 0 0 "[ . 1 ]" 1
14 1 6 C H5 1 6 C H6 2.400 . 3.000 2.461 2.456 2.465 . 0 0 "[ . 1 ]" 1
15 1 20 C H5 1 21 C H5 2.900 . 4.000 3.515 3.353 3.705 . 0 0 "[ . 1 ]" 1
16 1 19 U H5 1 19 U H6 2.400 . 3.000 2.433 2.431 2.437 . 0 0 "[ . 1 ]" 1
17 1 18 G H1' 1 19 U H6 2.900 . 4.000 4.316 4.312 4.321 0.321 2 0 "[ . 1 ]" 1
18 1 18 G H1' 1 18 G H8 2.900 . 4.000 3.548 3.527 3.568 . 0 0 "[ . 1 ]" 1
19 1 17 G H1' 1 18 G H8 2.900 . 4.000 4.359 4.313 4.375 0.375 4 0 "[ . 1 ]" 1
20 1 18 G H8 1 19 U H5 3.400 . 5.000 4.142 4.019 4.207 . 0 0 "[ . 1 ]" 1
21 1 19 U H1' 1 19 U H6 2.900 . 4.000 3.303 3.273 3.331 . 0 0 "[ . 1 ]" 1
22 1 20 C H1' 1 20 C H6 2.900 . 4.000 3.714 3.699 3.738 . 0 0 "[ . 1 ]" 1
23 1 20 C H1' 1 21 C H6 2.900 . 4.000 5.067 5.044 5.090 1.090 5 11 [****+**-***] 1
24 1 21 C H1' 1 21 C H6 2.900 . 4.000 3.705 3.684 3.726 . 0 0 "[ . 1 ]" 1
25 1 21 C H1' 1 22 A H8 2.900 . 4.000 4.977 4.516 5.042 1.042 9 11 [**-*****+**] 1
26 1 22 A H1' 1 22 A H8 2.900 . 4.000 3.684 3.430 3.775 . 0 0 "[ . 1 ]" 1
27 1 1 G H1' 1 22 A H2 2.900 . 4.000 4.969 4.730 5.023 1.023 8 11 [*****-*+***] 1
28 1 17 G H1' 1 17 G H8 2.900 . 4.000 3.624 3.554 3.775 . 0 0 "[ . 1 ]" 1
29 1 16 A H1' 1 17 G H8 2.900 . 4.000 4.389 4.294 4.451 0.451 11 0 "[ . 1 ]" 1
30 1 16 A H1' 1 16 A H8 2.900 . 4.000 3.681 3.659 3.698 . 0 0 "[ . 1 ]" 1
31 1 15 G H1' 1 16 A H8 2.900 . 4.000 2.549 2.292 3.058 . 0 0 "[ . 1 ]" 1
32 1 15 G H1' 1 15 G H8 2.900 . 4.000 3.919 3.895 3.938 . 0 0 "[ . 1 ]" 1
33 1 16 A H2 1 17 G H1' 3.400 . 5.000 4.737 4.410 5.088 0.088 2 0 "[ . 1 ]" 1
34 1 15 G H1' 1 17 G H8 2.900 . 4.000 4.004 3.902 4.065 0.065 2 0 "[ . 1 ]" 1
35 1 12 G H1' 1 12 G H8 2.400 . 3.000 2.619 2.582 2.646 . 0 0 "[ . 1 ]" 1
36 1 10 A H1' 1 10 A H8 2.900 . 4.000 3.775 3.731 3.890 . 0 0 "[ . 1 ]" 1
37 1 11 C H5 1 11 C H6 2.400 . 3.000 2.423 2.401 2.441 . 0 0 "[ . 1 ]" 1
38 1 10 A H2' 1 10 A H8 2.400 . 3.000 3.040 3.014 3.067 0.067 10 0 "[ . 1 ]" 1
39 1 10 A H2' 1 11 C H6 2.900 . 4.000 3.922 3.710 4.089 0.089 7 0 "[ . 1 ]" 1
40 1 9 C H5 1 9 C H6 2.400 . 3.000 2.457 2.453 2.459 . 0 0 "[ . 1 ]" 1
41 1 9 C H1' 1 9 C H6 2.900 . 4.000 3.475 3.457 3.494 . 0 0 "[ . 1 ]" 1
42 1 10 A H1' 1 10 A H2' 2.400 . 3.000 3.010 2.874 3.033 0.033 11 0 "[ . 1 ]" 1
43 1 11 C H1' 1 11 C H6 2.900 . 4.000 3.648 3.587 3.685 . 0 0 "[ . 1 ]" 1
44 1 5 C H6 1 6 C H5 3.400 . 5.000 3.570 3.473 3.674 . 0 0 "[ . 1 ]" 1
45 1 7 AP7 H1' 1 7 AP7 H8 2.900 . 4.000 3.575 3.490 3.658 . 0 0 "[ . 1 ]" 1
46 1 7 AP7 H1' 1 7 AP7 H2 3.400 . 5.000 4.841 4.713 4.968 . 0 0 "[ . 1 ]" 1
47 1 7 AP7 H1' 1 8 C H6 2.900 . 4.000 4.271 4.255 4.286 0.286 2 0 "[ . 1 ]" 1
48 1 8 C H5 1 8 C H6 2.400 . 3.000 2.383 2.379 2.386 . 0 0 "[ . 1 ]" 1
49 1 7 AP7 H8 1 8 C H5 3.400 . 5.000 3.141 3.033 3.196 . 0 0 "[ . 1 ]" 1
50 1 8 C H1' 1 9 C H6 2.900 . 4.000 4.322 4.312 4.333 0.333 11 0 "[ . 1 ]" 1
51 1 8 C H1' 1 8 C H6 3.400 . 5.000 3.408 3.367 3.455 . 0 0 "[ . 1 ]" 1
52 1 6 C H1' 1 7 AP7 H8 2.900 . 4.000 4.324 4.289 4.368 0.368 11 0 "[ . 1 ]" 1
53 1 6 C H1' 1 6 C H6 2.900 . 4.000 3.587 3.504 3.650 . 0 0 "[ . 1 ]" 1
54 1 5 C H1' 1 6 C H6 2.900 . 4.000 4.378 4.357 4.413 0.413 11 0 "[ . 1 ]" 1
55 1 14 C H5 1 14 C H6 2.400 . 3.000 2.453 2.450 2.456 . 0 0 "[ . 1 ]" 1
56 1 12 G H2' 1 12 G H8 2.900 . 4.000 3.734 3.603 3.887 . 0 0 "[ . 1 ]" 1
57 1 12 G H2' 1 13 G H8 3.400 . 5.000 4.561 4.405 4.666 . 0 0 "[ . 1 ]" 1
58 1 12 G H3' 1 13 G H8 2.900 . 4.000 3.396 3.138 3.571 . 0 0 "[ . 1 ]" 1
59 1 6 C H2' 1 7 AP7 H8 2.400 . 3.000 1.998 1.793 2.224 0.007 5 0 "[ . 1 ]" 1
60 1 14 C H1' 1 14 C H6 2.900 . 4.000 3.386 3.366 3.419 . 0 0 "[ . 1 ]" 1
61 1 14 C H1' 1 15 G H8 3.400 . 5.000 5.052 5.023 5.066 0.066 8 0 "[ . 1 ]" 1
62 1 7 AP7 H2 1 15 G H1' 2.900 . 4.000 4.063 4.037 4.102 0.102 2 0 "[ . 1 ]" 1
63 1 3 A H2 1 4 C H1' 2.900 . 4.000 3.891 3.674 4.022 0.022 10 0 "[ . 1 ]" 1
64 1 3 A H1' 1 3 A H2 3.400 . 5.000 4.798 4.713 4.859 . 0 0 "[ . 1 ]" 1
65 1 7 AP7 H2 1 8 C H1' 2.900 . 4.000 4.058 4.036 4.073 0.073 10 0 "[ . 1 ]" 1
66 1 7 AP7 H1' 1 8 C H5 2.900 . 4.000 4.391 4.382 4.395 0.395 2 0 "[ . 1 ]" 1
67 1 1 G H2' 1 1 G H8 2.400 . 3.000 4.085 3.894 4.369 1.369 8 11 [-******+***] 1
68 1 1 G H1' 1 1 G H2' 2.400 . 3.000 2.799 2.783 2.828 . 0 0 "[ . 1 ]" 1
69 1 1 G H2' 1 2 G H8 2.400 . 3.000 2.621 2.500 2.776 . 0 0 "[ . 1 ]" 1
70 1 1 G H2' 1 2 G H1' 2.900 . 4.000 4.318 4.008 4.625 0.625 8 3 "[ -* + 1 ]" 1
71 1 3 A H1' 1 3 A H2' 2.400 . 3.000 2.732 2.725 2.740 . 0 0 "[ . 1 ]" 1
72 1 2 G H2' 1 2 G H8 2.900 . 4.000 3.785 3.544 3.972 . 0 0 "[ . 1 ]" 1
73 1 2 G H1' 1 2 G H2' 2.400 . 3.000 2.855 2.747 2.977 . 0 0 "[ . 1 ]" 1
74 1 2 G H2' 1 3 A H8 2.400 . 3.000 2.140 1.766 2.816 0.034 6 0 "[ . 1 ]" 1
75 1 3 A H2' 1 4 C H1' 2.900 . 4.000 3.990 3.943 4.019 0.019 1 0 "[ . 1 ]" 1
76 1 3 A H2' 1 4 C H5 2.900 . 4.000 3.611 3.536 3.745 . 0 0 "[ . 1 ]" 1
77 1 4 C H1' 1 4 C H2' 2.400 . 3.000 2.755 2.747 2.766 . 0 0 "[ . 1 ]" 1
78 1 4 C H2' 1 5 C H6 2.400 . 3.000 1.882 1.854 1.926 . 0 0 "[ . 1 ]" 1
79 1 6 C H1' 1 6 C H2' 2.400 . 3.000 2.782 2.727 2.829 . 0 0 "[ . 1 ]" 1
80 1 6 C H2' 1 6 C H6 2.900 . 4.000 4.087 4.008 4.194 0.194 5 0 "[ . 1 ]" 1
81 1 5 C H1' 1 5 C H2' 2.400 . 3.000 2.892 2.852 2.918 . 0 0 "[ . 1 ]" 1
82 1 5 C H2' 1 6 C H6 2.400 . 3.000 1.880 1.831 1.954 . 0 0 "[ . 1 ]" 1
83 1 5 C H2' 1 6 C H1' 2.900 . 4.000 3.974 3.748 4.058 0.058 9 0 "[ . 1 ]" 1
84 1 4 C H2' 1 5 C H1' 2.400 . 3.000 3.217 3.200 3.237 0.237 3 0 "[ . 1 ]" 1
85 1 5 C H2' 1 5 C H6 2.900 . 4.000 4.154 4.132 4.165 0.165 9 0 "[ . 1 ]" 1
86 1 13 G H1' 1 13 G H8 2.400 . 3.000 3.724 3.698 3.783 0.783 10 11 [*-*******+*] 1
87 1 7 AP7 H1' 1 7 AP7 H2' 2.400 . 3.000 2.689 2.683 2.703 . 0 0 "[ . 1 ]" 1
88 1 7 AP7 H2' 1 7 AP7 H8 2.900 . 4.000 4.129 4.095 4.164 0.164 7 0 "[ . 1 ]" 1
89 1 7 AP7 H2' 1 8 C H6 2.400 . 3.000 1.705 1.687 1.723 0.113 10 0 "[ . 1 ]" 1
90 1 4 C H2' 1 4 C H6 2.900 . 4.000 4.120 4.101 4.145 0.145 5 0 "[ . 1 ]" 1
91 1 6 C H2' 1 7 AP7 H1' 2.900 . 4.000 4.152 4.139 4.172 0.172 4 0 "[ . 1 ]" 1
92 1 7 AP7 H2' 1 8 C H1' 2.900 . 4.000 4.132 4.109 4.149 0.149 7 0 "[ . 1 ]" 1
93 1 8 C H1' 1 8 C H2' 2.400 . 3.000 2.774 2.766 2.782 . 0 0 "[ . 1 ]" 1
94 1 8 C H2' 1 8 C H6 2.900 . 4.000 4.082 4.055 4.109 0.109 7 0 "[ . 1 ]" 1
95 1 8 C H2' 1 9 C H6 2.400 . 3.000 1.999 1.989 2.010 . 0 0 "[ . 1 ]" 1
96 1 8 C H2' 1 9 C H1' 2.900 . 4.000 4.031 4.019 4.041 0.041 7 0 "[ . 1 ]" 1
97 1 9 C H1' 1 9 C H2' 2.400 . 3.000 2.852 2.845 2.859 . 0 0 "[ . 1 ]" 1
98 1 9 C H2' 1 9 C H6 2.900 . 4.000 4.064 4.040 4.079 0.079 5 0 "[ . 1 ]" 1
99 1 9 C H2' 1 10 A H8 2.900 . 4.000 3.971 3.652 4.061 0.061 4 0 "[ . 1 ]" 1
100 1 12 G H1' 1 12 G H2' 2.400 . 3.000 2.914 2.891 2.937 . 0 0 "[ . 1 ]" 1
101 1 11 C H1' 1 11 C H2' 2.400 . 3.000 3.070 3.067 3.079 0.079 7 0 "[ . 1 ]" 1
102 1 11 C H2' 1 11 C H6 2.400 . 3.000 3.023 2.947 3.111 0.111 4 0 "[ . 1 ]" 1
103 1 13 G H1' 1 14 C H6 2.900 . 4.000 4.233 4.224 4.247 0.247 4 0 "[ . 1 ]" 1
104 1 14 C H1' 1 14 C H2' 2.400 . 3.000 3.043 3.010 3.062 0.062 2 0 "[ . 1 ]" 1
105 1 14 C H2' 1 14 C H6 2.900 . 4.000 4.007 3.913 4.031 0.031 5 0 "[ . 1 ]" 1
106 1 14 C H2' 1 15 G H8 2.400 . 3.000 2.922 2.840 3.025 0.025 7 0 "[ . 1 ]" 1
107 1 15 G H1' 1 15 G H2' 2.400 . 3.000 2.939 2.905 2.968 . 0 0 "[ . 1 ]" 1
108 1 15 G H2' 1 15 G H8 2.900 . 4.000 2.736 2.603 2.900 . 0 0 "[ . 1 ]" 1
109 1 16 A H1' 1 16 A H2' 2.400 . 3.000 2.818 2.769 2.897 . 0 0 "[ . 1 ]" 1
110 1 16 A H2' 1 16 A H8 2.400 . 3.000 3.139 3.036 3.195 0.195 1 0 "[ . 1 ]" 1
111 1 16 A H2' 1 17 G H8 2.900 . 4.000 1.866 1.725 2.091 0.075 11 0 "[ . 1 ]" 1
112 1 17 G H1' 1 17 G H2' 2.400 . 3.000 2.718 2.702 2.768 . 0 0 "[ . 1 ]" 1
113 1 17 G H2' 1 17 G H8 2.900 . 4.000 4.244 4.182 4.290 0.290 7 0 "[ . 1 ]" 1
114 1 17 G H2' 1 18 G H8 2.400 . 3.000 1.750 1.742 1.766 0.058 3 0 "[ . 1 ]" 1
115 1 17 G H2' 1 18 G H1' 2.900 . 4.000 4.142 4.128 4.158 0.158 4 0 "[ . 1 ]" 1
116 1 18 G H1' 1 18 G H2' 2.400 . 3.000 2.768 2.757 2.782 . 0 0 "[ . 1 ]" 1
117 1 18 G H2' 1 19 U H6 2.400 . 3.000 1.984 1.934 2.019 . 0 0 "[ . 1 ]" 1
118 1 18 G H2' 1 18 G H8 2.900 . 4.000 4.190 4.180 4.205 0.205 2 0 "[ . 1 ]" 1
119 1 18 G H2' 1 19 U H1' 2.400 . 3.000 3.184 3.171 3.193 0.193 2 0 "[ . 1 ]" 1
120 1 19 U H1' 1 19 U H2' 2.400 . 3.000 2.937 2.920 2.957 . 0 0 "[ . 1 ]" 1
121 1 20 C H1' 1 20 C H2' 2.400 . 3.000 2.862 2.837 2.890 . 0 0 "[ . 1 ]" 1
122 1 19 U H2' 1 20 C H6 2.400 . 3.000 2.868 2.801 2.998 . 0 0 "[ . 1 ]" 1
123 1 20 C H2' 1 20 C H6 2.900 . 4.000 3.552 3.431 3.673 . 0 0 "[ . 1 ]" 1
124 1 19 U H2' 1 19 U H6 2.900 . 4.000 4.150 4.134 4.177 0.177 6 0 "[ . 1 ]" 1
125 1 21 C H1' 1 21 C H2' 2.400 . 3.000 2.862 2.824 2.880 . 0 0 "[ . 1 ]" 1
126 1 21 C H2' 1 21 C H6 2.900 . 4.000 3.559 3.427 3.728 . 0 0 "[ . 1 ]" 1
127 1 20 C H2' 1 21 C H6 2.400 . 3.000 2.397 2.369 2.419 . 0 0 "[ . 1 ]" 1
128 1 22 A H1' 1 22 A H2' 2.400 . 3.000 2.911 2.868 3.108 0.108 3 0 "[ . 1 ]" 1
129 1 21 C H2' 1 22 A H1' 2.400 . 3.000 3.966 3.496 4.780 1.780 8 10 "[****** +-**]" 1
130 1 22 A H2' 1 22 A H8 2.900 . 4.000 4.138 4.037 4.246 0.246 3 0 "[ . 1 ]" 1
131 1 21 C H2' 1 22 A H8 2.400 . 3.000 2.845 2.500 3.455 0.455 8 0 "[ . 1 ]" 1
132 1 16 A H1' 1 16 A H3' 2.900 . 4.000 3.922 3.905 3.968 . 0 0 "[ . 1 ]" 1
133 1 16 A H1' 1 16 A H4' 2.400 . 3.000 3.099 3.062 3.168 0.168 2 0 "[ . 1 ]" 1
134 1 16 A H3' 1 16 A H8 2.400 . 3.000 2.846 2.624 3.198 0.198 7 0 "[ . 1 ]" 1
135 1 16 A H4' 1 16 A H8 2.900 . 4.000 4.243 4.187 4.273 0.273 5 0 "[ . 1 ]" 1
136 1 16 A H4' 1 17 G H8 3.400 . 5.000 5.074 5.005 5.120 0.120 1 0 "[ . 1 ]" 1
137 1 16 A H3' 1 17 G H8 2.400 . 3.000 2.924 2.689 3.215 0.215 2 0 "[ . 1 ]" 1
138 1 15 G H1' 1 16 A H3' 2.400 . 3.000 3.068 2.979 3.117 0.117 5 0 "[ . 1 ]" 1
139 1 15 G H1' 1 15 G H3' 2.900 . 4.000 3.986 3.941 4.045 0.045 7 0 "[ . 1 ]" 1
140 1 15 G H3' 1 15 G H8 2.400 . 3.000 3.027 2.985 3.118 0.118 7 0 "[ . 1 ]" 1
141 1 10 A H1' 1 10 A H3' 2.900 . 4.000 4.038 4.028 4.049 0.049 4 0 "[ . 1 ]" 1
142 1 10 A H3' 1 10 A H8 2.900 . 4.000 3.921 2.857 4.060 0.060 4 0 "[ . 1 ]" 1
143 1 10 A H3' 1 11 C H6 2.400 . 3.000 2.430 2.253 2.788 . 0 0 "[ . 1 ]" 1
144 1 10 A H3' 1 11 C H5 2.400 . 3.000 2.939 2.649 3.101 0.101 11 0 "[ . 1 ]" 1
145 1 10 A H1' 1 10 A H4' 2.900 . 4.000 3.482 3.377 3.699 . 0 0 "[ . 1 ]" 1
146 1 10 A H4' 1 10 A H8 2.900 . 4.000 4.211 4.189 4.226 0.226 2 0 "[ . 1 ]" 1
147 1 12 G H2' 1 12 G H3' 2.400 . 3.000 2.408 2.400 2.413 . 0 0 "[ . 1 ]" 1
148 1 3 A H1' 1 3 A H3' 2.900 . 4.000 3.831 3.809 3.866 . 0 0 "[ . 1 ]" 1
149 1 3 A H3' 1 4 C H5 3.400 . 5.000 3.476 3.424 3.629 . 0 0 "[ . 1 ]" 1
150 1 3 A H3' 1 3 A H8 2.400 . 3.000 2.992 2.870 3.040 0.040 6 0 "[ . 1 ]" 1
151 1 3 A H3' 1 4 C H6 2.400 . 3.000 3.069 3.022 3.099 0.099 7 0 "[ . 1 ]" 1
152 1 7 AP7 H2' 1 8 C H5 2.900 . 4.000 2.904 2.834 2.967 . 0 0 "[ . 1 ]" 1
153 1 7 AP7 H3' 1 8 C H5 2.900 . 4.000 2.682 2.504 2.892 . 0 0 "[ . 1 ]" 1
154 1 7 AP7 H3' 1 7 AP7 H8 2.400 . 3.000 3.133 3.088 3.182 0.182 9 0 "[ . 1 ]" 1
155 1 20 C H2' 1 21 C H5 2.400 . 3.000 3.706 3.549 3.886 0.886 9 11 [*-******+**] 1
156 1 8 C H2' 1 9 C H5 2.900 . 4.000 4.000 3.963 4.013 0.013 10 0 "[ . 1 ]" 1
157 1 1 G H1' 1 2 G H1' 3.500 . 7.000 6.527 6.078 7.001 0.001 8 0 "[ . 1 ]" 1
158 1 2 G H1' 1 3 A H1' 3.500 . 7.000 5.881 5.516 6.402 . 0 0 "[ . 1 ]" 1
159 1 3 A H1' 1 4 C H1' 3.500 . 7.000 5.392 5.298 5.472 . 0 0 "[ . 1 ]" 1
160 1 1 G H8 1 2 G H8 3.500 . 7.000 4.409 3.737 5.042 . 0 0 "[ . 1 ]" 1
161 1 2 G H8 1 3 A H8 3.500 . 7.000 5.426 4.764 6.313 . 0 0 "[ . 1 ]" 1
162 1 3 A H8 1 4 C H6 3.500 . 7.000 4.728 4.477 4.892 . 0 0 "[ . 1 ]" 1
163 1 3 A H1' 1 4 C H5 3.500 . 7.000 5.415 5.369 5.459 . 0 0 "[ . 1 ]" 1
164 1 4 C H1' 1 4 C H5 3.500 . 7.000 5.338 5.327 5.356 . 0 0 "[ . 1 ]" 1
165 1 4 C H5 1 5 C H6 3.500 . 7.000 5.136 5.034 5.221 . 0 0 "[ . 1 ]" 1
166 1 4 C H5 1 5 C H5 3.500 . 7.000 3.735 3.617 3.882 . 0 0 "[ . 1 ]" 1
167 1 5 C H6 1 6 C H6 3.500 . 7.000 4.302 4.209 4.435 . 0 0 "[ . 1 ]" 1
168 1 20 C H6 1 21 C H6 3.500 . 7.000 4.703 4.484 4.971 . 0 0 "[ . 1 ]" 1
169 1 18 G H8 1 19 U H6 3.500 . 7.000 4.284 4.201 4.340 . 0 0 "[ . 1 ]" 1
170 1 17 G H1' 1 18 G H1' 3.500 . 7.000 5.344 5.217 5.591 . 0 0 "[ . 1 ]" 1
171 1 18 G H1' 1 19 U H1' 3.500 . 7.000 4.945 4.856 5.021 . 0 0 "[ . 1 ]" 1
172 1 21 C H6 1 22 A H8 3.500 . 7.000 5.249 4.434 7.004 0.004 8 0 "[ . 1 ]" 1
173 1 21 C H1' 1 22 A H1' 3.500 . 7.000 5.128 4.381 7.020 0.020 4 0 "[ . 1 ]" 1
174 1 18 G H1' 1 19 U H5 3.500 . 7.000 5.814 5.783 5.841 . 0 0 "[ . 1 ]" 1
175 1 19 U H5 1 20 C H5 3.500 . 7.000 4.548 4.363 4.738 . 0 0 "[ . 1 ]" 1
176 1 20 C H1' 1 21 C H5 3.500 . 7.000 5.618 5.483 5.751 . 0 0 "[ . 1 ]" 1
177 1 16 A H1' 1 16 A H2 3.500 . 7.000 4.762 4.726 4.808 . 0 0 "[ . 1 ]" 1
178 1 17 G H8 1 18 G H8 3.500 . 7.000 5.531 5.237 5.695 . 0 0 "[ . 1 ]" 1
179 1 16 A H8 1 17 G H8 3.500 . 7.000 4.055 3.327 5.077 . 0 0 "[ . 1 ]" 1
180 1 15 G H8 1 17 G H8 3.500 . 7.000 7.062 7.050 7.078 0.078 9 0 "[ . 1 ]" 1
181 1 15 G H8 1 16 A H8 3.500 . 7.000 6.305 6.090 6.578 . 0 0 "[ . 1 ]" 1
182 1 15 G H1' 1 17 G H1' 3.500 . 7.000 7.015 6.923 7.036 0.036 11 0 "[ . 1 ]" 1
183 1 10 A H1' 1 11 C H6 3.500 . 7.000 6.193 6.003 6.356 . 0 0 "[ . 1 ]" 1
184 1 10 A H8 1 11 C H5 3.500 . 7.000 5.024 4.812 5.650 . 0 0 "[ . 1 ]" 1
185 1 10 A H8 1 11 C H6 3.500 . 7.000 5.844 5.611 6.102 . 0 0 "[ . 1 ]" 1
186 1 9 C H1' 1 10 A H8 3.500 . 7.000 5.312 4.657 5.473 . 0 0 "[ . 1 ]" 1
187 1 9 C H1' 1 11 C H5 3.500 . 7.000 5.750 5.475 5.839 . 0 0 "[ . 1 ]" 1
188 1 1 G H8 1 22 A H2 3.500 . 7.000 6.678 6.238 7.025 0.025 11 0 "[ . 1 ]" 1
189 1 7 AP7 H8 1 8 C H6 3.500 . 7.000 4.840 4.773 4.885 . 0 0 "[ . 1 ]" 1
190 1 7 AP7 H1' 1 8 C H1' 3.500 . 7.000 5.868 5.694 6.039 . 0 0 "[ . 1 ]" 1
191 1 8 C H1' 1 8 C H5 3.500 . 7.000 5.107 5.092 5.138 . 0 0 "[ . 1 ]" 1
192 1 4 C H1' 1 5 C H5 3.500 . 7.000 5.666 5.573 5.740 . 0 0 "[ . 1 ]" 1
193 1 6 C H6 1 7 AP7 H8 3.500 . 7.000 5.261 5.053 5.386 . 0 0 "[ . 1 ]" 1
194 1 13 G H8 1 14 C H6 3.500 . 7.000 4.169 4.064 4.328 . 0 0 "[ . 1 ]" 1
195 1 6 C H1' 1 7 AP7 H1' 3.500 . 7.000 4.985 4.575 5.248 . 0 0 "[ . 1 ]" 1
196 1 10 A H2' 1 11 C H5 3.500 . 7.000 4.466 4.169 4.825 . 0 0 "[ . 1 ]" 1
197 1 12 G H1' 1 12 G H3' 3.500 . 7.000 3.948 3.937 3.962 . 0 0 "[ . 1 ]" 1
198 1 1 G H1 1 2 G H1 3.000 . 6.000 4.302 3.629 4.763 . 0 0 "[ . 1 ]" 1
199 1 2 G H1 1 19 U H3 3.000 . 6.000 4.129 3.724 4.520 . 0 0 "[ . 1 ]" 1
200 1 18 G H1 1 19 U H3 3.000 . 6.000 3.829 3.788 3.857 . 0 0 "[ . 1 ]" 1
201 1 17 G H1 1 18 G H1 3.000 . 6.000 4.018 3.885 4.145 . 0 0 "[ . 1 ]" 1
202 1 12 G H1 1 13 G H1 3.000 . 6.000 4.529 4.280 4.806 . 0 0 "[ . 1 ]" 1
203 1 9 C H2' 1 12 G H1 3.000 . 6.000 3.557 3.432 3.811 . 0 0 "[ . 1 ]" 1
204 1 9 C H2' 1 11 C H5 2.400 . 3.000 2.952 2.707 3.029 0.029 4 0 "[ . 1 ]" 1
205 1 9 C H1' 1 12 G H1 3.000 . 6.000 3.419 3.329 3.645 . 0 0 "[ . 1 ]" 1
206 1 9 C H1' 1 13 G H1 3.000 . 6.000 3.923 3.773 4.154 . 0 0 "[ . 1 ]" 1
207 1 9 C H3' 1 11 C H5 2.900 . 4.000 4.019 3.991 4.040 0.040 7 0 "[ . 1 ]" 1
208 1 10 A H1' 1 10 A H2 3.500 . 7.000 4.737 4.550 4.803 . 0 0 "[ . 1 ]" 1
209 1 12 G H1' 1 13 G H8 3.500 . 7.000 6.993 6.864 7.025 0.025 11 0 "[ . 1 ]" 1
210 1 14 C H6 1 15 G H8 3.500 . 7.000 6.798 6.559 6.971 . 0 0 "[ . 1 ]" 1
211 1 11 C H6 1 12 G H1 3.000 . 6.000 4.727 4.396 5.179 . 0 0 "[ . 1 ]" 1
212 1 12 G H1 1 13 G H8 3.000 . 6.000 5.999 5.816 6.030 0.030 6 0 "[ . 1 ]" 1
213 1 9 C HO2' 1 12 G H1 3.000 . 6.000 3.078 2.815 3.425 . 0 0 "[ . 1 ]" 1
214 1 9 C HO2' 1 10 A H8 3.000 . 6.000 3.014 2.346 3.459 . 0 0 "[ . 1 ]" 1
215 1 9 C H3' 1 9 C H6 2.400 . 3.000 3.078 3.067 3.092 0.092 7 0 "[ . 1 ]" 1
216 1 5 C H5 1 6 C H5 2.900 . 4.000 3.686 3.596 3.780 . 0 0 "[ . 1 ]" 1
217 1 9 C H6 1 12 G H1 3.000 . 6.000 6.076 6.054 6.109 0.109 4 0 "[ . 1 ]" 1
218 1 10 A H8 1 12 G H1 3.000 . 6.000 5.882 5.268 6.020 0.020 2 0 "[ . 1 ]" 1
219 1 11 C H5 1 12 G H1 3.000 . 6.000 5.211 5.019 5.460 . 0 0 "[ . 1 ]" 1
220 1 9 C HO2' 1 10 A H1' 3.000 . 6.000 5.422 5.054 6.001 0.001 10 0 "[ . 1 ]" 1
221 1 10 A H2' 1 12 G H1 3.000 . 6.000 4.327 4.047 4.608 . 0 0 "[ . 1 ]" 1
222 1 9 C HO2' 1 11 C H6 3.000 . 6.000 4.990 4.658 5.463 . 0 0 "[ . 1 ]" 1
223 1 9 C HO2' 1 10 A H2' 3.000 . 6.000 2.958 2.546 3.641 . 0 0 "[ . 1 ]" 1
224 1 9 C H2' 1 11 C H42 3.000 . 6.000 3.160 3.065 3.233 . 0 0 "[ . 1 ]" 1
225 1 9 C H2' 1 9 C HO2' 3.000 . 6.000 2.191 2.151 2.297 . 0 0 "[ . 1 ]" 1
226 1 11 C H41 1 12 G H1 3.000 . 6.000 6.269 5.917 6.421 0.421 7 0 "[ . 1 ]" 1
227 1 7 AP7 H2 1 14 C H1' 3.500 . 7.000 5.851 5.703 5.949 . 0 0 "[ . 1 ]" 1
228 1 7 AP7 H2 1 16 A H1' 3.500 . 7.000 7.040 7.002 7.075 0.075 7 0 "[ . 1 ]" 1
229 1 1 G H2' 1 1 G H3' 3.500 . 7.000 2.440 2.420 2.451 . 0 0 "[ . 1 ]" 1
230 1 1 G H3' 1 1 G H8 3.500 . 7.000 3.124 2.907 3.550 . 0 0 "[ . 1 ]" 1
231 1 1 G H3' 1 2 G H1' 3.500 . 7.000 6.110 5.747 6.319 . 0 0 "[ . 1 ]" 1
232 1 2 G H1' 1 2 G H3' 3.500 . 7.000 3.928 3.857 4.007 . 0 0 "[ . 1 ]" 1
233 1 2 G H1' 1 3 A H3' 3.500 . 7.000 6.741 6.549 6.849 . 0 0 "[ . 1 ]" 1
234 1 1 G H3' 1 2 G H8 3.500 . 7.000 2.874 2.773 2.939 . 0 0 "[ . 1 ]" 1
235 1 2 G H3' 1 2 G H8 3.500 . 7.000 3.436 2.904 4.123 . 0 0 "[ . 1 ]" 1
236 1 3 A H2 1 20 C H1' 3.500 . 7.000 4.060 3.626 5.152 . 0 0 "[ . 1 ]" 1
237 1 2 G H3' 1 3 A H8 3.500 . 7.000 3.953 3.464 4.432 . 0 0 "[ . 1 ]" 1
238 1 4 C H2' 1 4 C H5 3.500 . 7.000 5.538 5.493 5.561 . 0 0 "[ . 1 ]" 1
239 1 4 C H3' 1 4 C H5 3.500 . 7.000 4.944 4.796 5.060 . 0 0 "[ . 1 ]" 1
240 1 5 C H1' 1 5 C H3' 3.500 . 7.000 3.900 3.866 3.920 . 0 0 "[ . 1 ]" 1
241 1 4 C H3' 1 5 C H5 3.500 . 7.000 3.918 3.836 4.001 . 0 0 "[ . 1 ]" 1
242 1 4 C H3' 1 5 C H6 3.500 . 7.000 2.878 2.806 2.993 . 0 0 "[ . 1 ]" 1
243 1 6 C H1' 1 6 C H3' 3.500 . 7.000 3.876 3.816 3.989 . 0 0 "[ . 1 ]" 1
244 1 5 C H2' 1 6 C H5 3.500 . 7.000 3.920 3.820 4.046 . 0 0 "[ . 1 ]" 1
245 1 6 C H3' 1 6 C H6 3.500 . 7.000 3.361 3.083 3.876 . 0 0 "[ . 1 ]" 1
246 1 7 AP7 H1' 1 7 AP7 H3' 3.500 . 7.000 3.759 3.741 3.767 . 0 0 "[ . 1 ]" 1
247 1 6 C H3' 1 7 AP7 H8 3.500 . 7.000 3.910 3.451 4.414 . 0 0 "[ . 1 ]" 1
248 1 8 C H1' 1 8 C H3' 3.500 . 7.000 3.901 3.891 3.911 . 0 0 "[ . 1 ]" 1
249 1 8 C H2' 1 8 C H5 3.500 . 7.000 5.743 5.709 5.758 . 0 0 "[ . 1 ]" 1
250 1 8 C H3' 1 8 C H6 3.500 . 7.000 3.325 3.214 3.424 . 0 0 "[ . 1 ]" 1
251 1 8 C H1' 1 9 C H5 3.500 . 7.000 5.429 5.395 5.479 . 0 0 "[ . 1 ]" 1
252 1 9 C H3' 1 9 C H5 3.500 . 7.000 4.659 4.621 4.679 . 0 0 "[ . 1 ]" 1
253 1 8 C H6 1 9 C H6 3.500 . 7.000 4.241 4.163 4.335 . 0 0 "[ . 1 ]" 1
254 1 11 C H2' 1 11 C H5 3.500 . 7.000 4.934 4.874 5.048 . 0 0 "[ . 1 ]" 1
255 1 11 C H3' 1 11 C H5 3.500 . 7.000 6.880 6.797 7.045 0.045 4 0 "[ . 1 ]" 1
256 1 12 G H1' 1 13 G H1' 3.500 . 7.000 6.286 5.909 6.609 . 0 0 "[ . 1 ]" 1
257 1 13 G H2' 1 13 G H8 3.500 . 7.000 4.213 4.089 4.270 . 0 0 "[ . 1 ]" 1
258 1 13 G H3' 1 13 G H8 3.500 . 7.000 3.321 3.028 3.434 . 0 0 "[ . 1 ]" 1
259 1 13 G H8 1 14 C H5 3.500 . 7.000 3.527 3.458 3.579 . 0 0 "[ . 1 ]" 1
260 1 13 G H1' 1 14 C H5 3.500 . 7.000 5.568 5.470 5.667 . 0 0 "[ . 1 ]" 1
261 1 13 G H2' 1 14 C H5 3.500 . 7.000 4.109 3.975 4.232 . 0 0 "[ . 1 ]" 1
262 1 14 C H2' 1 14 C H5 3.500 . 7.000 5.367 5.303 5.420 . 0 0 "[ . 1 ]" 1
263 1 14 C H3' 1 14 C H6 3.500 . 7.000 5.079 4.613 5.163 . 0 0 "[ . 1 ]" 1
264 1 14 C H2' 1 15 G H3' 3.500 . 7.000 4.926 4.503 5.424 . 0 0 "[ . 1 ]" 1
265 1 15 G H2' 1 15 G H3' 3.500 . 7.000 2.348 2.315 2.364 . 0 0 "[ . 1 ]" 1
266 1 16 A H2' 1 16 A H3' 3.500 . 7.000 2.358 2.229 2.419 . 0 0 "[ . 1 ]" 1
267 1 15 G H2' 1 16 A H8 3.500 . 7.000 5.106 4.847 5.532 . 0 0 "[ . 1 ]" 1
268 1 17 G H1' 1 17 G H3' 3.500 . 7.000 3.885 3.856 3.918 . 0 0 "[ . 1 ]" 1
269 1 17 G H3' 1 17 G H8 3.500 . 7.000 3.561 3.388 3.652 . 0 0 "[ . 1 ]" 1
270 1 18 G H1' 1 18 G H3' 3.500 . 7.000 3.873 3.843 3.889 . 0 0 "[ . 1 ]" 1
271 1 17 G H3' 1 18 G H8 3.500 . 7.000 3.340 3.086 3.568 . 0 0 "[ . 1 ]" 1
272 1 18 G H3' 1 18 G H8 3.500 . 7.000 3.426 3.378 3.477 . 0 0 "[ . 1 ]" 1
273 1 19 U H1' 1 19 U H3' 3.500 . 7.000 3.913 3.898 3.928 . 0 0 "[ . 1 ]" 1
274 1 19 U H3' 1 19 U H6 3.500 . 7.000 3.843 3.746 3.961 . 0 0 "[ . 1 ]" 1
275 1 20 C H1' 1 20 C H3' 3.500 . 7.000 3.910 3.890 3.928 . 0 0 "[ . 1 ]" 1
276 1 20 C H2' 1 20 C H5 3.500 . 7.000 5.154 5.079 5.244 . 0 0 "[ . 1 ]" 1
277 1 19 U H3' 1 20 C H6 3.500 . 7.000 3.464 3.291 3.620 . 0 0 "[ . 1 ]" 1
278 1 21 C H1' 1 22 A H2' 3.500 . 7.000 6.545 4.974 7.081 0.081 9 0 "[ . 1 ]" 1
279 1 20 C H3' 1 21 C H5 3.500 . 7.000 4.400 4.166 4.668 . 0 0 "[ . 1 ]" 1
280 1 20 C H3' 1 21 C H6 3.500 . 7.000 3.782 3.539 4.041 . 0 0 "[ . 1 ]" 1
281 1 20 C H5 1 21 C H6 3.500 . 7.000 5.425 5.273 5.579 . 0 0 "[ . 1 ]" 1
282 1 21 C H3' 1 21 C H6 3.500 . 7.000 2.828 2.723 2.927 . 0 0 "[ . 1 ]" 1
283 1 22 A H2 1 22 A H3' 3.500 . 7.000 7.032 7.011 7.057 0.057 9 0 "[ . 1 ]" 1
284 1 21 C H3' 1 22 A H8 3.500 . 7.000 4.527 3.707 5.503 . 0 0 "[ . 1 ]" 1
285 1 22 A H3' 1 22 A H8 3.500 . 7.000 3.915 3.383 5.584 . 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 25
_Distance_constraint_stats_list.Viol_count 221
_Distance_constraint_stats_list.Viol_total 507.434
_Distance_constraint_stats_list.Viol_max 0.302
_Distance_constraint_stats_list.Viol_rms 0.0996
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1677
_Distance_constraint_stats_list.Viol_average_violations_only 0.2087
_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 7.562 0.269 4 0 "[ . 1 ]"
1 2 G 6.683 0.270 1 0 "[ . 1 ]"
1 3 A 4.371 0.268 10 0 "[ . 1 ]"
1 4 C 7.002 0.260 10 0 "[ . 1 ]"
1 5 C 7.802 0.282 2 0 "[ . 1 ]"
1 6 C 5.583 0.302 4 0 "[ . 1 ]"
1 7 AP7 0.035 0.011 10 0 "[ . 1 ]"
1 8 C 7.093 0.247 7 0 "[ . 1 ]"
1 9 C 0.000 0.000 . 0 "[ . 1 ]"
1 12 G 0.000 0.000 . 0 "[ . 1 ]"
1 13 G 7.093 0.247 7 0 "[ . 1 ]"
1 14 C 0.035 0.011 10 0 "[ . 1 ]"
1 15 G 5.583 0.302 4 0 "[ . 1 ]"
1 17 G 7.802 0.282 2 0 "[ . 1 ]"
1 18 G 7.002 0.260 10 0 "[ . 1 ]"
1 19 U 4.371 0.268 10 0 "[ . 1 ]"
1 20 C 6.683 0.270 1 0 "[ . 1 ]"
1 21 C 7.562 0.269 4 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 H22 1 21 C O2 1.000 . 2.000 2.224 2.210 2.241 0.241 5 0 "[ . 1 ]" 2
2 1 1 G H1 1 21 C N3 1.000 . 2.000 2.246 2.227 2.269 0.269 4 0 "[ . 1 ]" 2
3 1 1 G O6 1 21 C H41 1.000 . 2.000 2.218 2.206 2.240 0.240 5 0 "[ . 1 ]" 2
4 1 2 G H22 1 20 C O2 1.000 . 2.000 2.130 2.006 2.207 0.207 6 0 "[ . 1 ]" 2
5 1 2 G H1 1 20 C N3 1.000 . 2.000 2.228 2.212 2.253 0.253 4 0 "[ . 1 ]" 2
6 1 2 G O6 1 20 C H41 1.000 . 2.000 2.250 2.231 2.270 0.270 1 0 "[ . 1 ]" 2
7 1 3 A N1 1 19 U H3 1.000 . 2.000 2.256 2.246 2.268 0.268 10 0 "[ . 1 ]" 2
8 1 3 A H61 1 19 U O4 1.000 . 2.000 2.142 2.098 2.196 0.196 8 0 "[ . 1 ]" 2
9 1 4 C O2 1 18 G H22 1.000 . 2.000 2.224 2.217 2.228 0.228 6 0 "[ . 1 ]" 2
10 1 4 C N3 1 18 G H1 1.000 . 2.000 2.241 2.232 2.260 0.260 10 0 "[ . 1 ]" 2
11 1 4 C H41 1 18 G O6 1.000 . 2.000 2.172 2.121 2.210 0.210 8 0 "[ . 1 ]" 2
12 1 5 C O2 1 17 G H22 1.000 . 2.000 2.233 2.210 2.246 0.246 5 0 "[ . 1 ]" 2
13 1 5 C N3 1 17 G H1 1.000 . 2.000 2.272 2.258 2.282 0.282 2 0 "[ . 1 ]" 2
14 1 5 C H41 1 17 G O6 1.000 . 2.000 2.204 2.162 2.226 0.226 6 0 "[ . 1 ]" 2
15 1 6 C O2 1 15 G H22 1.000 . 2.000 2.005 1.882 2.087 0.087 6 0 "[ . 1 ]" 2
16 1 6 C N3 1 15 G H1 1.000 . 2.000 2.204 2.181 2.223 0.223 7 0 "[ . 1 ]" 2
17 1 6 C H41 1 15 G O6 1.000 . 2.000 2.273 2.250 2.302 0.302 4 0 "[ . 1 ]" 2
18 1 8 C O2 1 13 G H22 1.000 . 2.000 2.190 2.090 2.215 0.215 5 0 "[ . 1 ]" 2
19 1 8 C N3 1 13 G H1 1.000 . 2.000 2.240 2.222 2.247 0.247 7 0 "[ . 1 ]" 2
20 1 8 C H41 1 13 G O6 1.000 . 2.000 2.215 2.201 2.231 0.231 2 0 "[ . 1 ]" 2
21 1 9 C O2 1 12 G H1 1.000 . 3.000 1.935 1.797 1.988 . 0 0 "[ . 1 ]" 2
22 1 7 AP7 N6 1 14 C N3 2.900 2.600 3.200 3.076 3.007 3.154 . 0 0 "[ . 1 ]" 2
23 1 7 AP7 H62 1 14 C N3 1.900 . 2.200 2.191 2.131 2.211 0.011 10 0 "[ . 1 ]" 2
24 1 7 AP7 N1 1 14 C O2 3.000 2.700 3.300 3.160 3.149 3.172 . 0 0 "[ . 1 ]" 2
25 1 7 AP7 H1 1 14 C O2 2.000 . 2.300 2.246 2.216 2.272 . 0 0 "[ . 1 ]" 2
stop_
save_
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