NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
477138 |
2kry   |
16654 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kry
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 296
_Distance_constraint_stats_list.Viol_count 290
_Distance_constraint_stats_list.Viol_total 150.145
_Distance_constraint_stats_list.Viol_max 0.589
_Distance_constraint_stats_list.Viol_rms 0.0291
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0051
_Distance_constraint_stats_list.Viol_average_violations_only 0.0518
_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 PSU 0.496 0.031 9 0 "[ . 1]"
1 2 C 0.386 0.032 8 0 "[ . 1]"
1 3 G 0.298 0.057 2 0 "[ . 1]"
1 4 G 0.051 0.021 6 0 "[ . 1]"
1 5 G 0.304 0.025 10 0 "[ . 1]"
1 6 C 0.390 0.061 5 0 "[ . 1]"
1 7 C 1.657 0.589 5 1 "[ + 1]"
1 8 . 1.022 0.589 5 1 "[ + 1]"
1 9 A 8.238 0.349 10 0 "[ . 1]"
1 10 U 6.687 0.349 10 0 "[ . 1]"
1 11 A 1.445 0.095 6 0 "[ . 1]"
1 12 C 1.471 0.095 6 0 "[ . 1]"
1 13 C 0.613 0.082 4 0 "[ . 1]"
1 14 C 1.111 0.094 7 0 "[ . 1]"
1 15 C 1.722 0.116 2 0 "[ . 1]"
1 16 G 1.499 0.116 2 0 "[ . 1]"
1 17 A 0.774 0.114 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 PSU H1' 1 1 PSU H5'' 6.000 3.000 6.000 5.187 5.174 5.210 . 0 0 "[ . 1]" 1
2 1 1 PSU H1' 1 1 PSU H5' 6.000 3.000 6.000 4.592 4.496 4.735 . 0 0 "[ . 1]" 1
3 1 1 PSU H3' 1 1 PSU H5' 4.000 . 4.000 3.684 3.594 3.748 . 0 0 "[ . 1]" 1
4 1 1 PSU H2' 1 1 PSU H3' 3.000 . 3.000 2.401 2.393 2.407 . 0 0 "[ . 1]" 1
5 1 1 PSU H3' 1 1 PSU H6 4.000 . 4.000 2.675 2.178 3.200 . 0 0 "[ . 1]" 1
6 1 1 PSU H3' 1 1 PSU H4' 4.000 . 4.000 3.001 2.997 3.007 . 0 0 "[ . 1]" 1
7 1 1 PSU H4' 1 1 PSU H5' 4.000 . 4.000 2.493 2.351 2.616 . 0 0 "[ . 1]" 1
8 1 1 PSU H5' 1 1 PSU H5'' 3.000 . 3.000 1.775 1.773 1.775 0.027 8 0 "[ . 1]" 1
9 1 1 PSU H2' 1 1 PSU H6 5.000 . 5.000 3.637 3.174 4.040 . 0 0 "[ . 1]" 1
10 1 1 PSU H4' 1 1 PSU H6 5.000 3.000 5.000 4.027 3.980 4.068 . 0 0 "[ . 1]" 1
11 1 1 PSU H1' 1 1 PSU H6 6.000 3.000 6.000 3.565 3.437 3.677 . 0 0 "[ . 1]" 1
12 1 1 PSU H5'' 1 1 PSU H6 6.000 4.000 6.000 3.982 3.969 3.996 0.031 9 0 "[ . 1]" 1
13 1 1 PSU H5' 1 1 PSU H6 6.000 3.000 6.000 3.449 3.029 3.725 . 0 0 "[ . 1]" 1
14 1 1 PSU H2' 1 2 C H6 3.000 . 3.000 2.483 2.192 2.991 . 0 0 "[ . 1]" 1
15 1 1 PSU H3' 1 2 C H6 6.000 3.000 6.000 3.223 2.974 3.429 0.026 2 0 "[ . 1]" 1
16 1 1 PSU H2' 1 2 C H5 5.000 3.000 5.000 3.276 2.994 3.808 0.006 4 0 "[ . 1]" 1
17 1 1 PSU H3' 1 2 C H5 4.000 . 4.000 3.014 2.602 3.481 . 0 0 "[ . 1]" 1
18 1 1 PSU H6 1 2 C H5 5.000 3.000 5.000 3.798 3.276 4.781 . 0 0 "[ . 1]" 1
19 1 1 PSU H6 1 2 C H6 6.000 3.000 6.000 5.069 4.609 5.891 . 0 0 "[ . 1]" 1
20 1 1 PSU H1' 1 2 C H6 6.000 3.000 6.000 5.271 4.978 5.774 . 0 0 "[ . 1]" 1
21 1 1 PSU H2' 1 2 C H1' 6.000 3.000 6.000 4.587 3.594 6.006 0.006 4 0 "[ . 1]" 1
22 1 2 C H1' 1 2 C H2' 3.000 . 3.000 2.782 2.755 2.809 . 0 0 "[ . 1]" 1
23 1 2 C H1' 1 2 C H4' 5.000 . 5.000 3.498 3.341 3.594 . 0 0 "[ . 1]" 1
24 1 2 C H1' 1 2 C H5 6.000 3.000 6.000 5.334 5.254 5.389 . 0 0 "[ . 1]" 1
25 1 2 C H1' 1 2 C H6 5.000 . 5.000 3.597 3.464 3.677 . 0 0 "[ . 1]" 1
26 1 2 C H2' 1 2 C H6 6.000 3.000 6.000 3.727 3.454 4.134 . 0 0 "[ . 1]" 1
27 1 2 C H5 1 2 C H6 3.000 . 3.000 2.438 2.436 2.440 . 0 0 "[ . 1]" 1
28 1 2 C H5' 1 2 C H5'' 3.000 . 3.000 1.776 1.775 1.777 0.025 2 0 "[ . 1]" 1
29 1 2 C H5' 1 2 C H6 5.000 . 5.000 3.144 2.614 3.761 . 0 0 "[ . 1]" 1
30 1 2 C H5'' 1 2 C H6 5.000 . 5.000 3.710 3.615 3.802 . 0 0 "[ . 1]" 1
31 1 2 C H3' 1 2 C H6 5.000 . 5.000 2.573 2.178 3.031 . 0 0 "[ . 1]" 1
32 1 2 C H3' 1 2 C H5 6.000 3.000 6.000 4.464 4.227 4.755 . 0 0 "[ . 1]" 1
33 1 2 C H2' 1 3 G H8 3.000 . 3.200 2.274 2.036 2.380 . 0 0 "[ . 1]" 1
34 1 2 C H1' 1 3 G H8 5.000 3.000 5.000 4.985 4.832 5.032 0.032 8 0 "[ . 1]" 1
35 1 2 C H1' 1 17 A H2 5.000 . 5.000 4.430 3.138 5.006 0.006 3 0 "[ . 1]" 1
36 1 2 C H6 1 3 G H8 6.000 3.000 6.000 4.713 3.893 5.358 . 0 0 "[ . 1]" 1
37 1 2 C H3' 1 3 G H8 5.000 . 5.000 2.925 2.493 3.244 . 0 0 "[ . 1]" 1
38 1 2 C H4' 1 3 G H8 6.000 3.000 6.000 5.366 5.122 5.549 . 0 0 "[ . 1]" 1
39 1 2 C H2' 1 3 G H1' 6.000 3.000 6.000 4.073 3.656 4.663 . 0 0 "[ . 1]" 1
40 1 3 G H1' 1 3 G H2' 3.000 . 3.000 2.797 2.771 2.832 . 0 0 "[ . 1]" 1
41 1 3 G H2' 1 3 G H3' 3.000 . 3.000 2.411 2.406 2.419 . 0 0 "[ . 1]" 1
42 1 3 G H1' 1 3 G H8 5.000 . 5.000 3.757 3.634 3.824 . 0 0 "[ . 1]" 1
43 1 3 G H5'' 1 3 G H8 6.000 4.000 6.000 4.107 3.943 4.336 0.057 2 0 "[ . 1]" 1
44 1 3 G H2' 1 3 G H8 5.000 3.000 5.000 3.851 3.618 4.189 . 0 0 "[ . 1]" 1
45 1 3 G H3' 1 3 G H8 5.000 . 5.000 2.781 2.471 3.261 . 0 0 "[ . 1]" 1
46 1 3 G H5' 1 3 G H8 6.000 3.000 6.000 3.623 3.197 4.048 . 0 0 "[ . 1]" 1
47 1 3 G H2' 1 4 G H8 3.000 . 3.200 2.231 2.078 2.407 . 0 0 "[ . 1]" 1
48 1 3 G H1' 1 4 G H8 5.000 . 5.000 4.918 4.719 5.021 0.021 6 0 "[ . 1]" 1
49 1 3 G H8 1 4 G H8 6.000 3.000 6.000 4.680 3.908 5.571 . 0 0 "[ . 1]" 1
50 1 3 G H3' 1 4 G H8 5.000 . 5.000 2.985 2.623 3.472 . 0 0 "[ . 1]" 1
51 1 4 G H1' 1 4 G H2' 3.000 . 3.000 2.796 2.773 2.811 . 0 0 "[ . 1]" 1
52 1 4 G H2' 1 4 G H8 5.000 . 5.000 3.989 3.817 4.202 . 0 0 "[ . 1]" 1
53 1 4 G H1' 1 4 G H3' 5.000 . 5.000 3.854 3.831 3.877 . 0 0 "[ . 1]" 1
54 1 4 G H2' 1 4 G H3' 3.000 . 3.000 2.412 2.404 2.421 . 0 0 "[ . 1]" 1
55 1 4 G H3' 1 4 G H8 4.000 . 4.000 2.967 2.712 3.364 . 0 0 "[ . 1]" 1
56 1 4 G H4' 1 4 G H8 6.000 3.000 6.000 4.277 4.138 4.419 . 0 0 "[ . 1]" 1
57 1 4 G H1' 1 4 G H4' 5.000 . 5.000 3.408 3.328 3.536 . 0 0 "[ . 1]" 1
58 1 4 G H1' 1 4 G H8 5.000 . 5.000 3.714 3.614 3.775 . 0 0 "[ . 1]" 1
59 1 4 G H5' 1 4 G H8 6.000 3.000 6.000 3.836 3.588 4.062 . 0 0 "[ . 1]" 1
60 1 4 G H1' 1 5 G H8 5.000 3.000 5.000 4.809 4.693 4.912 . 0 0 "[ . 1]" 1
61 1 4 G H2' 1 5 G H8 3.000 . 3.200 2.122 2.033 2.276 . 0 0 "[ . 1]" 1
62 1 4 G H3' 1 5 G H8 5.000 . 5.000 3.027 2.529 3.531 . 0 0 "[ . 1]" 1
63 1 4 G H8 1 5 G H8 6.000 3.000 6.000 4.948 4.114 5.685 . 0 0 "[ . 1]" 1
64 1 4 G H2' 1 5 G H1' 6.000 3.000 6.000 4.060 3.254 4.996 . 0 0 "[ . 1]" 1
65 1 5 G H1' 1 5 G H2' 3.000 . 3.000 2.778 2.750 2.801 . 0 0 "[ . 1]" 1
66 1 5 G H1' 1 5 G H8 5.000 . 5.000 3.676 3.625 3.773 . 0 0 "[ . 1]" 1
67 1 5 G H2' 1 5 G H3' 3.000 . 3.000 2.424 2.419 2.438 . 0 0 "[ . 1]" 1
68 1 5 G H1' 1 5 G H3' 5.000 . 5.000 3.820 3.783 3.837 . 0 0 "[ . 1]" 1
69 1 5 G H3' 1 5 G H8 4.000 . 4.000 2.994 2.479 3.205 . 0 0 "[ . 1]" 1
70 1 5 G H5' 1 5 G H5'' 3.000 . 3.000 1.776 1.775 1.777 0.025 10 0 "[ . 1]" 1
71 1 5 G H2' 1 5 G H8 5.000 3.000 5.000 4.107 3.914 4.237 . 0 0 "[ . 1]" 1
72 1 5 G H5' 1 5 G H8 6.000 3.000 6.000 3.722 3.132 4.074 . 0 0 "[ . 1]" 1
73 1 5 G H1' 1 5 G H4' 6.000 3.000 6.000 3.445 3.326 3.591 . 0 0 "[ . 1]" 1
74 1 5 G H1' 1 6 C H6 6.000 3.000 6.000 4.321 4.157 4.462 . 0 0 "[ . 1]" 1
75 1 5 G H2' 1 6 C H5 5.000 . 5.000 3.796 3.690 3.900 . 0 0 "[ . 1]" 1
76 1 5 G H2' 1 6 C H6 3.000 . 3.200 2.014 1.901 2.062 . 0 0 "[ . 1]" 1
77 1 5 G H3' 1 6 C H5 5.000 . 5.000 3.080 2.689 3.364 . 0 0 "[ . 1]" 1
78 1 5 G H8 1 6 C H6 6.000 3.000 6.000 4.226 3.924 4.364 . 0 0 "[ . 1]" 1
79 1 5 G H8 1 6 C H5 6.000 3.000 6.000 3.064 2.977 3.220 0.023 8 0 "[ . 1]" 1
80 1 5 G H3' 1 6 C H6 5.000 . 5.000 2.811 2.601 3.106 . 0 0 "[ . 1]" 1
81 1 5 G H4' 1 6 C H6 6.000 3.000 6.000 5.311 5.207 5.507 . 0 0 "[ . 1]" 1
82 1 5 G H2' 1 6 C H1' 6.000 3.000 6.000 4.404 3.850 4.690 . 0 0 "[ . 1]" 1
83 1 6 C H1' 1 6 C H2' 3.000 . 3.000 2.799 2.779 2.832 . 0 0 "[ . 1]" 1
84 1 6 C H1' 1 6 C H4' 5.000 . 5.000 3.389 3.292 3.464 . 0 0 "[ . 1]" 1
85 1 6 C H2' 1 6 C H3' 3.000 . 3.000 2.413 2.401 2.420 . 0 0 "[ . 1]" 1
86 1 6 C H1' 1 6 C H6 5.000 3.000 5.000 3.420 3.331 3.482 . 0 0 "[ . 1]" 1
87 1 6 C H2' 1 6 C H5 6.000 3.000 6.000 5.502 5.388 5.644 . 0 0 "[ . 1]" 1
88 1 6 C H1' 1 6 C H3' 6.000 3.000 6.000 3.842 3.818 3.881 . 0 0 "[ . 1]" 1
89 1 6 C H4' 1 6 C H6 6.000 3.000 6.000 4.102 4.032 4.184 . 0 0 "[ . 1]" 1
90 1 6 C H2' 1 6 C H6 5.000 . 5.000 4.120 3.990 4.262 . 0 0 "[ . 1]" 1
91 1 6 C H3' 1 6 C H6 4.000 . 4.000 3.223 3.071 3.466 . 0 0 "[ . 1]" 1
92 1 6 C H5 1 6 C H6 3.000 . 3.000 2.428 2.419 2.433 . 0 0 "[ . 1]" 1
93 1 6 C H3' 1 7 C H5 5.000 . 5.000 2.854 2.661 3.043 . 0 0 "[ . 1]" 1
94 1 6 C H3' 1 7 C H6 4.000 . 4.000 2.103 1.985 2.238 0.015 9 0 "[ . 1]" 1
95 1 6 C H2' 1 7 C H5 5.000 . 5.000 4.413 4.306 4.548 . 0 0 "[ . 1]" 1
96 1 6 C H2' 1 7 C H6 3.000 . 3.200 2.297 2.081 2.808 . 0 0 "[ . 1]" 1
97 1 6 C H5 1 7 C H5 5.000 . 5.000 4.233 3.742 4.658 . 0 0 "[ . 1]" 1
98 1 6 C H1' 1 7 C H6 6.000 3.000 6.000 4.626 4.404 5.221 . 0 0 "[ . 1]" 1
99 1 6 C H6 1 7 C H5 6.000 3.000 6.000 4.059 3.823 4.494 . 0 0 "[ . 1]" 1
100 1 6 C H6 1 7 C H6 6.000 3.000 6.000 4.198 3.803 4.641 . 0 0 "[ . 1]" 1
101 1 6 C H2' 1 7 C H1' 5.000 3.000 5.000 3.584 3.379 3.932 . 0 0 "[ . 1]" 1
102 1 6 C H1' 1 7 C H5 6.000 3.000 6.000 6.032 6.001 6.061 0.061 5 0 "[ . 1]" 1
103 1 6 C H5 1 7 C H6 6.000 3.000 6.000 4.917 4.376 5.441 . 0 0 "[ . 1]" 1
104 1 7 C H1' 1 7 C H6 5.000 . 5.000 3.366 3.246 3.625 . 0 0 "[ . 1]" 1
105 1 7 C H5 1 7 C H6 3.000 . 3.000 2.435 2.432 2.439 . 0 0 "[ . 1]" 1
106 1 7 C H5' 1 7 C H6 5.000 . 5.000 3.454 3.276 3.652 . 0 0 "[ . 1]" 1
107 1 7 C H2' 1 7 C H6 6.000 3.000 6.000 4.170 3.609 4.379 . 0 0 "[ . 1]" 1
108 1 7 C H3' 1 7 C H6 5.000 . 5.000 3.430 2.680 3.783 . 0 0 "[ . 1]" 1
109 1 7 C H3' 1 9 A H8 6.000 4.000 6.000 5.402 4.842 5.685 . 0 0 "[ . 1]" 1
110 1 7 C H1' 1 9 A H8 5.000 3.000 5.000 5.067 5.012 5.135 0.135 4 0 "[ . 1]" 1
111 1 7 C H2' 1 9 A H8 5.000 . 5.000 3.314 3.045 3.683 . 0 0 "[ . 1]" 1
112 1 7 C H3' 1 8 . H6 6.000 3.000 6.000 5.791 5.338 6.024 0.024 8 0 "[ . 1]" 1
113 1 8 . H1' 1 8 . H6 5.000 . 5.000 3.597 3.545 3.688 . 0 0 "[ . 1]" 1
114 1 8 . H3' 1 8 . H6 5.000 . 5.000 2.844 2.548 3.162 . 0 0 "[ . 1]" 1
115 1 8 . H2' 1 8 . H6 6.000 3.000 6.000 3.590 3.132 3.818 . 0 0 "[ . 1]" 1
116 1 8 . H1' 1 8 . H2' 3.000 . 3.000 2.850 2.821 2.885 . 0 0 "[ . 1]" 1
117 1 8 . H1' 1 8 . H3' 5.000 . 5.000 3.915 3.893 3.937 . 0 0 "[ . 1]" 1
118 1 8 . H1' 1 8 . H4' 5.000 . 5.000 3.268 3.158 3.376 . 0 0 "[ . 1]" 1
119 1 8 . H5' 1 8 . H6 6.000 3.000 6.000 3.212 2.975 3.501 0.025 8 0 "[ . 1]" 1
120 1 8 . H5'A 1 8 . H6 6.000 3.000 6.000 4.233 4.059 4.420 . 0 0 "[ . 1]" 1
121 1 8 . H1' 1 9 A H8 6.000 3.000 6.000 5.883 5.731 6.024 0.024 10 0 "[ . 1]" 1
122 1 8 . H6 1 9 A H8 5.000 . 5.000 4.866 4.509 5.031 0.031 5 0 "[ . 1]" 1
123 1 8 . H2' 1 9 A H8 3.000 . 3.200 3.141 3.011 3.240 0.040 5 0 "[ . 1]" 1
124 1 8 . H3' 1 9 A H8 5.000 . 5.000 3.147 2.963 3.328 . 0 0 "[ . 1]" 1
125 1 9 A H1' 1 9 A H2' 3.000 . 3.000 2.778 2.764 2.787 . 0 0 "[ . 1]" 1
126 1 9 A H1' 1 9 A H3' 6.000 3.000 6.000 3.890 3.864 3.912 . 0 0 "[ . 1]" 1
127 1 9 A H1' 1 9 A H4' 5.000 . 5.000 3.571 3.498 3.637 . 0 0 "[ . 1]" 1
128 1 9 A H1' 1 9 A H8 5.000 . 5.000 3.843 3.825 3.868 . 0 0 "[ . 1]" 1
129 1 9 A H2' 1 9 A H3' 4.000 . 4.000 2.413 2.406 2.421 . 0 0 "[ . 1]" 1
130 1 9 A H2' 1 9 A H8 5.000 . 5.000 3.208 3.135 3.257 . 0 0 "[ . 1]" 1
131 1 9 A H3' 1 9 A H4' 5.000 3.000 5.000 2.989 2.982 2.997 0.018 10 0 "[ . 1]" 1
132 1 9 A H3' 1 9 A H8 4.000 . 4.000 1.993 1.944 2.048 0.056 7 0 "[ . 1]" 1
133 1 9 A H5' 1 9 A H5'' 3.000 . 3.000 1.776 1.775 1.776 0.025 3 0 "[ . 1]" 1
134 1 9 A H5' 1 9 A H8 6.000 3.000 6.000 3.482 3.301 3.747 . 0 0 "[ . 1]" 1
135 1 9 A H5'' 1 9 A H8 6.000 3.000 6.000 3.909 3.763 4.156 . 0 0 "[ . 1]" 1
136 1 9 A H1' 1 9 A H2 6.000 3.000 6.000 4.563 4.522 4.591 . 0 0 "[ . 1]" 1
137 1 9 A H8 1 10 U H6 6.000 3.000 6.000 6.331 6.312 6.349 0.349 10 0 "[ . 1]" 1
138 1 9 A H2' 1 10 U H6 6.000 3.000 6.000 3.431 3.337 3.635 . 0 0 "[ . 1]" 1
139 1 9 A H2 1 11 A H1' 4.000 . 4.000 3.705 3.239 4.018 0.018 8 0 "[ . 1]" 1
140 1 10 U H5 1 10 U H6 3.000 . 3.000 2.413 2.410 2.416 . 0 0 "[ . 1]" 1
141 1 10 U H1' 1 10 U H6 5.000 3.000 5.000 3.718 3.713 3.725 . 0 0 "[ . 1]" 1
142 1 10 U H3' 1 10 U H6 5.000 . 5.000 4.256 4.139 4.350 . 0 0 "[ . 1]" 1
143 1 10 U H5' 1 10 U H6 6.000 3.000 6.000 4.303 4.014 4.492 . 0 0 "[ . 1]" 1
144 1 10 U H5'' 1 10 U H6 6.000 3.000 6.000 4.006 3.003 4.463 . 0 0 "[ . 1]" 1
145 1 10 U H2' 1 10 U H6 4.000 . 4.000 2.413 2.397 2.430 . 0 0 "[ . 1]" 1
146 1 10 U H1' 1 10 U H2' 4.000 . 4.000 3.079 3.070 3.086 . 0 0 "[ . 1]" 1
147 1 10 U H1' 1 10 U H4' 5.000 . 5.000 3.215 3.058 3.387 . 0 0 "[ . 1]" 1
148 1 10 U H6 1 11 A H8 6.000 3.000 6.000 5.825 5.501 6.022 0.022 7 0 "[ . 1]" 1
149 1 10 U H3' 1 11 A H8 5.000 . 5.000 2.293 2.109 2.671 . 0 0 "[ . 1]" 1
150 1 10 U H2' 1 11 A H8 5.000 3.000 5.000 3.700 3.203 3.931 . 0 0 "[ . 1]" 1
151 1 11 A H1' 1 11 A H2' 5.000 . 5.000 2.736 2.725 2.753 . 0 0 "[ . 1]" 1
152 1 11 A H1' 1 11 A H4' 4.000 . 4.000 3.654 3.565 3.707 . 0 0 "[ . 1]" 1
153 1 11 A H1' 1 11 A H8 5.000 . 5.000 3.446 3.413 3.469 . 0 0 "[ . 1]" 1
154 1 11 A H2' 1 11 A H3' 3.000 . 3.000 2.415 2.408 2.420 . 0 0 "[ . 1]" 1
155 1 11 A H3' 1 11 A H8 4.000 . 4.000 3.718 3.636 3.833 . 0 0 "[ . 1]" 1
156 1 11 A H5' 1 11 A H5'' 3.000 . 3.000 1.776 1.775 1.777 0.025 6 0 "[ . 1]" 1
157 1 11 A H2' 1 11 A H8 6.000 3.000 6.000 4.534 4.514 4.565 . 0 0 "[ . 1]" 1
158 1 11 A H5'' 1 11 A H8 6.000 3.000 6.000 4.189 4.040 4.478 . 0 0 "[ . 1]" 1
159 1 11 A H5' 1 11 A H8 6.000 3.000 6.000 3.562 3.398 3.921 . 0 0 "[ . 1]" 1
160 1 11 A H2 1 12 C H1' 3.000 . 3.000 2.999 2.832 3.055 0.055 5 0 "[ . 1]" 1
161 1 11 A H3' 1 12 C H5 6.000 3.000 6.000 3.029 2.948 3.274 0.052 5 0 "[ . 1]" 1
162 1 11 A H2' 1 12 C H5 6.000 3.000 6.000 4.408 4.306 4.521 . 0 0 "[ . 1]" 1
163 1 11 A H8 1 12 C H5 5.000 3.000 5.000 4.248 3.772 4.914 . 0 0 "[ . 1]" 1
164 1 11 A H1' 1 12 C H6 6.000 3.000 6.000 5.155 5.091 5.233 . 0 0 "[ . 1]" 1
165 1 11 A H2' 1 12 C H6 5.000 . 5.000 2.872 2.778 2.995 . 0 0 "[ . 1]" 1
166 1 11 A H3' 1 12 C H6 5.000 . 5.000 2.713 2.439 2.993 . 0 0 "[ . 1]" 1
167 1 11 A H8 1 12 C H6 6.000 3.000 6.000 5.229 4.995 5.504 . 0 0 "[ . 1]" 1
168 1 12 C H1' 1 12 C H2' 4.000 . 4.000 2.794 2.780 2.809 . 0 0 "[ . 1]" 1
169 1 12 C H1' 1 12 C H3' 6.000 3.000 6.000 3.877 3.857 3.895 . 0 0 "[ . 1]" 1
170 1 12 C H1' 1 12 C H6 6.000 3.000 6.000 3.510 3.440 3.553 . 0 0 "[ . 1]" 1
171 1 12 C H3' 1 12 C H6 5.000 . 5.000 3.003 2.845 3.199 . 0 0 "[ . 1]" 1
172 1 12 C H1' 1 12 C H4' 4.000 . 4.000 3.451 3.397 3.510 . 0 0 "[ . 1]" 1
173 1 12 C H4' 1 12 C H6 6.000 3.000 6.000 3.986 3.965 4.023 . 0 0 "[ . 1]" 1
174 1 12 C H2' 1 12 C H6 6.000 3.000 6.000 3.974 3.868 4.138 . 0 0 "[ . 1]" 1
175 1 12 C H5 1 12 C H6 3.000 . 3.000 2.440 2.438 2.441 . 0 0 "[ . 1]" 1
176 1 12 C H1' 1 13 C H6 6.000 3.000 6.000 4.879 4.770 5.014 . 0 0 "[ . 1]" 1
177 1 12 C H2' 1 13 C H6 3.000 . 3.000 2.347 2.115 2.599 . 0 0 "[ . 1]" 1
178 1 12 C H3' 1 13 C H6 5.000 . 5.000 2.269 2.149 2.496 . 0 0 "[ . 1]" 1
179 1 12 C H4' 1 13 C H6 5.000 3.000 5.000 5.031 4.948 5.082 0.082 4 0 "[ . 1]" 1
180 1 12 C H6 1 13 C H6 6.000 3.000 6.000 4.401 4.164 4.601 . 0 0 "[ . 1]" 1
181 1 12 C H2' 1 13 C H1' 6.000 3.000 6.000 3.781 3.410 4.520 . 0 0 "[ . 1]" 1
182 1 12 C H2' 1 13 C H5 5.000 3.000 5.000 4.116 3.811 4.479 . 0 0 "[ . 1]" 1
183 1 12 C H3' 1 13 C H5 5.000 . 5.000 2.587 2.413 2.783 . 0 0 "[ . 1]" 1
184 1 12 C H6 1 13 C H5 6.000 3.000 6.000 3.635 3.039 4.172 . 0 0 "[ . 1]" 1
185 1 13 C H1' 1 13 C H2' 3.000 . 3.000 2.785 2.773 2.796 . 0 0 "[ . 1]" 1
186 1 13 C H1' 1 13 C H3' 5.000 3.000 5.000 3.868 3.847 3.912 . 0 0 "[ . 1]" 1
187 1 13 C H1' 1 13 C H6 5.000 . 5.000 3.547 3.527 3.582 . 0 0 "[ . 1]" 1
188 1 13 C H4' 1 13 C H6 6.000 3.000 6.000 3.903 3.878 3.945 . 0 0 "[ . 1]" 1
189 1 13 C H2' 1 13 C H6 6.000 3.000 6.000 3.886 3.754 3.970 . 0 0 "[ . 1]" 1
190 1 13 C H5' 1 13 C H6 5.000 . 5.000 3.140 2.780 3.355 . 0 0 "[ . 1]" 1
191 1 13 C H3' 1 13 C H6 4.000 . 4.000 2.809 2.694 2.898 . 0 0 "[ . 1]" 1
192 1 13 C H5 1 13 C H6 3.000 . 3.000 2.435 2.434 2.437 . 0 0 "[ . 1]" 1
193 1 13 C H2' 1 14 C H6 3.000 . 3.000 2.271 2.229 2.340 . 0 0 "[ . 1]" 1
194 1 13 C H3' 1 14 C H5 5.000 . 5.000 3.117 2.613 3.538 . 0 0 "[ . 1]" 1
195 1 13 C H3' 1 14 C H6 5.000 . 5.000 2.884 2.494 3.083 . 0 0 "[ . 1]" 1
196 1 13 C H1' 1 14 C H6 5.000 3.000 5.000 5.004 4.926 5.028 0.028 1 0 "[ . 1]" 1
197 1 13 C H2' 1 14 C H5 5.000 . 5.000 3.724 3.354 4.171 . 0 0 "[ . 1]" 1
198 1 13 C H6 1 14 C H6 6.000 3.000 6.000 4.975 4.509 5.184 . 0 0 "[ . 1]" 1
199 1 13 C H5 1 14 C H6 6.000 3.000 6.000 5.903 5.250 6.039 0.039 6 0 "[ . 1]" 1
200 1 13 C H5 1 14 C H5 6.000 3.000 6.000 4.339 3.863 4.861 . 0 0 "[ . 1]" 1
201 1 14 C H1' 1 14 C H2' 3.000 . 3.000 2.789 2.778 2.811 . 0 0 "[ . 1]" 1
202 1 14 C H1' 1 14 C H4' 4.000 . 4.000 3.422 3.364 3.459 . 0 0 "[ . 1]" 1
203 1 14 C H5 1 14 C H6 3.000 . 3.000 2.437 2.435 2.439 . 0 0 "[ . 1]" 1
204 1 14 C H5' 1 14 C H6 5.000 . 5.000 3.330 3.078 3.534 . 0 0 "[ . 1]" 1
205 1 14 C H5'' 1 14 C H6 5.000 . 5.000 3.801 3.728 3.893 . 0 0 "[ . 1]" 1
206 1 14 C H1' 1 14 C H6 5.000 3.000 5.000 3.605 3.580 3.632 . 0 0 "[ . 1]" 1
207 1 14 C H3' 1 14 C H6 4.000 . 4.000 2.553 2.371 2.691 . 0 0 "[ . 1]" 1
208 1 14 C H4' 1 14 C H6 5.000 3.000 5.000 3.940 3.887 4.006 . 0 0 "[ . 1]" 1
209 1 14 C H2' 1 15 C H5 5.000 . 5.000 3.196 3.022 3.482 . 0 0 "[ . 1]" 1
210 1 14 C H3' 1 15 C H5 5.000 . 5.000 2.796 2.567 3.283 . 0 0 "[ . 1]" 1
211 1 14 C H1' 1 15 C H6 5.000 3.000 5.000 4.913 4.776 5.012 0.012 6 0 "[ . 1]" 1
212 1 14 C H2' 1 15 C H6 3.000 . 3.000 2.137 2.001 2.229 . 0 0 "[ . 1]" 1
213 1 14 C H6 1 15 C H6 6.000 3.000 6.000 4.867 4.771 4.940 . 0 0 "[ . 1]" 1
214 1 14 C H3' 1 15 C H6 5.000 . 5.000 2.880 2.739 3.095 . 0 0 "[ . 1]" 1
215 1 14 C H5 1 15 C H6 6.000 3.000 6.000 5.989 5.806 6.046 0.046 4 0 "[ . 1]" 1
216 1 14 C H4' 1 15 C H6 5.000 3.000 5.000 5.072 5.037 5.094 0.094 7 0 "[ . 1]" 1
217 1 14 C H2' 1 15 C H1' 6.000 3.000 6.000 3.863 3.546 4.062 . 0 0 "[ . 1]" 1
218 1 15 C H1' 1 15 C H2' 3.000 . 3.000 2.773 2.765 2.786 . 0 0 "[ . 1]" 1
219 1 15 C H1' 1 15 C H3' 5.000 3.000 5.000 3.831 3.811 3.871 . 0 0 "[ . 1]" 1
220 1 15 C H1' 1 15 C H4' 5.000 3.000 5.000 3.478 3.464 3.507 . 0 0 "[ . 1]" 1
221 1 15 C H1' 1 15 C H5' 6.000 3.000 6.000 4.626 4.580 4.778 . 0 0 "[ . 1]" 1
222 1 15 C H1' 1 15 C H6 5.000 3.000 5.000 3.558 3.452 3.595 . 0 0 "[ . 1]" 1
223 1 15 C H3' 1 15 C H5 5.000 3.000 5.000 4.474 4.340 4.726 . 0 0 "[ . 1]" 1
224 1 15 C H5 1 15 C H6 3.000 . 3.000 2.437 2.435 2.440 . 0 0 "[ . 1]" 1
225 1 15 C H5' 1 15 C H6 5.000 . 5.000 3.191 3.018 3.536 . 0 0 "[ . 1]" 1
226 1 15 C H5'' 1 15 C H6 5.000 . 5.000 3.756 3.703 3.826 . 0 0 "[ . 1]" 1
227 1 15 C H3' 1 15 C H6 4.000 . 4.000 2.700 2.540 3.114 . 0 0 "[ . 1]" 1
228 1 15 C H1' 1 16 G H8 5.000 3.000 5.000 4.784 4.638 4.975 . 0 0 "[ . 1]" 1
229 1 15 C H2' 1 16 G H8 3.000 . 3.200 2.106 1.993 2.313 . 0 0 "[ . 1]" 1
230 1 15 C H3' 1 16 G H8 5.000 . 5.000 2.639 2.466 2.778 . 0 0 "[ . 1]" 1
231 1 15 C H6 1 16 G H8 6.000 3.000 6.000 4.665 4.403 5.113 . 0 0 "[ . 1]" 1
232 1 15 C H4' 1 16 G H8 5.000 3.000 5.000 5.080 5.054 5.116 0.116 2 0 "[ . 1]" 1
233 1 15 C H2' 1 16 G H1' 6.000 3.000 6.000 3.682 3.297 4.220 . 0 0 "[ . 1]" 1
234 1 15 C H3' 1 16 G H1' 6.000 3.000 6.000 5.821 5.576 5.957 . 0 0 "[ . 1]" 1
235 1 16 G H1' 1 16 G H2' 3.000 . 3.000 2.791 2.773 2.816 . 0 0 "[ . 1]" 1
236 1 16 G H2' 1 16 G H3' 3.000 . 3.000 2.414 2.406 2.426 . 0 0 "[ . 1]" 1
237 1 16 G H1' 1 16 G H4' 5.000 3.000 5.000 3.431 3.320 3.493 . 0 0 "[ . 1]" 1
238 1 16 G H1' 1 16 G H8 5.000 . 5.000 3.719 3.600 3.747 . 0 0 "[ . 1]" 1
239 1 16 G H2' 1 16 G H8 5.000 . 5.000 4.003 3.885 4.258 . 0 0 "[ . 1]" 1
240 1 16 G H3' 1 16 G H8 4.000 . 4.000 2.954 2.785 3.439 . 0 0 "[ . 1]" 1
241 1 16 G H5' 1 16 G H8 5.000 . 5.000 3.538 3.351 3.828 . 0 0 "[ . 1]" 1
242 1 16 G H5'' 1 16 G H8 5.000 . 5.000 4.095 3.942 4.257 . 0 0 "[ . 1]" 1
243 1 16 G H1' 1 17 A H8 6.000 3.000 6.000 4.746 4.542 4.933 . 0 0 "[ . 1]" 1
244 1 16 G H2' 1 17 A H1' 5.000 3.000 5.000 3.697 3.405 5.030 0.030 5 0 "[ . 1]" 1
245 1 16 G H2' 1 17 A H8 3.000 . 3.000 2.148 2.032 2.204 . 0 0 "[ . 1]" 1
246 1 16 G H8 1 17 A H8 6.000 3.000 6.000 4.614 4.118 5.906 . 0 0 "[ . 1]" 1
247 1 16 G H3' 1 17 A H8 5.000 . 5.000 2.603 2.388 3.831 . 0 0 "[ . 1]" 1
248 1 16 G H4' 1 17 A H8 5.000 3.000 5.000 5.067 5.040 5.114 0.114 9 0 "[ . 1]" 1
249 1 17 A H1' 1 17 A H2 6.000 3.000 6.000 4.716 4.672 4.758 . 0 0 "[ . 1]" 1
250 1 17 A H1' 1 17 A H2' 3.000 . 3.000 2.805 2.779 2.820 . 0 0 "[ . 1]" 1
251 1 17 A H1' 1 17 A H3' 5.000 3.000 5.000 3.871 3.861 3.879 . 0 0 "[ . 1]" 1
252 1 17 A H1' 1 17 A H8 5.000 3.000 5.000 3.734 3.710 3.763 . 0 0 "[ . 1]" 1
253 1 17 A H2' 1 17 A H8 4.000 . 4.000 3.971 3.893 4.018 0.018 9 0 "[ . 1]" 1
254 1 17 A H3' 1 17 A H8 4.000 . 4.000 3.020 2.776 3.172 . 0 0 "[ . 1]" 1
255 1 17 A H1' 1 17 A H4' 4.000 . 4.000 3.413 3.353 3.529 . 0 0 "[ . 1]" 1
256 1 17 A H4' 1 17 A H8 5.000 3.000 5.000 4.304 4.142 4.378 . 0 0 "[ . 1]" 1
257 1 17 A H5' 1 17 A H8 5.000 3.000 5.000 3.567 3.393 3.694 . 0 0 "[ . 1]" 1
258 1 2 C H41 1 16 G H1 3.000 . 3.000 2.699 2.236 2.956 . 0 0 "[ . 1]" 1
259 1 3 G H1 1 15 C H41 3.000 . 3.000 2.806 2.246 3.030 0.030 2 0 "[ . 1]" 1
260 1 3 G H1 1 15 C H42 6.000 3.000 6.000 4.291 3.828 4.496 . 0 0 "[ . 1]" 1
261 1 4 G H1 1 14 C H41 3.000 . 3.000 2.714 2.376 3.006 0.006 2 0 "[ . 1]" 1
262 1 4 G H1 1 14 C H42 6.000 3.000 6.000 4.153 3.877 4.459 . 0 0 "[ . 1]" 1
263 1 5 G H1 1 13 C H41 3.000 . 3.000 2.578 2.088 3.008 0.008 3 0 "[ . 1]" 1
264 1 5 G H1 1 13 C H42 6.000 3.000 6.000 4.114 3.684 4.501 . 0 0 "[ . 1]" 1
265 1 3 G H1 1 4 G H1 5.500 2.500 5.500 4.072 3.511 4.968 . 0 0 "[ . 1]" 1
266 1 4 G H1 1 5 G H1 5.500 2.500 5.500 4.379 3.810 5.040 . 0 0 "[ . 1]" 1
267 1 3 G H1 1 16 G H1 5.500 2.500 5.500 3.990 3.642 5.000 . 0 0 "[ . 1]" 1
268 1 1 PSU HN3 1 2 C H5 6.000 3.000 6.000 5.149 4.193 5.800 . 0 0 "[ . 1]" 1
269 1 1 PSU HN3 1 17 A H61 5.000 . 5.000 3.524 2.610 4.558 . 0 0 "[ . 1]" 1
270 1 1 PSU HN3 1 17 A H62 6.000 3.000 6.000 4.950 4.124 6.005 0.005 4 0 "[ . 1]" 1
271 1 9 A H4' 1 10 U H6 5.000 5.000 17.000 5.023 4.935 5.172 0.065 3 0 "[ . 1]" 1
272 1 9 A H4' 1 10 U H5 5.000 5.000 17.000 5.157 4.981 5.322 0.019 10 0 "[ . 1]" 1
273 1 9 A H3' 1 10 U H6 5.000 5.000 17.000 4.739 4.703 4.778 0.297 7 0 "[ . 1]" 1
274 1 9 A H3' 1 10 U H5 5.000 5.000 17.000 6.132 5.965 6.234 . 0 0 "[ . 1]" 1
275 1 9 A H2' 1 10 U H5 5.200 5.200 17.200 5.187 5.152 5.287 0.048 1 0 "[ . 1]" 1
276 1 9 A H1' 1 10 U H6 5.000 5.000 17.000 5.141 4.976 5.642 0.024 5 0 "[ . 1]" 1
277 1 9 A H1' 1 10 U H2' 5.000 5.000 17.000 5.147 4.944 5.778 0.056 6 0 "[ . 1]" 1
278 1 9 A H2 1 10 U H2' 5.000 5.000 17.000 7.048 6.701 7.801 . 0 0 "[ . 1]" 1
279 1 9 A H2 1 10 U H3' 5.000 5.000 17.000 6.875 6.430 7.247 . 0 0 "[ . 1]" 1
280 1 7 C H1' 1 10 U H5 8.000 6.000 17.000 10.474 9.970 10.903 . 0 0 "[ . 1]" 1
281 1 7 C H1' 1 10 U H6 8.000 6.000 17.000 8.235 7.668 8.657 . 0 0 "[ . 1]" 1
282 1 7 C H5 1 10 U H5 8.000 6.000 17.000 12.046 11.178 13.173 . 0 0 "[ . 1]" 1
283 1 9 A H2 1 10 U H5 5.000 5.000 17.000 9.618 9.257 10.222 . 0 0 "[ . 1]" 1
284 1 7 C H2' 1 8 . H6 4.500 4.500 16.500 5.392 4.755 6.032 . 0 0 "[ . 1]" 1
285 1 7 C H1' 1 8 . H3' 5.000 5.000 17.000 6.281 6.044 6.418 . 0 0 "[ . 1]" 1
286 1 10 U H1' 1 11 A H3' 5.000 5.000 17.000 7.481 7.201 7.744 . 0 0 "[ . 1]" 1
287 1 10 U H1' 1 11 A H8 5.000 5.000 17.000 5.721 5.234 5.917 . 0 0 "[ . 1]" 1
288 1 11 A H2' 1 12 C H1' 5.200 5.200 17.200 5.124 5.105 5.147 0.095 6 0 "[ . 1]" 1
289 1 9 A H2' 1 11 A H8 4.000 4.000 16.000 4.235 3.985 4.482 0.015 4 0 "[ . 1]" 1
290 1 10 U H4' 1 11 A H8 4.000 4.000 16.000 4.904 4.667 5.357 . 0 0 "[ . 1]" 1
291 1 9 A H2' 1 11 A H1' 5.000 5.000 17.000 6.325 5.937 6.894 . 0 0 "[ . 1]" 1
292 1 7 C H1' 1 10 U H4' 5.000 5.000 17.000 5.566 4.996 6.303 0.004 9 0 "[ . 1]" 1
293 1 7 C H3' 1 8 . H5' 5.000 5.000 17.000 5.509 4.411 5.806 0.589 5 1 "[ + 1]" 1
294 1 7 C H4' 1 8 . H6 5.000 5.000 17.000 5.961 5.621 6.480 . 0 0 "[ . 1]" 1
295 1 10 U H3' 1 11 A H1' 5.000 5.000 17.000 5.433 5.060 5.948 . 0 0 "[ . 1]" 1
296 1 8 . H2' 1 9 A H1' 5.000 5.000 17.000 5.006 4.951 5.254 0.049 1 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 24
_Distance_constraint_stats_list.Viol_count 62
_Distance_constraint_stats_list.Viol_total 15.275
_Distance_constraint_stats_list.Viol_max 0.074
_Distance_constraint_stats_list.Viol_rms 0.0132
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0064
_Distance_constraint_stats_list.Viol_average_violations_only 0.0246
_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 2 C 0.262 0.042 2 0 "[ . 1]"
1 3 G 0.206 0.043 3 0 "[ . 1]"
1 4 G 0.417 0.051 2 0 "[ . 1]"
1 5 G 0.642 0.074 5 0 "[ . 1]"
1 13 C 0.642 0.074 5 0 "[ . 1]"
1 14 C 0.417 0.051 2 0 "[ . 1]"
1 15 C 0.206 0.043 3 0 "[ . 1]"
1 16 G 0.262 0.042 2 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 C N3 1 16 G H1 1.850 . 2.050 1.904 1.769 1.962 . 0 0 "[ . 1]" 2
2 1 2 C N3 1 16 G N1 2.910 2.660 3.160 2.892 2.754 2.942 . 0 0 "[ . 1]" 2
3 1 2 C O2 1 16 G H22 1.980 . 2.180 2.017 1.854 2.210 0.030 7 0 "[ . 1]" 2
4 1 2 C O2 1 16 G N2 2.900 2.650 3.150 2.970 2.857 3.162 0.012 1 0 "[ . 1]" 2
5 1 2 C H41 1 16 G O6 1.670 . 1.870 1.891 1.867 1.912 0.042 2 0 "[ . 1]" 2
6 1 2 C N4 1 16 G O6 2.900 2.650 3.150 2.869 2.825 2.886 . 0 0 "[ . 1]" 2
7 1 3 G H1 1 15 C N3 1.850 . 2.050 1.955 1.857 2.061 0.011 7 0 "[ . 1]" 2
8 1 3 G N1 1 15 C N3 2.910 2.660 3.160 2.935 2.864 3.031 . 0 0 "[ . 1]" 2
9 1 3 G H22 1 15 C O2 1.980 . 2.180 1.996 1.845 2.157 . 0 0 "[ . 1]" 2
10 1 3 G N2 1 15 C O2 2.900 2.650 3.150 2.968 2.826 3.067 . 0 0 "[ . 1]" 2
11 1 3 G O6 1 15 C H41 1.670 . 1.870 1.888 1.861 1.913 0.043 3 0 "[ . 1]" 2
12 1 3 G O6 1 15 C N4 2.900 2.650 3.150 2.852 2.790 2.878 . 0 0 "[ . 1]" 2
13 1 4 G H1 1 14 C N3 1.850 . 2.050 1.891 1.757 1.988 . 0 0 "[ . 1]" 2
14 1 4 G N1 1 14 C N3 2.910 2.660 3.160 2.858 2.756 2.930 . 0 0 "[ . 1]" 2
15 1 4 G H22 1 14 C O2 1.980 . 2.180 2.061 1.819 2.200 0.020 9 0 "[ . 1]" 2
16 1 4 G N2 1 14 C O2 2.900 2.650 3.150 2.975 2.822 3.082 . 0 0 "[ . 1]" 2
17 1 4 G O6 1 14 C H41 1.670 . 1.870 1.905 1.891 1.921 0.051 2 0 "[ . 1]" 2
18 1 4 G O6 1 14 C N4 2.900 2.650 3.150 2.879 2.845 2.903 . 0 0 "[ . 1]" 2
19 1 5 G H1 1 13 C N3 1.850 . 2.050 2.080 2.034 2.124 0.074 5 0 "[ . 1]" 2
20 1 5 G N1 1 13 C N3 2.910 2.660 3.160 3.019 2.969 3.059 . 0 0 "[ . 1]" 2
21 1 5 G H22 1 13 C O2 1.980 . 2.180 2.152 2.048 2.194 0.014 1 0 "[ . 1]" 2
22 1 5 G N2 1 13 C O2 2.900 2.650 3.150 3.124 3.026 3.187 0.037 1 0 "[ . 1]" 2
23 1 5 G O6 1 13 C H41 1.670 . 1.870 1.882 1.814 1.928 0.058 6 0 "[ . 1]" 2
24 1 5 G O6 1 13 C N4 2.900 2.650 3.150 2.856 2.793 2.908 . 0 0 "[ . 1]" 2
stop_
save_
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