NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
384450 |
1kka   |
5256 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1kka
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 294
_Distance_constraint_stats_list.Viol_count 322
_Distance_constraint_stats_list.Viol_total 171.120
_Distance_constraint_stats_list.Viol_max 0.241
_Distance_constraint_stats_list.Viol_rms 0.0304
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0091
_Distance_constraint_stats_list.Viol_average_violations_only 0.0664
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 G 0.525 0.075 6 0 "[ . ]"
1 2 G 1.768 0.095 7 0 "[ . ]"
1 3 G 1.050 0.095 7 0 "[ . ]"
1 4 G 0.855 0.085 8 0 "[ . ]"
1 5 A 2.038 0.123 5 0 "[ . ]"
1 6 U 1.382 0.083 3 0 "[ . ]"
1 7 U 4.171 0.241 5 0 "[ . ]"
1 8 G 2.162 0.167 8 0 "[ . ]"
1 9 A 6.279 0.241 5 0 "[ . ]"
1 10 A 9.911 0.237 5 0 "[ . ]"
1 11 A 4.192 0.167 8 0 "[ . ]"
1 12 A 1.838 0.122 6 0 "[ . ]"
1 13 U 1.082 0.113 5 0 "[ . ]"
1 14 C 1.386 0.123 5 0 "[ . ]"
1 15 C 0.115 0.059 8 0 "[ . ]"
1 16 C 0.814 0.114 6 0 "[ . ]"
1 17 C 0.946 0.114 6 0 "[ . ]"
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 13 U H6 1 14 C H41 7.000 . 7.000 7.008 6.852 7.064 0.064 3 0 "[ . ]" 1
2 1 5 A H1' 1 14 C H42 7.000 . 7.000 7.086 7.055 7.123 0.123 5 0 "[ . ]" 1
3 1 5 A H1' 1 14 C H41 7.000 . 7.000 5.483 5.413 5.594 . 0 0 "[ . ]" 1
4 1 14 C H5 1 15 C H42 7.000 . 7.000 4.437 3.750 5.845 . 0 0 "[ . ]" 1
5 1 16 C H42 1 17 C H41 6.000 . 6.000 4.190 3.547 4.330 . 0 0 "[ . ]" 1
6 1 16 C H42 1 17 C H6 7.000 . 7.000 5.770 5.309 6.800 . 0 0 "[ . ]" 1
7 1 5 A H1' 1 5 A H62 7.000 . 7.000 6.618 6.609 6.628 . 0 0 "[ . ]" 1
8 1 2 G H1 1 17 C H41 5.000 . 5.000 4.431 4.140 4.669 . 0 0 "[ . ]" 1
9 1 2 G H1 1 17 C H42 5.000 . 5.000 5.010 4.912 5.035 0.035 6 0 "[ . ]" 1
10 1 2 G H1 1 16 C H41 4.000 . 4.000 2.354 2.256 2.424 . 0 0 "[ . ]" 1
11 1 2 G H1 1 16 C H42 4.000 . 4.000 3.933 3.783 4.023 0.023 3 0 "[ . ]" 1
12 1 2 G H1 1 15 C H42 7.000 . 7.000 6.288 5.762 6.980 . 0 0 "[ . ]" 1
13 1 3 G H1 1 16 C H42 6.000 . 6.000 3.807 2.337 5.058 . 0 0 "[ . ]" 1
14 1 3 G H1 1 15 C H41 4.000 . 4.000 2.339 2.017 2.481 . 0 0 "[ . ]" 1
15 1 3 G H1 1 15 C H42 4.000 . 4.000 3.893 3.418 4.019 0.019 3 0 "[ . ]" 1
16 1 4 G H1 1 15 C H41 5.000 . 5.000 3.051 2.664 4.209 . 0 0 "[ . ]" 1
17 1 4 G H1 1 15 C H42 6.000 . 6.000 3.431 2.200 4.897 . 0 0 "[ . ]" 1
18 1 4 G H1 1 14 C H41 4.000 . 4.000 2.099 1.754 2.342 . 0 0 "[ . ]" 1
19 1 4 G H1 1 14 C H42 4.000 . 4.000 3.630 3.248 3.826 . 0 0 "[ . ]" 1
20 1 4 G H1 1 5 A H62 7.000 . 7.000 5.597 5.216 6.028 . 0 0 "[ . ]" 1
21 1 4 G H1 1 5 A H61 6.000 . 6.000 5.550 5.139 5.995 . 0 0 "[ . ]" 1
22 1 2 G H1 1 3 G H1 6.000 . 6.000 5.154 4.405 5.638 . 0 0 "[ . ]" 1
23 1 3 G H1 1 4 G H1 5.000 . 5.000 4.129 3.392 5.019 0.019 7 0 "[ . ]" 1
24 1 4 G H1 1 13 U H3 7.000 . 7.000 5.731 5.018 6.393 . 0 0 "[ . ]" 1
25 1 2 G H1 1 16 C H6 7.000 . 7.000 5.919 5.648 6.036 . 0 0 "[ . ]" 1
26 1 2 G H1 1 17 C H6 6.000 . 6.000 5.638 5.322 5.951 . 0 0 "[ . ]" 1
27 1 2 G H1 1 3 G H8 6.000 . 6.000 5.492 4.880 5.978 . 0 0 "[ . ]" 1
28 1 3 G H1 1 16 C H6 7.000 . 7.000 6.493 6.111 6.906 . 0 0 "[ . ]" 1
29 1 3 G H1 1 4 G H8 7.000 . 7.000 5.840 5.238 6.319 . 0 0 "[ . ]" 1
30 1 4 G H1 1 14 C H6 7.000 . 7.000 5.862 5.747 5.928 . 0 0 "[ . ]" 1
31 1 4 G H1 1 5 A H2 6.000 . 6.000 4.066 3.511 4.446 . 0 0 "[ . ]" 1
32 1 4 G H1 1 5 A H8 7.000 . 7.000 5.618 5.346 5.891 . 0 0 "[ . ]" 1
33 1 2 G H1 1 16 C H2' 6.000 . 6.000 5.738 5.320 5.973 . 0 0 "[ . ]" 1
34 1 2 G H1 1 17 C H1' 6.000 . 6.000 5.030 4.666 5.718 . 0 0 "[ . ]" 1
35 1 2 G H1 1 3 G H1' 6.000 . 6.000 5.923 4.993 6.095 0.095 7 0 "[ . ]" 1
36 1 2 G H1 1 2 G H1' 6.000 . 6.000 6.047 5.954 6.090 0.090 6 0 "[ . ]" 1
37 1 3 G H1 1 4 G H1' 5.000 . 5.000 4.943 4.548 5.085 0.085 8 0 "[ . ]" 1
38 1 3 G H1 1 3 G H1' 7.000 . 7.000 6.082 5.990 6.236 . 0 0 "[ . ]" 1
39 1 3 G H1 1 5 A H1' 7.000 . 7.000 6.734 6.500 7.054 0.054 8 0 "[ . ]" 1
40 1 4 G H1 1 14 C H5 5.000 . 5.000 4.897 4.622 4.992 . 0 0 "[ . ]" 1
41 1 4 G H1 1 14 C H1' 7.000 . 7.000 5.820 5.605 6.012 . 0 0 "[ . ]" 1
42 1 4 G H1 1 4 G H1' 7.000 . 7.000 6.017 5.989 6.074 . 0 0 "[ . ]" 1
43 1 4 G H1 1 5 A H1' 5.000 . 5.000 4.166 4.052 4.295 . 0 0 "[ . ]" 1
44 1 5 A H61 1 13 U H3 5.000 . 5.000 2.788 2.267 3.187 . 0 0 "[ . ]" 1
45 1 13 U H3 1 14 C H42 7.000 . 7.000 3.754 3.054 4.398 . 0 0 "[ . ]" 1
46 1 13 U H3 1 14 C H6 7.000 . 7.000 6.056 5.627 6.392 . 0 0 "[ . ]" 1
47 1 5 A H2 1 13 U H3 4.000 . 4.000 2.914 2.538 3.294 . 0 0 "[ . ]" 1
48 1 5 A H62 1 13 U H3 5.000 . 5.000 4.272 3.842 4.655 . 0 0 "[ . ]" 1
49 1 13 U H3 1 14 C H41 7.000 . 7.000 4.110 3.644 4.666 . 0 0 "[ . ]" 1
50 1 6 U H3 1 12 A H2 4.000 . 4.000 3.222 2.988 3.433 . 0 0 "[ . ]" 1
51 1 1 G H8 1 2 G H8 6.000 . 6.000 5.299 4.037 5.976 . 0 0 "[ . ]" 1
52 1 2 G H8 1 3 G H8 6.000 . 6.000 4.705 3.732 5.483 . 0 0 "[ . ]" 1
53 1 3 G H8 1 4 G H8 7.000 . 7.000 4.785 3.788 5.580 . 0 0 "[ . ]" 1
54 1 4 G H8 1 5 A H8 6.000 . 6.000 4.384 4.066 4.947 . 0 0 "[ . ]" 1
55 1 5 A H8 1 6 U H6 6.000 . 6.000 4.475 3.965 4.821 . 0 0 "[ . ]" 1
56 1 7 U H6 1 8 G H8 6.000 . 6.000 5.609 4.960 5.897 . 0 0 "[ . ]" 1
57 1 8 G H8 1 9 A H8 7.000 . 7.000 6.151 6.100 6.186 . 0 0 "[ . ]" 1
58 1 9 A H2 1 10 A H8 7.000 . 7.000 3.941 3.881 3.989 . 0 0 "[ . ]" 1
59 1 10 A H2 1 11 A H2 7.000 . 7.000 5.408 5.006 5.881 . 0 0 "[ . ]" 1
60 1 10 A H2 1 11 A H8 8.000 . 8.000 7.997 7.908 8.075 0.075 8 0 "[ . ]" 1
61 1 10 A H8 1 11 A H8 6.000 . 6.000 3.823 3.447 4.395 . 0 0 "[ . ]" 1
62 1 11 A H8 1 12 A H8 6.000 . 6.000 6.018 5.919 6.065 0.065 2 0 "[ . ]" 1
63 1 11 A H2 1 12 A H2 6.000 . 6.000 3.383 3.157 3.798 . 0 0 "[ . ]" 1
64 1 12 A H8 1 13 U H6 7.000 . 7.000 5.279 4.490 5.667 . 0 0 "[ . ]" 1
65 1 13 U H6 1 14 C H6 7.000 . 7.000 5.850 5.575 6.226 . 0 0 "[ . ]" 1
66 1 16 C H6 1 17 C H6 7.000 . 7.000 4.408 3.876 4.984 . 0 0 "[ . ]" 1
67 1 1 G H1' 1 2 G H8 5.000 . 5.000 5.019 4.869 5.075 0.075 6 0 "[ . ]" 1
68 1 1 G H1' 1 1 G H8 5.000 . 5.000 3.723 3.586 3.869 . 0 0 "[ . ]" 1
69 1 2 G H1' 1 2 G H8 5.000 . 5.000 3.773 3.730 3.870 . 0 0 "[ . ]" 1
70 1 2 G H1' 1 3 G H8 5.000 . 5.000 5.005 4.920 5.053 0.053 1 0 "[ . ]" 1
71 1 3 G H1' 1 3 G H8 5.000 . 5.000 3.746 3.605 3.826 . 0 0 "[ . ]" 1
72 1 3 G H1' 1 4 G H8 6.000 . 6.000 5.933 5.757 6.032 0.032 2 0 "[ . ]" 1
73 1 4 G H1' 1 4 G H8 5.000 . 5.000 3.789 3.733 3.810 . 0 0 "[ . ]" 1
74 1 4 G H1' 1 5 A H8 6.000 . 6.000 5.408 5.293 5.576 . 0 0 "[ . ]" 1
75 1 5 A H1' 1 5 A H8 5.000 . 5.000 3.673 3.623 3.701 . 0 0 "[ . ]" 1
76 1 4 G H8 1 5 A H1' 8.000 . 8.000 6.369 6.124 6.639 . 0 0 "[ . ]" 1
77 1 5 A H1' 1 5 A H2 6.000 . 6.000 4.858 4.807 4.940 . 0 0 "[ . ]" 1
78 1 5 A H1' 1 6 U H6 5.000 . 5.000 5.054 5.035 5.070 0.070 2 0 "[ . ]" 1
79 1 5 A H8 1 6 U H5 6.000 . 6.000 4.791 4.141 5.186 . 0 0 "[ . ]" 1
80 1 6 U H5 1 7 U H6 7.000 . 7.000 6.458 5.978 6.780 . 0 0 "[ . ]" 1
81 1 6 U H1' 1 6 U H6 5.000 . 5.000 3.267 3.168 3.339 . 0 0 "[ . ]" 1
82 1 6 U H1' 1 7 U H6 5.000 . 5.000 5.041 5.018 5.061 0.061 2 0 "[ . ]" 1
83 1 5 A H2 1 6 U H1' 4.000 . 4.000 2.817 2.626 3.038 . 0 0 "[ . ]" 1
84 1 6 U H6 1 7 U H5 7.000 . 7.000 5.487 4.934 5.948 . 0 0 "[ . ]" 1
85 1 7 U H5 1 8 G H8 7.000 . 7.000 6.641 5.897 7.008 0.008 4 0 "[ . ]" 1
86 1 7 U H1' 1 7 U H6 5.000 . 5.000 3.474 3.429 3.514 . 0 0 "[ . ]" 1
87 1 7 U H1' 1 8 G H8 6.000 . 6.000 5.820 5.516 6.006 0.006 1 0 "[ . ]" 1
88 1 7 U H1' 1 9 A H8 6.000 . 6.000 6.224 6.203 6.241 0.241 5 0 "[ . ]" 1
89 1 7 U H1' 1 12 A H2 4.000 . 4.000 2.985 2.735 3.414 . 0 0 "[ . ]" 1
90 1 8 G H1' 1 9 A H8 4.000 . 4.000 2.417 2.327 2.551 . 0 0 "[ . ]" 1
91 1 8 G H1' 1 8 G H8 4.000 . 4.000 3.894 3.886 3.900 . 0 0 "[ . ]" 1
92 1 8 G H1' 1 10 A H2 7.000 . 7.000 7.017 6.957 7.056 0.056 7 0 "[ . ]" 1
93 1 8 G H1' 1 11 A H2 6.000 . 6.000 6.141 6.133 6.167 0.167 8 0 "[ . ]" 1
94 1 9 A H1' 1 9 A H8 5.000 . 5.000 3.922 3.895 3.933 . 0 0 "[ . ]" 1
95 1 9 A H1' 1 10 A H8 5.000 . 5.000 2.788 2.671 2.861 . 0 0 "[ . ]" 1
96 1 9 A H1' 1 9 A H2 6.000 . 6.000 4.404 4.388 4.433 . 0 0 "[ . ]" 1
97 1 9 A H1' 1 10 A H2 7.000 . 7.000 6.991 6.808 7.039 0.039 3 0 "[ . ]" 1
98 1 10 A H1' 1 10 A H2 6.000 . 6.000 5.025 4.973 5.069 . 0 0 "[ . ]" 1
99 1 10 A H1' 1 10 A H8 4.000 . 4.000 3.578 3.550 3.613 . 0 0 "[ . ]" 1
100 1 10 A H1' 1 11 A H8 5.000 . 5.000 3.637 3.543 3.722 . 0 0 "[ . ]" 1
101 1 9 A H2 1 10 A H1' 7.000 . 7.000 7.164 7.155 7.180 0.180 2 0 "[ . ]" 1
102 1 10 A H1' 1 11 A H2 7.000 . 7.000 6.116 5.668 6.452 . 0 0 "[ . ]" 1
103 1 11 A H1' 1 11 A H8 5.000 . 5.000 3.869 3.845 3.894 . 0 0 "[ . ]" 1
104 1 11 A H1' 1 12 A H8 5.000 . 5.000 4.234 3.840 4.666 . 0 0 "[ . ]" 1
105 1 10 A H2 1 11 A H1' 5.000 . 5.000 5.070 5.023 5.113 0.113 6 0 "[ . ]" 1
106 1 10 A H8 1 11 A H1' 8.000 . 8.000 4.994 4.723 5.299 . 0 0 "[ . ]" 1
107 1 12 A H1' 1 12 A H8 5.000 . 5.000 3.663 3.616 3.694 . 0 0 "[ . ]" 1
108 1 10 A H8 1 12 A H1' 7.000 . 7.000 7.084 7.049 7.122 0.122 6 0 "[ . ]" 1
109 1 10 A H2 1 12 A H1' 6.000 . 6.000 5.011 4.596 5.799 . 0 0 "[ . ]" 1
110 1 12 A H1' 1 13 U H6 5.000 . 5.000 5.092 5.061 5.113 0.113 5 0 "[ . ]" 1
111 1 11 A H2 1 12 A H1' 4.000 . 4.000 3.924 3.838 4.003 0.003 5 0 "[ . ]" 1
112 1 12 A H8 1 13 U H5 6.000 . 6.000 4.709 4.227 4.977 . 0 0 "[ . ]" 1
113 1 13 U H1' 1 13 U H6 5.000 . 5.000 3.545 3.414 3.644 . 0 0 "[ . ]" 1
114 1 13 U H1' 1 14 C H6 6.000 . 6.000 5.574 5.472 5.796 . 0 0 "[ . ]" 1
115 1 12 A H2 1 13 U H1' 4.000 . 4.000 3.636 3.446 4.036 0.036 6 0 "[ . ]" 1
116 1 13 U H6 1 14 C H5 6.000 . 6.000 4.649 4.435 5.326 . 0 0 "[ . ]" 1
117 1 14 C H1' 1 15 C H6 6.000 . 6.000 5.661 5.415 6.059 0.059 8 0 "[ . ]" 1
118 1 14 C H1' 1 14 C H6 5.000 . 5.000 3.617 3.548 3.645 . 0 0 "[ . ]" 1
119 1 5 A H2 1 14 C H1' 5.000 . 5.000 5.044 5.014 5.086 0.086 5 0 "[ . ]" 1
120 1 16 C H1' 1 17 C H6 5.000 . 5.000 4.924 4.781 5.025 0.025 7 0 "[ . ]" 1
121 1 17 C H1' 1 17 C H6 5.000 . 5.000 3.545 3.469 3.677 . 0 0 "[ . ]" 1
122 1 1 G H2' 1 1 G H8 5.000 . 5.000 3.814 3.372 4.271 . 0 0 "[ . ]" 1
123 1 2 G H2' 1 2 G H8 6.000 . 6.000 3.883 3.519 4.047 . 0 0 "[ . ]" 1
124 1 2 G H2' 1 3 G H8 4.000 . 4.000 2.557 2.322 3.056 . 0 0 "[ . ]" 1
125 1 3 G H2' 1 4 G H8 4.000 . 4.000 3.593 3.208 3.753 . 0 0 "[ . ]" 1
126 1 4 G H2' 1 4 G H8 6.000 . 6.000 3.826 3.741 3.987 . 0 0 "[ . ]" 1
127 1 4 G H2' 1 5 A H8 3.000 . 3.000 3.063 3.042 3.080 0.080 5 0 "[ . ]" 1
128 1 5 A H2' 1 5 A H8 6.000 . 6.000 4.120 4.059 4.204 . 0 0 "[ . ]" 1
129 1 5 A H2' 1 6 U H6 4.000 . 4.000 2.756 2.613 3.021 . 0 0 "[ . ]" 1
130 1 5 A H2 1 6 U H2' 7.000 . 7.000 5.107 4.902 5.518 . 0 0 "[ . ]" 1
131 1 6 U H2' 1 12 A H2 7.000 . 7.000 4.335 4.086 4.536 . 0 0 "[ . ]" 1
132 1 6 U H2' 1 6 U H6 5.000 . 5.000 4.335 4.269 4.421 . 0 0 "[ . ]" 1
133 1 6 U H2' 1 7 U H6 4.000 . 4.000 2.372 2.318 2.461 . 0 0 "[ . ]" 1
134 1 7 U H2' 1 7 U H6 4.000 . 4.000 4.016 3.845 4.107 0.107 2 0 "[ . ]" 1
135 1 7 U H2' 1 8 G H8 6.000 . 6.000 3.172 2.770 3.424 . 0 0 "[ . ]" 1
136 1 7 U H2' 1 9 A H8 6.000 . 6.000 4.853 4.672 5.161 . 0 0 "[ . ]" 1
137 1 7 U H2' 1 10 A H2 6.000 . 6.000 6.149 6.085 6.192 0.192 8 0 "[ . ]" 1
138 1 8 G H2' 1 8 G H8 3.000 . 3.000 2.823 2.757 2.910 . 0 0 "[ . ]" 1
139 1 8 G H2' 1 9 A H8 6.000 . 6.000 4.763 4.724 4.820 . 0 0 "[ . ]" 1
140 1 9 A H2' 1 9 A H8 3.000 . 3.000 2.811 2.754 2.976 . 0 0 "[ . ]" 1
141 1 9 A H2' 1 10 A H8 6.000 . 6.000 5.229 5.203 5.252 . 0 0 "[ . ]" 1
142 1 10 A H2' 1 10 A H8 3.000 . 3.000 2.204 2.096 2.312 . 0 0 "[ . ]" 1
143 1 10 A H2' 1 11 A H8 6.000 . 6.000 3.977 3.763 4.442 . 0 0 "[ . ]" 1
144 1 11 A H2' 1 11 A H8 3.000 . 3.000 2.881 2.664 3.051 0.051 6 0 "[ . ]" 1
145 1 11 A H2' 1 12 A H8 4.000 . 4.000 3.361 3.069 3.705 . 0 0 "[ . ]" 1
146 1 12 A H2' 1 12 A H8 5.000 . 5.000 4.153 4.083 4.245 . 0 0 "[ . ]" 1
147 1 12 A H2' 1 13 U H6 5.000 . 5.000 2.421 2.304 2.690 . 0 0 "[ . ]" 1
148 1 13 U H2' 1 13 U H6 5.000 . 5.000 3.915 3.685 4.164 . 0 0 "[ . ]" 1
149 1 13 U H2' 1 14 C H6 3.000 . 3.000 2.825 2.725 3.058 0.058 8 0 "[ . ]" 1
150 1 14 C H2' 1 15 C H6 4.000 . 4.000 2.919 2.683 3.356 . 0 0 "[ . ]" 1
151 1 15 C H2' 1 16 C H6 5.000 . 5.000 2.996 2.546 4.131 . 0 0 "[ . ]" 1
152 1 16 C H2' 1 16 C H6 5.000 . 5.000 3.469 3.280 3.601 . 0 0 "[ . ]" 1
153 1 16 C H2' 1 17 C H6 3.000 . 3.000 2.430 2.165 2.596 . 0 0 "[ . ]" 1
154 1 17 C H2' 1 17 C H6 5.000 . 5.000 3.931 3.592 4.092 . 0 0 "[ . ]" 1
155 1 2 G H3' 1 2 G H8 5.000 . 5.000 3.022 2.634 3.226 . 0 0 "[ . ]" 1
156 1 2 G H3' 1 3 G H8 5.000 . 5.000 3.489 2.916 4.091 . 0 0 "[ . ]" 1
157 1 3 G H3' 1 3 G H8 6.000 . 6.000 3.088 2.780 3.629 . 0 0 "[ . ]" 1
158 1 4 G H3' 1 4 G H8 5.000 . 5.000 3.043 2.949 3.312 . 0 0 "[ . ]" 1
159 1 4 G H3' 1 5 A H8 5.000 . 5.000 3.626 3.451 3.915 . 0 0 "[ . ]" 1
160 1 5 A H3' 1 5 A H8 6.000 . 6.000 3.384 3.262 3.550 . 0 0 "[ . ]" 1
161 1 5 A H3' 1 6 U H6 5.000 . 5.000 3.134 2.853 3.463 . 0 0 "[ . ]" 1
162 1 6 U H3' 1 6 U H6 4.000 . 4.000 3.895 3.761 4.054 0.054 2 0 "[ . ]" 1
163 1 6 U H3' 1 7 U H6 6.000 . 6.000 3.355 3.160 3.522 . 0 0 "[ . ]" 1
164 1 7 U H3' 1 7 U H6 5.000 . 5.000 3.759 3.506 4.176 . 0 0 "[ . ]" 1
165 1 7 U H3' 1 8 G H8 5.000 . 5.000 2.665 2.578 2.811 . 0 0 "[ . ]" 1
166 1 8 G H3' 1 9 A H8 6.000 . 6.000 4.577 4.421 4.655 . 0 0 "[ . ]" 1
167 1 8 G H3' 1 8 G H8 5.000 . 5.000 4.450 4.416 4.523 . 0 0 "[ . ]" 1
168 1 9 A H3' 1 9 A H8 5.000 . 5.000 4.518 4.486 4.592 . 0 0 "[ . ]" 1
169 1 9 A H3' 1 10 A H8 6.000 . 6.000 6.219 6.211 6.237 0.237 5 0 "[ . ]" 1
170 1 10 A H3' 1 10 A H8 5.000 . 5.000 4.536 4.432 4.626 . 0 0 "[ . ]" 1
171 1 10 A H2 1 10 A H3' 8.000 . 8.000 8.108 8.092 8.138 0.138 2 0 "[ . ]" 1
172 1 11 A H3' 1 11 A H8 4.000 . 4.000 4.028 3.895 4.069 0.069 8 0 "[ . ]" 1
173 1 11 A H3' 1 12 A H8 5.000 . 5.000 4.540 4.238 4.906 . 0 0 "[ . ]" 1
174 1 12 A H3' 1 12 A H8 6.000 . 6.000 3.451 3.347 3.554 . 0 0 "[ . ]" 1
175 1 12 A H3' 1 13 U H6 5.000 . 5.000 2.952 2.658 3.262 . 0 0 "[ . ]" 1
176 1 13 U H3' 1 13 U H6 5.000 . 5.000 3.091 2.771 3.542 . 0 0 "[ . ]" 1
177 1 16 C H3' 1 16 C H6 5.000 . 5.000 2.513 2.307 2.693 . 0 0 "[ . ]" 1
178 1 16 C H3' 1 17 C H6 7.000 . 7.000 3.555 3.366 3.720 . 0 0 "[ . ]" 1
179 1 17 C H3' 1 17 C H6 5.000 . 5.000 3.150 2.692 3.400 . 0 0 "[ . ]" 1
180 1 2 G H4' 1 2 G H8 7.000 . 7.000 4.426 4.376 4.477 . 0 0 "[ . ]" 1
181 1 3 G H4' 1 3 G H8 7.000 . 7.000 4.443 4.397 4.500 . 0 0 "[ . ]" 1
182 1 4 G H4' 1 4 G H8 6.000 . 6.000 4.439 4.414 4.464 . 0 0 "[ . ]" 1
183 1 4 G H4' 1 5 A H8 7.000 . 7.000 6.380 6.280 6.557 . 0 0 "[ . ]" 1
184 1 5 A H4' 1 5 A H8 7.000 . 7.000 4.437 4.401 4.465 . 0 0 "[ . ]" 1
185 1 5 A H4' 1 6 U H6 7.000 . 7.000 5.923 5.740 6.111 . 0 0 "[ . ]" 1
186 1 6 U H4' 1 6 U H6 5.000 . 5.000 4.338 4.282 4.396 . 0 0 "[ . ]" 1
187 1 7 U H4' 1 7 U H6 6.000 . 6.000 4.152 4.118 4.238 . 0 0 "[ . ]" 1
188 1 7 U H4' 1 8 G H8 7.000 . 7.000 5.501 5.336 5.711 . 0 0 "[ . ]" 1
189 1 8 G H4' 1 9 A H8 6.000 . 6.000 3.922 3.720 3.978 . 0 0 "[ . ]" 1
190 1 8 G H4' 1 8 G H8 7.000 . 7.000 4.521 4.498 4.551 . 0 0 "[ . ]" 1
191 1 8 G H4' 1 10 A H2 6.000 . 6.000 4.632 4.589 4.705 . 0 0 "[ . ]" 1
192 1 9 A H4' 1 9 A H8 6.000 . 6.000 4.619 4.530 4.661 . 0 0 "[ . ]" 1
193 1 9 A H4' 1 10 A H8 6.000 . 6.000 4.889 4.840 5.021 . 0 0 "[ . ]" 1
194 1 9 A H4' 1 10 A H2 6.000 . 6.000 4.677 4.575 4.813 . 0 0 "[ . ]" 1
195 1 10 A H4' 1 10 A H8 6.000 . 6.000 5.590 5.546 5.634 . 0 0 "[ . ]" 1
196 1 10 A H4' 1 11 A H8 6.000 . 6.000 6.082 6.014 6.147 0.147 6 0 "[ . ]" 1
197 1 10 A H8 1 11 A H4' 7.000 . 7.000 6.605 6.344 7.001 0.001 8 0 "[ . ]" 1
198 1 11 A H4' 1 11 A H8 6.000 . 6.000 4.641 4.414 4.874 . 0 0 "[ . ]" 1
199 1 11 A H4' 1 12 A H8 6.000 . 6.000 5.928 5.293 6.059 0.059 3 0 "[ . ]" 1
200 1 12 A H4' 1 12 A H8 6.000 . 6.000 4.475 4.442 4.498 . 0 0 "[ . ]" 1
201 1 12 A H4' 1 13 U H6 7.000 . 7.000 5.511 5.283 5.809 . 0 0 "[ . ]" 1
202 1 13 U H4' 1 13 U H6 6.000 . 6.000 4.149 4.111 4.214 . 0 0 "[ . ]" 1
203 1 16 C H4' 1 16 C H6 7.000 . 7.000 4.112 4.083 4.131 . 0 0 "[ . ]" 1
204 1 17 C H4' 1 17 C H6 5.000 . 5.000 4.165 4.139 4.195 . 0 0 "[ . ]" 1
205 1 1 G H5' 1 1 G H8 5.000 . 5.000 3.638 2.606 4.475 . 0 0 "[ . ]" 1
206 1 1 G H5'' 1 1 G H8 5.000 . 5.000 3.131 2.507 4.449 . 0 0 "[ . ]" 1
207 1 1 G H5' 1 2 G H8 6.000 . 6.000 5.826 4.455 6.037 0.037 8 0 "[ . ]" 1
208 1 1 G H5'' 1 2 G H8 6.000 . 6.000 5.996 5.876 6.025 0.025 8 0 "[ . ]" 1
209 1 2 G H5' 1 2 G H8 6.000 . 6.000 3.979 3.300 4.350 . 0 0 "[ . ]" 1
210 1 2 G H5'' 1 2 G H8 6.000 . 6.000 3.334 2.563 4.595 . 0 0 "[ . ]" 1
211 1 3 G H5' 1 3 G H8 6.000 . 6.000 3.925 3.458 4.393 . 0 0 "[ . ]" 1
212 1 3 G H5'' 1 3 G H8 6.000 . 6.000 4.023 2.740 4.544 . 0 0 "[ . ]" 1
213 1 4 G H5' 1 4 G H8 5.000 . 5.000 4.236 3.923 4.560 . 0 0 "[ . ]" 1
214 1 4 G H5'' 1 4 G H8 5.000 . 5.000 3.042 2.604 4.003 . 0 0 "[ . ]" 1
215 1 5 A H5' 1 5 A H8 6.000 . 6.000 4.301 4.105 4.595 . 0 0 "[ . ]" 1
216 1 5 A H5'' 1 5 A H8 6.000 . 6.000 2.868 2.558 3.623 . 0 0 "[ . ]" 1
217 1 6 U H5' 1 6 U H6 6.000 . 6.000 4.607 4.435 4.782 . 0 0 "[ . ]" 1
218 1 6 U H5'' 1 6 U H6 6.000 . 6.000 3.019 2.845 3.197 . 0 0 "[ . ]" 1
219 1 7 U H5' 1 7 U H6 6.000 . 6.000 3.614 3.462 3.834 . 0 0 "[ . ]" 1
220 1 7 U H5'' 1 7 U H6 6.000 . 6.000 4.194 4.086 4.405 . 0 0 "[ . ]" 1
221 1 7 U H5'' 1 8 G H8 7.000 . 7.000 4.656 4.454 4.832 . 0 0 "[ . ]" 1
222 1 7 U H5' 1 8 G H8 7.000 . 7.000 6.051 5.997 6.140 . 0 0 "[ . ]" 1
223 1 8 G H5' 1 8 G H8 5.000 . 5.000 3.943 3.766 4.036 . 0 0 "[ . ]" 1
224 1 8 G H5'' 1 8 G H8 5.000 . 5.000 3.327 2.177 3.767 . 0 0 "[ . ]" 1
225 1 8 G H5' 1 10 A H2 7.000 . 7.000 6.120 5.757 7.010 0.010 5 0 "[ . ]" 1
226 1 8 G H5'' 1 10 A H2 7.000 . 7.000 7.069 7.046 7.130 0.130 6 0 "[ . ]" 1
227 1 8 G H5' 1 9 A H8 6.000 . 6.000 5.988 5.773 6.046 0.046 8 0 "[ . ]" 1
228 1 8 G H5'' 1 9 A H8 6.000 . 6.000 5.964 5.818 6.017 0.017 8 0 "[ . ]" 1
229 1 9 A H5' 1 9 A H8 6.000 . 6.000 2.386 2.344 2.477 . 0 0 "[ . ]" 1
230 1 9 A H5'' 1 9 A H8 6.000 . 6.000 4.140 4.092 4.223 . 0 0 "[ . ]" 1
231 1 9 A H5' 1 10 A H2 6.000 . 6.000 4.471 4.209 4.625 . 0 0 "[ . ]" 1
232 1 9 A H5'' 1 10 A H2 6.000 . 6.000 3.855 3.621 4.201 . 0 0 "[ . ]" 1
233 1 9 A H5' 1 10 A H8 7.000 . 7.000 5.198 5.115 5.347 . 0 0 "[ . ]" 1
234 1 9 A H5'' 1 10 A H8 7.000 . 7.000 6.072 5.894 6.334 . 0 0 "[ . ]" 1
235 1 10 A H5'' 1 10 A H8 6.000 . 6.000 4.387 4.304 4.524 . 0 0 "[ . ]" 1
236 1 10 A H5' 1 10 A H8 6.000 . 6.000 5.859 5.789 5.964 . 0 0 "[ . ]" 1
237 1 9 A H8 1 10 A H5' 8.000 . 8.000 8.057 8.040 8.084 0.084 5 0 "[ . ]" 1
238 1 9 A H8 1 10 A H5'' 8.000 . 8.000 6.348 6.328 6.364 . 0 0 "[ . ]" 1
239 1 10 A H5' 1 11 A H8 7.000 . 7.000 7.101 7.081 7.131 0.131 8 0 "[ . ]" 1
240 1 10 A H5'' 1 11 A H8 7.000 . 7.000 6.431 6.293 6.621 . 0 0 "[ . ]" 1
241 1 11 A H5' 1 11 A H8 5.000 . 5.000 4.221 3.514 4.895 . 0 0 "[ . ]" 1
242 1 11 A H5'' 1 11 A H8 5.000 . 5.000 3.408 2.285 5.024 0.024 2 0 "[ . ]" 1
243 1 12 A H5' 1 12 A H8 6.000 . 6.000 4.367 4.297 4.446 . 0 0 "[ . ]" 1
244 1 12 A H5'' 1 12 A H8 6.000 . 6.000 2.918 2.674 4.086 . 0 0 "[ . ]" 1
245 1 12 A H5' 1 13 U H6 7.000 . 7.000 5.543 5.113 6.818 . 0 0 "[ . ]" 1
246 1 12 A H5'' 1 13 U H6 7.000 . 7.000 5.413 5.096 5.874 . 0 0 "[ . ]" 1
247 1 13 U H5' 1 13 U H6 6.000 . 6.000 3.930 3.660 4.474 . 0 0 "[ . ]" 1
248 1 13 U H5'' 1 13 U H6 6.000 . 6.000 3.738 2.540 4.035 . 0 0 "[ . ]" 1
249 1 14 C H5' 1 14 C H6 6.000 . 6.000 3.770 3.527 3.895 . 0 0 "[ . ]" 1
250 1 14 C H5'' 1 14 C H6 6.000 . 6.000 3.910 3.834 4.051 . 0 0 "[ . ]" 1
251 1 15 C H5' 1 15 C H6 6.000 . 6.000 3.881 3.746 3.915 . 0 0 "[ . ]" 1
252 1 15 C H5'' 1 15 C H6 6.000 . 6.000 3.750 3.578 3.863 . 0 0 "[ . ]" 1
253 1 16 C H5' 1 17 C H6 7.000 . 7.000 7.028 6.988 7.050 0.050 1 0 "[ . ]" 1
254 1 16 C H5'' 1 17 C H6 7.000 . 7.000 6.354 5.869 6.832 . 0 0 "[ . ]" 1
255 1 17 C H5' 1 17 C H6 6.000 . 6.000 4.012 3.858 4.186 . 0 0 "[ . ]" 1
256 1 17 C H5'' 1 17 C H6 6.000 . 6.000 2.863 2.463 3.923 . 0 0 "[ . ]" 1
257 1 4 G H1' 1 5 A H1' 7.000 . 7.000 5.111 4.688 5.463 . 0 0 "[ . ]" 1
258 1 5 A H2' 1 6 U H5 6.000 . 6.000 4.954 4.755 5.262 . 0 0 "[ . ]" 1
259 1 5 A H3' 1 6 U H5 7.000 . 7.000 4.690 4.416 4.984 . 0 0 "[ . ]" 1
260 1 5 A H1' 1 6 U H5 7.000 . 7.000 6.697 6.530 6.824 . 0 0 "[ . ]" 1
261 1 5 A H1' 1 6 U H1' 7.000 . 7.000 5.146 4.869 5.414 . 0 0 "[ . ]" 1
262 1 6 U H2' 1 6 U H5 6.000 . 6.000 5.661 5.610 5.741 . 0 0 "[ . ]" 1
263 1 6 U H5 1 7 U H5 6.000 . 6.000 5.434 4.748 6.013 0.013 2 0 "[ . ]" 1
264 1 6 U H2' 1 7 U H5 5.000 . 5.000 3.861 3.720 4.074 . 0 0 "[ . ]" 1
265 1 6 U H2' 1 7 U H1' 5.000 . 5.000 5.061 5.028 5.083 0.083 3 0 "[ . ]" 1
266 1 6 U H3' 1 6 U H5 7.000 . 7.000 5.393 5.313 5.494 . 0 0 "[ . ]" 1
267 1 6 U H3' 1 7 U H5 6.000 . 6.000 3.529 3.231 3.945 . 0 0 "[ . ]" 1
268 1 7 U H2' 1 7 U H5 6.000 . 6.000 5.465 5.333 5.536 . 0 0 "[ . ]" 1
269 1 7 U H3' 1 7 U H5 7.000 . 7.000 5.570 5.300 6.085 . 0 0 "[ . ]" 1
270 1 8 G H1' 1 9 A H5' 6.000 . 6.000 4.032 3.884 4.166 . 0 0 "[ . ]" 1
271 1 8 G H1' 1 9 A H5'' 6.000 . 6.000 5.676 5.504 5.832 . 0 0 "[ . ]" 1
272 1 9 A H1' 1 10 A H2' 7.000 . 7.000 2.682 2.504 2.836 . 0 0 "[ . ]" 1
273 1 9 A H5' 1 10 A H1' 7.000 . 7.000 6.218 6.040 6.433 . 0 0 "[ . ]" 1
274 1 9 A H5'' 1 10 A H1' 7.000 . 7.000 6.117 5.878 6.529 . 0 0 "[ . ]" 1
275 1 9 A H1' 1 10 A H5'' 8.000 3.000 8.000 2.928 2.907 2.953 0.093 5 0 "[ . ]" 1
276 1 9 A H1' 1 10 A H5' 8.000 3.000 8.000 4.681 4.652 4.703 . 0 0 "[ . ]" 1
277 1 9 A H4' 1 10 A H1' 6.000 . 6.000 4.747 4.617 4.913 . 0 0 "[ . ]" 1
278 1 10 A H1' 1 11 A H1' 6.000 . 6.000 2.887 2.738 3.081 . 0 0 "[ . ]" 1
279 1 10 A H1' 1 11 A H4' 7.000 . 7.000 3.348 3.146 3.588 . 0 0 "[ . ]" 1
280 1 10 A H1' 1 11 A H5' 7.000 . 7.000 4.364 3.326 5.034 . 0 0 "[ . ]" 1
281 1 10 A H1' 1 11 A H5'' 7.000 . 7.000 4.049 3.561 4.603 . 0 0 "[ . ]" 1
282 1 11 A H2' 1 12 A H1' 6.000 . 6.000 4.780 4.447 5.186 . 0 0 "[ . ]" 1
283 1 12 A H2' 1 13 U H1' 6.000 . 6.000 3.602 2.759 4.071 . 0 0 "[ . ]" 1
284 1 12 A H1' 1 13 U H1' 7.000 . 7.000 5.518 4.631 6.151 . 0 0 "[ . ]" 1
285 1 12 A H1' 1 13 U H5 7.000 . 7.000 6.005 5.529 6.395 . 0 0 "[ . ]" 1
286 1 12 A H2' 1 13 U H5 5.000 . 5.000 3.903 3.461 4.680 . 0 0 "[ . ]" 1
287 1 12 A H3' 1 13 U H5 7.000 . 7.000 3.690 3.010 4.567 . 0 0 "[ . ]" 1
288 1 13 U H5 1 14 C H5 6.000 . 6.000 4.826 4.472 5.594 . 0 0 "[ . ]" 1
289 1 16 C H1' 1 17 C H2' 7.000 . 7.000 7.065 7.029 7.114 0.114 6 0 "[ . ]" 1
290 1 16 C H2' 1 17 C H1' 7.000 . 7.000 3.444 2.999 3.785 . 0 0 "[ . ]" 1
291 1 7 U H2' 1 8 G H5'' 6.000 . 6.000 4.218 2.855 4.758 . 0 0 "[ . ]" 1
292 1 7 U H2' 1 8 G H5' 6.000 . 6.000 3.921 3.729 4.339 . 0 0 "[ . ]" 1
293 1 9 A H4' 1 10 A H5' 6.000 . 6.000 4.407 4.307 4.652 . 0 0 "[ . ]" 1
294 1 9 A H4' 1 10 A H5'' 6.000 . 6.000 3.269 3.165 3.459 . 0 0 "[ . ]" 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 36
_Distance_constraint_stats_list.Viol_count 122
_Distance_constraint_stats_list.Viol_total 25.597
_Distance_constraint_stats_list.Viol_max 0.107
_Distance_constraint_stats_list.Viol_rms 0.0183
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0111
_Distance_constraint_stats_list.Viol_average_violations_only 0.0262
_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 0.452 0.040 8 0 "[ . ]"
1 2 G 0.517 0.091 7 0 "[ . ]"
1 3 G 0.467 0.107 8 0 "[ . ]"
1 4 G 0.371 0.084 7 0 "[ . ]"
1 5 A 0.223 0.045 8 0 "[ . ]"
1 6 U 0.393 0.063 6 0 "[ . ]"
1 7 U 0.777 0.062 5 0 "[ . ]"
1 11 A 0.777 0.062 5 0 "[ . ]"
1 12 A 0.393 0.063 6 0 "[ . ]"
1 13 U 0.223 0.045 8 0 "[ . ]"
1 14 C 0.371 0.084 7 0 "[ . ]"
1 15 C 0.467 0.107 8 0 "[ . ]"
1 16 C 0.517 0.091 7 0 "[ . ]"
1 17 C 0.452 0.040 8 0 "[ . ]"
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 17 C H41 2.000 . 2.200 2.212 2.152 2.233 0.033 8 0 "[ . ]" 2
2 1 1 G O6 1 17 C N4 2.900 2.600 3.200 3.061 2.853 3.205 0.005 1 0 "[ . ]" 2
3 1 1 G H1 1 17 C N3 2.000 . 2.200 2.215 2.191 2.232 0.032 5 0 "[ . ]" 2
4 1 1 G N1 1 17 C N3 2.900 2.600 3.200 3.150 3.035 3.198 . 0 0 "[ . ]" 2
5 1 1 G H21 1 17 C O2 2.000 . 2.200 2.219 2.200 2.240 0.040 8 0 "[ . ]" 2
6 1 1 G N2 1 17 C O2 2.900 2.600 3.200 3.177 3.119 3.210 0.010 4 0 "[ . ]" 2
7 1 2 G O6 1 16 C H41 2.000 . 2.200 2.177 2.063 2.234 0.034 7 0 "[ . ]" 2
8 1 2 G O6 1 16 C N4 2.900 2.600 3.200 3.110 2.943 3.216 0.016 1 0 "[ . ]" 2
9 1 2 G H1 1 16 C N3 2.000 . 2.200 2.106 1.863 2.214 0.014 2 0 "[ . ]" 2
10 1 2 G N1 1 16 C N3 2.900 2.600 3.200 3.092 2.861 3.203 0.003 2 0 "[ . ]" 2
11 1 2 G H21 1 16 C O2 2.000 . 2.200 2.218 2.081 2.291 0.091 7 0 "[ . ]" 2
12 1 2 G N2 1 16 C O2 2.900 2.600 3.200 3.152 3.061 3.221 0.021 5 0 "[ . ]" 2
13 1 3 G O6 1 15 C H41 2.000 . 2.200 2.192 2.125 2.238 0.038 7 0 "[ . ]" 2
14 1 3 G O6 1 15 C N4 2.900 2.600 3.200 3.070 2.737 3.165 . 0 0 "[ . ]" 2
15 1 3 G H1 1 15 C N3 2.000 . 2.200 2.152 1.936 2.230 0.030 6 0 "[ . ]" 2
16 1 3 G N1 1 15 C N3 2.900 2.600 3.200 3.126 2.926 3.217 0.017 1 0 "[ . ]" 2
17 1 3 G H21 1 15 C O2 2.000 . 2.200 2.213 2.142 2.307 0.107 8 0 "[ . ]" 2
18 1 3 G N2 1 15 C O2 2.900 2.600 3.200 3.153 3.038 3.203 0.003 4 0 "[ . ]" 2
19 1 4 G O6 1 14 C H41 2.000 . 2.200 2.164 1.957 2.233 0.033 3 0 "[ . ]" 2
20 1 4 G O6 1 14 C N4 2.900 2.600 3.200 3.070 2.859 3.184 . 0 0 "[ . ]" 2
21 1 4 G H1 1 14 C N3 2.000 . 2.200 2.206 2.111 2.229 0.029 2 0 "[ . ]" 2
22 1 4 G N1 1 14 C N3 2.900 2.600 3.200 3.157 3.098 3.193 . 0 0 "[ . ]" 2
23 1 4 G H21 1 14 C O2 2.000 . 2.200 2.198 2.059 2.284 0.084 7 0 "[ . ]" 2
24 1 4 G N2 1 14 C O2 2.900 2.600 3.200 3.114 2.935 3.209 0.009 7 0 "[ . ]" 2
25 1 5 A H61 1 13 U O4 2.000 . 2.200 2.168 2.043 2.237 0.037 7 0 "[ . ]" 2
26 1 5 A N6 1 13 U O4 2.900 2.600 3.200 3.131 3.017 3.201 0.001 7 0 "[ . ]" 2
27 1 5 A N1 1 13 U H3 2.000 . 2.200 2.187 2.046 2.245 0.045 8 0 "[ . ]" 2
28 1 5 A N1 1 13 U N3 2.900 2.600 3.200 3.036 2.935 3.161 . 0 0 "[ . ]" 2
29 1 6 U O4 1 12 A H61 2.000 . 2.200 2.229 2.211 2.263 0.063 6 0 "[ . ]" 2
30 1 6 U O4 1 12 A N6 2.900 2.600 3.200 3.217 3.205 3.232 0.032 8 0 "[ . ]" 2
31 1 6 U H3 1 12 A N1 2.000 . 2.200 2.137 2.020 2.218 0.018 5 0 "[ . ]" 2
32 1 6 U N3 1 12 A N1 2.900 2.600 3.200 3.023 2.963 3.095 . 0 0 "[ . ]" 2
33 1 7 U O4 1 11 A H61 2.000 . 3.200 3.250 3.243 3.262 0.062 5 0 "[ . ]" 2
34 1 7 U O4 1 11 A N6 2.900 2.600 4.200 4.247 4.242 4.256 0.056 6 0 "[ . ]" 2
35 1 7 U H3 1 11 A N1 2.000 . 3.200 3.042 2.970 3.153 . 0 0 "[ . ]" 2
36 1 7 U N3 1 11 A N1 2.900 2.600 4.200 3.188 3.142 3.230 . 0 0 "[ . ]" 2
stop_
save_
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