Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
415763 | 2dd2 RC | 6979 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2dd2
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 10
_Distance_constraint_stats_list.Viol_count 2
_Distance_constraint_stats_list.Viol_total 0.845
_Distance_constraint_stats_list.Viol_max 0.027
_Distance_constraint_stats_list.Viol_rms 0.0016
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0156
_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 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 2 G 0.027 0.027 3 0 "[ . 1 . 2 . ]"
1 3 U 0.027 0.027 3 0 "[ . 1 . 2 . ]"
1 4 G 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 7 G 0.005 0.005 9 0 "[ . 1 . 2 . ]"
2 4 G 0.005 0.005 9 0 "[ . 1 . 2 . ]"
2 7 G 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 8 C 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 9 C 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 10 P5P 0.000 0.000 . 0 "[ . 1 . 2 . ]"
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 7 G H1 2 4 G H1' . 2.153 4.000 3.437 3.173 4.005 0.005 9 0 "[ . 1 . 2 . ]" 1
2 1 4 G H1' 2 7 G H1 . . 5.000 2.431 2.135 4.024 . 0 0 "[ . 1 . 2 . ]" 1
3 1 2 G H1 1 3 U H3 . . 4.406 3.623 3.383 4.433 0.027 3 0 "[ . 1 . 2 . ]" 1
4 1 2 G H1 2 7 G H1 . 2.081 4.855 3.872 3.637 4.151 . 0 0 "[ . 1 . 2 . ]" 1
5 1 1 G H1 2 10 P5P H6 . 2.184 5.097 4.608 4.396 4.815 . 0 0 "[ . 1 . 2 . ]" 1
6 1 3 U H3 2 8 C H41 . 2.291 5.347 3.602 3.455 4.126 . 0 0 "[ . 1 . 2 . ]" 1
7 1 3 U H3 2 8 C H42 . 2.638 6.156 4.876 4.585 5.425 . 0 0 "[ . 1 . 2 . ]" 1
8 2 9 C H41 2 10 P5P H6 . 2.363 5.514 3.239 3.079 3.575 . 0 0 "[ . 1 . 2 . ]" 1
9 2 9 C H42 2 10 P5P H6 . . 4.433 3.488 3.256 4.358 . 0 0 "[ . 1 . 2 . ]" 1
10 1 1 G H1 2 10 P5P H1' . 2.120 4.946 3.913 3.695 4.415 . 0 0 "[ . 1 . 2 . ]" 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 225
_Distance_constraint_stats_list.Viol_count 97
_Distance_constraint_stats_list.Viol_total 52.985
_Distance_constraint_stats_list.Viol_max 0.254
_Distance_constraint_stats_list.Viol_rms 0.0060
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0202
_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 0.002 0.001 17 0 "[ . 1 . 2 . ]"
1 2 G 0.002 0.001 17 0 "[ . 1 . 2 . ]"
1 3 U 0.066 0.029 3 0 "[ . 1 . 2 . ]"
1 4 G 0.410 0.186 8 0 "[ . 1 . 2 . ]"
1 5 A 0.161 0.056 1 0 "[ . 1 . 2 . ]"
1 6 A 0.072 0.056 1 0 "[ . 1 . 2 . ]"
1 7 G 0.017 0.012 13 0 "[ . 1 . 2 . ]"
1 8 G 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 9 C 0.001 0.001 5 0 "[ . 1 . 2 . ]"
1 10 U 0.001 0.001 5 0 "[ . 1 . 2 . ]"
2 1 G 0.380 0.018 25 0 "[ . 1 . 2 . ]"
2 2 C 0.380 0.018 25 0 "[ . 1 . 2 . ]"
2 3 C 0.003 0.002 11 0 "[ . 1 . 2 . ]"
2 4 G 0.891 0.254 1 0 "[ . 1 . 2 . ]"
2 5 A 0.336 0.062 26 0 "[ . 1 . 2 . ]"
2 6 A 0.141 0.032 21 0 "[ . 1 . 2 . ]"
2 7 G 0.030 0.030 3 0 "[ . 1 . 2 . ]"
2 8 C 0.030 0.030 3 0 "[ . 1 . 2 . ]"
2 9 C 0.020 0.015 24 0 "[ . 1 . 2 . ]"
2 10 P5P 0.020 0.015 24 0 "[ . 1 . 2 . ]"
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 6 A H1' 2 5 A H2 . . 4.857 2.831 2.436 3.331 . 0 0 "[ . 1 . 2 . ]" 2
2 2 5 A H2 2 6 A H1' . . 4.299 2.979 2.444 3.470 . 0 0 "[ . 1 . 2 . ]" 2
3 1 6 A H2 2 5 A H1' . . 4.140 3.071 2.562 4.055 . 0 0 "[ . 1 . 2 . ]" 2
4 1 5 A H2 2 5 A H8 . . 5.000 2.604 2.070 3.548 . 0 0 "[ . 1 . 2 . ]" 2
5 1 5 A H2 2 4 G H1' . . 5.000 4.656 4.247 5.037 0.037 24 0 "[ . 1 . 2 . ]" 2
6 1 5 A H2 2 4 G H2' . . 5.000 2.356 2.085 3.844 . 0 0 "[ . 1 . 2 . ]" 2
7 2 4 G H1' 2 5 A H8 . . 5.495 4.881 4.146 5.557 0.062 26 0 "[ . 1 . 2 . ]" 2
8 2 5 A H2' 2 6 A H8 . . 3.990 3.409 2.241 4.022 0.032 21 0 "[ . 1 . 2 . ]" 2
9 1 5 A H1' 1 6 A H8 . . 4.119 3.263 2.746 4.175 0.056 1 0 "[ . 1 . 2 . ]" 2
10 1 4 G H3' 1 5 A H8 . . 5.000 3.629 2.871 4.252 . 0 0 "[ . 1 . 2 . ]" 2
11 2 5 A H3' 2 6 A H8 . . 5.000 2.629 2.079 4.122 . 0 0 "[ . 1 . 2 . ]" 2
12 1 4 G H8 1 5 A H8 . 3.401 6.000 5.558 4.398 6.018 0.018 4 0 "[ . 1 . 2 . ]" 2
13 2 5 A H8 2 6 A H8 . 3.084 5.727 4.206 3.740 4.937 . 0 0 "[ . 1 . 2 . ]" 2
14 1 5 A H4' 2 6 A H2 . 2.834 5.262 4.114 3.010 5.267 0.005 6 0 "[ . 1 . 2 . ]" 2
15 1 4 G H2' 1 5 A H8 . . 5.000 3.175 2.578 3.652 . 0 0 "[ . 1 . 2 . ]" 2
16 1 5 A H1' 1 5 A H8 . . 4.965 3.875 3.678 3.937 . 0 0 "[ . 1 . 2 . ]" 2
17 1 5 A H2' 1 5 A H8 . . 3.191 2.194 2.056 2.852 . 0 0 "[ . 1 . 2 . ]" 2
18 1 5 A H1' 1 5 A H2' . . 3.938 3.012 2.991 3.031 . 0 0 "[ . 1 . 2 . ]" 2
19 1 5 A H1' 1 5 A H3' . . 4.810 3.893 3.659 3.965 . 0 0 "[ . 1 . 2 . ]" 2
20 1 5 A H3' 1 5 A H8 . . 5.000 4.280 4.096 4.867 . 0 0 "[ . 1 . 2 . ]" 2
21 1 5 A H1' 1 5 A H4' . . 4.411 3.509 3.157 3.671 . 0 0 "[ . 1 . 2 . ]" 2
22 2 5 A H1' 2 5 A H8 . . 5.043 3.625 3.368 3.841 . 0 0 "[ . 1 . 2 . ]" 2
23 2 5 A H2' 2 5 A H8 . . 5.000 4.296 3.779 4.644 . 0 0 "[ . 1 . 2 . ]" 2
24 2 5 A H3' 2 5 A H8 . . 4.265 3.520 2.532 4.282 0.017 26 0 "[ . 1 . 2 . ]" 2
25 2 5 A H1' 2 5 A H3' . . 5.000 3.830 3.740 4.016 . 0 0 "[ . 1 . 2 . ]" 2
26 2 5 A H1' 2 5 A H4' . . 4.420 3.473 3.151 3.871 . 0 0 "[ . 1 . 2 . ]" 2
27 2 5 A H1' 2 5 A H2' . . 3.646 2.732 2.688 2.804 . 0 0 "[ . 1 . 2 . ]" 2
28 2 4 G H2' 2 5 A H8 . . 4.762 3.095 2.298 4.766 0.004 9 0 "[ . 1 . 2 . ]" 2
29 1 1 G H1' 1 1 G H8 . 2.637 4.897 3.637 3.598 3.760 . 0 0 "[ . 1 . 2 . ]" 2
30 1 1 G H2' 1 1 G H8 . 2.645 4.911 4.359 4.049 4.444 . 0 0 "[ . 1 . 2 . ]" 2
31 1 1 G H4' 1 1 G H8 . 2.863 5.318 4.330 4.275 4.555 . 0 0 "[ . 1 . 2 . ]" 2
32 1 1 G H1' 1 1 G H3' . 2.531 4.700 3.720 3.699 3.802 . 0 0 "[ . 1 . 2 . ]" 2
33 1 1 G H1' 1 1 G H4' . 2.506 4.654 3.390 3.114 3.452 . 0 0 "[ . 1 . 2 . ]" 2
34 1 1 G H1' 1 2 G H8 . 2.872 5.334 5.187 4.826 5.329 . 0 0 "[ . 1 . 2 . ]" 2
35 1 1 G H1' 1 1 G H2' . . 3.596 2.729 2.717 2.780 . 0 0 "[ . 1 . 2 . ]" 2
36 1 1 G H2' 1 2 G H8 . . 3.191 2.963 2.218 3.192 0.001 17 0 "[ . 1 . 2 . ]" 2
37 1 1 G H3' 1 1 G H8 . 2.352 4.367 3.302 3.130 3.378 . 0 0 "[ . 1 . 2 . ]" 2
38 1 1 G H3' 1 2 G H8 . . 3.692 2.735 2.436 3.274 . 0 0 "[ . 1 . 2 . ]" 2
39 1 1 G H8 1 2 G H8 . 3.259 6.000 4.751 4.558 4.864 . 0 0 "[ . 1 . 2 . ]" 2
40 1 2 G H1' 1 2 G H8 . 2.625 4.875 3.769 3.734 3.799 . 0 0 "[ . 1 . 2 . ]" 2
41 1 2 G H2' 1 2 G H8 . 2.983 5.540 4.050 3.997 4.164 . 0 0 "[ . 1 . 2 . ]" 2
42 1 2 G H3' 1 2 G H8 . 2.303 4.278 3.180 3.058 3.350 . 0 0 "[ . 1 . 2 . ]" 2
43 1 2 G H8 1 3 U H5 . 2.759 5.124 4.144 3.707 4.301 . 0 0 "[ . 1 . 2 . ]" 2
44 1 1 G H2' 1 2 G H1' . 3.001 5.573 3.901 3.759 4.035 . 0 0 "[ . 1 . 2 . ]" 2
45 1 2 G H1' 1 2 G H2' . . 3.508 2.749 2.728 2.759 . 0 0 "[ . 1 . 2 . ]" 2
46 1 2 G H1' 1 2 G H3' . 2.891 5.369 3.824 3.817 3.831 . 0 0 "[ . 1 . 2 . ]" 2
47 1 2 G H2' 1 3 U H1' . 2.486 4.617 3.920 3.821 4.105 . 0 0 "[ . 1 . 2 . ]" 2
48 1 2 G H3' 1 3 U H6 . 2.140 3.974 3.071 2.688 3.199 . 0 0 "[ . 1 . 2 . ]" 2
49 1 2 G H4' 1 2 G H8 . 2.594 4.817 4.511 4.459 4.545 . 0 0 "[ . 1 . 2 . ]" 2
50 1 2 G H1' 1 2 G H4' . 2.769 5.143 3.250 3.210 3.316 . 0 0 "[ . 1 . 2 . ]" 2
51 1 2 G H2' 1 3 U H5 . 2.574 4.780 4.117 3.979 4.309 . 0 0 "[ . 1 . 2 . ]" 2
52 1 2 G H1' 1 3 U H6 . 2.962 5.501 4.976 4.896 5.068 . 0 0 "[ . 1 . 2 . ]" 2
53 1 2 G H2' 1 3 U H6 . . 3.430 2.388 2.299 2.612 . 0 0 "[ . 1 . 2 . ]" 2
54 1 3 U H5 1 3 U H6 . . 3.329 2.419 2.414 2.423 . 0 0 "[ . 1 . 2 . ]" 2
55 1 3 U H1' 1 3 U H6 . 2.401 4.458 3.645 3.631 3.668 . 0 0 "[ . 1 . 2 . ]" 2
56 1 3 U H3' 1 3 U H6 . 2.161 4.013 2.987 2.873 3.071 . 0 0 "[ . 1 . 2 . ]" 2
57 1 3 U H1' 1 3 U H3' . 2.903 5.391 3.848 3.836 3.858 . 0 0 "[ . 1 . 2 . ]" 2
58 1 3 U H1' 1 3 U H4' . 2.604 4.836 3.249 3.205 3.276 . 0 0 "[ . 1 . 2 . ]" 2
59 1 3 U H2' 1 3 U H6 . 2.325 5.000 3.798 3.637 3.894 . 0 0 "[ . 1 . 2 . ]" 2
60 1 3 U H1' 1 3 U H2' . . 3.629 2.762 2.743 2.788 . 0 0 "[ . 1 . 2 . ]" 2
61 1 3 U H2' 1 4 G H1' . 2.373 4.408 3.843 3.578 4.437 0.029 3 0 "[ . 1 . 2 . ]" 2
62 1 3 U H4' 1 3 U H6 . 2.590 4.811 4.243 4.183 4.254 . 0 0 "[ . 1 . 2 . ]" 2
63 1 3 U H6 1 4 G H8 . 3.032 5.632 4.984 4.566 5.509 . 0 0 "[ . 1 . 2 . ]" 2
64 1 3 U H1' 1 4 G H8 . 3.252 6.000 5.267 4.916 5.637 . 0 0 "[ . 1 . 2 . ]" 2
65 1 3 U H2' 1 4 G H8 . . 3.497 2.579 2.293 2.896 . 0 0 "[ . 1 . 2 . ]" 2
66 1 3 U H3' 1 4 G H8 . . 3.606 3.254 2.901 3.624 0.018 3 0 "[ . 1 . 2 . ]" 2
67 1 4 G H1' 1 4 G H8 . 2.747 5.102 3.848 3.736 3.909 . 0 0 "[ . 1 . 2 . ]" 2
68 1 4 G H1' 1 4 G H2' . 2.149 3.990 2.767 2.698 2.976 . 0 0 "[ . 1 . 2 . ]" 2
69 1 4 G H1' 1 4 G H4' . 2.626 4.877 3.467 3.282 3.652 . 0 0 "[ . 1 . 2 . ]" 2
70 1 4 G H2' 1 4 G H8 . 2.482 4.610 3.631 2.616 4.226 . 0 0 "[ . 1 . 2 . ]" 2
71 1 4 G H3' 1 4 G H8 . . 3.692 2.923 2.534 3.878 0.186 8 0 "[ . 1 . 2 . ]" 2
72 1 4 G H1' 1 4 G H3' . 2.586 4.803 3.867 3.675 4.009 . 0 0 "[ . 1 . 2 . ]" 2
73 1 6 A H1' 1 6 A H8 . 2.569 5.500 3.686 3.565 3.777 . 0 0 "[ . 1 . 2 . ]" 2
74 1 6 A H3' 1 6 A H8 . 2.146 3.985 3.248 2.930 3.677 . 0 0 "[ . 1 . 2 . ]" 2
75 1 6 A H1' 1 6 A H2' . 2.665 4.950 2.692 2.680 2.725 . 0 0 "[ . 1 . 2 . ]" 2
76 1 6 A H1' 1 6 A H3' . 3.017 5.602 3.791 3.761 3.822 . 0 0 "[ . 1 . 2 . ]" 2
77 1 6 A H2' 1 6 A H8 . 2.691 4.998 4.291 4.046 4.496 . 0 0 "[ . 1 . 2 . ]" 2
78 1 6 A H3' 1 7 G H8 . . 3.321 2.331 2.082 2.696 . 0 0 "[ . 1 . 2 . ]" 2
79 1 6 A H8 1 7 G H8 . 2.477 4.600 4.240 3.944 4.399 . 0 0 "[ . 1 . 2 . ]" 2
80 1 6 A H1' 1 7 G H8 . 3.796 6.000 5.470 5.161 5.770 . 0 0 "[ . 1 . 2 . ]" 2
81 1 6 A H2' 1 7 G H8 . 2.983 5.540 3.526 2.971 4.076 0.012 13 0 "[ . 1 . 2 . ]" 2
82 1 7 G H1' 1 7 G H8 . 2.374 4.409 3.819 3.786 3.854 . 0 0 "[ . 1 . 2 . ]" 2
83 1 7 G H2' 1 7 G H8 . . 5.000 3.908 3.656 4.041 . 0 0 "[ . 1 . 2 . ]" 2
84 1 6 A H2 1 7 G H1' . 2.462 4.572 3.292 2.989 4.255 . 0 0 "[ . 1 . 2 . ]" 2
85 1 7 G H2' 1 8 G H8 . . 3.028 2.142 2.087 2.188 . 0 0 "[ . 1 . 2 . ]" 2
86 1 7 G H2' 1 8 G H1' . 2.995 5.562 4.317 4.056 5.134 . 0 0 "[ . 1 . 2 . ]" 2
87 1 7 G H3' 1 7 G H8 . . 5.000 2.970 2.817 3.398 . 0 0 "[ . 1 . 2 . ]" 2
88 1 7 G H3' 1 8 G H8 . . 5.000 3.536 3.255 4.038 . 0 0 "[ . 1 . 2 . ]" 2
89 1 7 G H1' 1 8 G H8 . 2.675 4.968 4.756 4.567 4.845 . 0 0 "[ . 1 . 2 . ]" 2
90 1 8 G H1' 1 8 G H8 . 2.818 5.233 3.819 3.789 3.852 . 0 0 "[ . 1 . 2 . ]" 2
91 1 8 G H2' 1 8 G H8 . 3.057 5.676 3.951 3.814 4.051 . 0 0 "[ . 1 . 2 . ]" 2
92 1 7 G H8 1 8 G H8 . 3.200 5.943 5.206 4.944 5.659 . 0 0 "[ . 1 . 2 . ]" 2
93 1 8 G H8 1 9 C H5 . 3.137 5.826 3.973 3.740 4.118 . 0 0 "[ . 1 . 2 . ]" 2
94 1 8 G H1' 1 9 C H6 . 3.149 5.849 4.863 4.810 5.005 . 0 0 "[ . 1 . 2 . ]" 2
95 1 8 G H1' 1 8 G H2' . . 3.480 2.735 2.731 2.744 . 0 0 "[ . 1 . 2 . ]" 2
96 1 8 G H2' 1 9 C H5 . 2.654 4.928 3.660 3.589 3.704 . 0 0 "[ . 1 . 2 . ]" 2
97 1 8 G H2' 1 9 C H6 . . 3.104 2.205 2.167 2.319 . 0 0 "[ . 1 . 2 . ]" 2
98 1 8 G H3' 1 8 G H8 . . 3.664 2.952 2.791 3.101 . 0 0 "[ . 1 . 2 . ]" 2
99 1 8 G H1' 1 8 G H3' . 2.515 4.672 3.824 3.812 3.839 . 0 0 "[ . 1 . 2 . ]" 2
100 1 8 G H3' 1 9 C H5 . 2.525 4.689 3.547 3.444 3.679 . 0 0 "[ . 1 . 2 . ]" 2
101 1 8 G H3' 1 9 C H6 . 2.149 3.990 3.179 3.087 3.255 . 0 0 "[ . 1 . 2 . ]" 2
102 1 8 G H4' 1 8 G H8 . 2.583 5.000 4.412 4.369 4.435 . 0 0 "[ . 1 . 2 . ]" 2
103 1 8 G H1' 1 8 G H4' . 2.645 4.911 3.331 3.317 3.345 . 0 0 "[ . 1 . 2 . ]" 2
104 1 9 C H5 1 10 U H5 . 2.520 4.680 3.300 3.040 3.532 . 0 0 "[ . 1 . 2 . ]" 2
105 1 8 G H8 1 9 C H6 . 2.835 5.265 4.890 4.702 5.031 . 0 0 "[ . 1 . 2 . ]" 2
106 1 9 C H5 1 9 C H6 . . 3.160 2.410 2.408 2.416 . 0 0 "[ . 1 . 2 . ]" 2
107 1 9 C H6 1 10 U H6 . 2.910 5.404 4.257 3.922 4.462 . 0 0 "[ . 1 . 2 . ]" 2
108 1 8 G H2' 1 9 C H1' . 2.875 5.339 3.947 3.874 4.054 . 0 0 "[ . 1 . 2 . ]" 2
109 1 9 C H1' 1 9 C H6 . 2.545 4.727 3.690 3.662 3.723 . 0 0 "[ . 1 . 2 . ]" 2
110 1 9 C H1' 1 9 C H3' . 2.478 4.602 3.829 3.812 3.887 . 0 0 "[ . 1 . 2 . ]" 2
111 1 9 C H2' 1 9 C H6 . 2.394 5.000 3.662 3.334 3.813 . 0 0 "[ . 1 . 2 . ]" 2
112 1 9 C H1' 1 9 C H2' . . 3.472 2.761 2.746 2.809 . 0 0 "[ . 1 . 2 . ]" 2
113 1 9 C H3' 1 9 C H6 . . 3.580 2.678 2.546 2.807 . 0 0 "[ . 1 . 2 . ]" 2
114 1 9 C H3' 1 9 C H5 . 2.682 4.981 4.645 4.530 4.852 . 0 0 "[ . 1 . 2 . ]" 2
115 1 9 C H1' 1 9 C H4' . 2.490 4.624 3.260 3.201 3.281 . 0 0 "[ . 1 . 2 . ]" 2
116 1 9 C H6 1 10 U H5 . 3.010 5.590 3.721 3.454 4.192 . 0 0 "[ . 1 . 2 . ]" 2
117 1 9 C H2' 1 10 U H5 . 2.450 4.551 4.132 4.003 4.552 0.001 5 0 "[ . 1 . 2 . ]" 2
118 1 9 C H3' 1 10 U H5 . 2.452 5.000 3.817 3.529 4.894 . 0 0 "[ . 1 . 2 . ]" 2
119 1 9 C H1' 1 10 U H6 . 2.773 5.149 4.896 4.792 4.958 . 0 0 "[ . 1 . 2 . ]" 2
120 1 9 C H2' 1 10 U H6 . . 3.327 2.372 2.290 2.579 . 0 0 "[ . 1 . 2 . ]" 2
121 1 9 C H3' 1 10 U H6 . 2.085 3.872 3.165 3.000 3.693 . 0 0 "[ . 1 . 2 . ]" 2
122 1 10 U H5 1 10 U H6 . . 3.267 2.413 2.407 2.416 . 0 0 "[ . 1 . 2 . ]" 2
123 1 10 U H1' 1 10 U H6 . 2.557 4.749 3.663 3.573 3.691 . 0 0 "[ . 1 . 2 . ]" 2
124 1 9 C H2' 1 10 U H1' . 2.642 4.907 4.150 3.999 4.258 . 0 0 "[ . 1 . 2 . ]" 2
125 1 10 U H2' 1 10 U H6 . 2.288 4.249 3.748 3.640 4.127 . 0 0 "[ . 1 . 2 . ]" 2
126 1 10 U H1' 1 10 U H2' . 2.024 3.760 2.772 2.727 2.790 . 0 0 "[ . 1 . 2 . ]" 2
127 1 10 U H3' 1 10 U H6 . . 3.578 2.674 2.520 2.988 . 0 0 "[ . 1 . 2 . ]" 2
128 1 10 U H1' 1 10 U H3' . 2.279 4.233 3.795 3.776 3.819 . 0 0 "[ . 1 . 2 . ]" 2
129 1 10 U H1' 1 10 U H4' . 2.477 4.601 3.256 3.200 3.516 . 0 0 "[ . 1 . 2 . ]" 2
130 1 10 U H4' 1 10 U H6 . 2.466 5.000 4.147 4.079 4.187 . 0 0 "[ . 1 . 2 . ]" 2
131 2 1 G H8 2 2 C H6 . 2.682 4.981 4.987 4.974 4.999 0.018 25 0 "[ . 1 . 2 . ]" 2
132 2 1 G H1' 2 1 G H8 . 2.596 4.821 3.611 3.581 3.771 . 0 0 "[ . 1 . 2 . ]" 2
133 2 1 G H2' 2 1 G H8 . 2.498 4.639 4.403 4.025 4.461 . 0 0 "[ . 1 . 2 . ]" 2
134 2 1 G H3' 2 1 G H8 . 2.225 4.132 3.358 3.031 3.433 . 0 0 "[ . 1 . 2 . ]" 2
135 2 1 G H1' 2 1 G H3' . 2.559 4.752 3.710 3.681 3.780 . 0 0 "[ . 1 . 2 . ]" 2
136 2 1 G H1' 2 1 G H4' . 2.415 4.485 3.400 3.183 3.430 . 0 0 "[ . 1 . 2 . ]" 2
137 2 1 G H1' 2 2 C H6 . 2.863 5.318 5.212 4.892 5.319 0.001 12 0 "[ . 1 . 2 . ]" 2
138 2 1 G H1' 2 1 G H2' . . 3.522 2.733 2.724 2.762 . 0 0 "[ . 1 . 2 . ]" 2
139 2 1 G H2' 2 2 C H5 . 2.480 4.605 4.567 3.944 4.622 0.017 13 0 "[ . 1 . 2 . ]" 2
140 2 1 G H2' 2 2 C H6 . . 3.220 2.895 2.292 3.010 . 0 0 "[ . 1 . 2 . ]" 2
141 2 1 G H3' 2 2 C H6 . 2.057 3.821 2.775 2.595 3.466 . 0 0 "[ . 1 . 2 . ]" 2
142 2 1 G H4' 2 1 G H8 . 3.017 5.602 4.333 4.291 4.492 . 0 0 "[ . 1 . 2 . ]" 2
143 2 1 G H8 2 2 C H5 . 3.603 6.000 4.296 4.190 4.460 . 0 0 "[ . 1 . 2 . ]" 2
144 2 1 G H3' 2 2 C H5 . 2.775 5.153 3.710 3.509 4.199 . 0 0 "[ . 1 . 2 . ]" 2
145 2 2 C H5 2 2 C H6 . . 3.118 2.415 2.411 2.421 . 0 0 "[ . 1 . 2 . ]" 2
146 2 2 C H2' 2 2 C H6 . 2.173 5.000 3.860 3.671 3.938 . 0 0 "[ . 1 . 2 . ]" 2
147 2 1 G H2' 2 2 C H1' . 2.908 5.401 4.159 3.971 4.327 . 0 0 "[ . 1 . 2 . ]" 2
148 2 2 C H1' 2 2 C H6 . 2.482 4.610 3.633 3.615 3.669 . 0 0 "[ . 1 . 2 . ]" 2
149 2 2 C H1' 2 2 C H2' . . 3.436 2.761 2.753 2.783 . 0 0 "[ . 1 . 2 . ]" 2
150 2 2 C H1' 2 3 C H6 . 2.957 5.492 4.905 4.852 4.972 . 0 0 "[ . 1 . 2 . ]" 2
151 2 2 C H2' 2 3 C H5 . 2.857 5.306 3.845 3.545 3.919 . 0 0 "[ . 1 . 2 . ]" 2
152 2 2 C H2' 2 3 C H6 . . 3.296 2.278 2.210 2.351 . 0 0 "[ . 1 . 2 . ]" 2
153 2 2 C H3' 2 2 C H6 . . 3.593 2.822 2.661 2.911 . 0 0 "[ . 1 . 2 . ]" 2
154 2 2 C H1' 2 2 C H3' . 2.134 3.963 3.796 3.789 3.806 . 0 0 "[ . 1 . 2 . ]" 2
155 2 2 C H1' 2 2 C H4' . 2.477 4.599 3.191 3.125 3.220 . 0 0 "[ . 1 . 2 . ]" 2
156 2 3 C H5 2 3 C H6 . . 3.323 2.420 2.414 2.425 . 0 0 "[ . 1 . 2 . ]" 2
157 2 3 C H3' 2 3 C H6 . 2.011 3.735 2.686 2.378 2.875 . 0 0 "[ . 1 . 2 . ]" 2
158 2 2 C H2' 2 3 C H1' . 2.775 5.153 4.063 3.759 4.318 . 0 0 "[ . 1 . 2 . ]" 2
159 2 3 C H1' 2 3 C H6 . 2.588 4.807 3.682 3.646 3.727 . 0 0 "[ . 1 . 2 . ]" 2
160 2 3 C H1' 2 3 C H3' . 2.321 4.310 3.816 3.793 3.832 . 0 0 "[ . 1 . 2 . ]" 2
161 2 3 C H1' 2 3 C H4' . 2.231 4.143 3.179 3.084 3.277 . 0 0 "[ . 1 . 2 . ]" 2
162 2 3 C H1' 2 4 G H8 . 3.288 6.000 4.898 4.712 5.109 . 0 0 "[ . 1 . 2 . ]" 2
163 2 3 C H1' 2 3 C H2' . . 3.455 2.771 2.740 2.804 . 0 0 "[ . 1 . 2 . ]" 2
164 2 3 C H6 2 4 G H8 . 2.968 5.512 4.241 3.729 4.545 . 0 0 "[ . 1 . 2 . ]" 2
165 2 3 C H2' 2 4 G H8 . . 3.682 2.306 2.100 2.572 . 0 0 "[ . 1 . 2 . ]" 2
166 2 3 C H3' 2 4 G H8 . . 3.251 3.015 2.739 3.253 0.002 11 0 "[ . 1 . 2 . ]" 2
167 2 4 G H2' 2 4 G H8 . 2.022 5.000 4.013 2.512 4.447 . 0 0 "[ . 1 . 2 . ]" 2
168 2 4 G H1' 2 4 G H8 . 2.785 5.173 3.750 3.631 3.856 . 0 0 "[ . 1 . 2 . ]" 2
169 2 4 G H1' 2 4 G H2' . . 3.701 2.749 2.660 3.031 . 0 0 "[ . 1 . 2 . ]" 2
170 2 4 G H1' 2 4 G H3' . 2.818 5.233 3.813 3.625 3.951 . 0 0 "[ . 1 . 2 . ]" 2
171 2 4 G H3' 2 4 G H8 . 2.190 4.067 3.224 2.496 4.321 0.254 1 0 "[ . 1 . 2 . ]" 2
172 2 4 G H1' 2 4 G H4' . 2.486 4.617 3.513 3.295 3.776 . 0 0 "[ . 1 . 2 . ]" 2
173 2 6 A H2 2 7 G H1' . 2.400 4.457 2.961 2.724 3.912 . 0 0 "[ . 1 . 2 . ]" 2
174 2 6 A H2' 2 6 A H8 . 2.246 5.000 4.167 3.966 4.331 . 0 0 "[ . 1 . 2 . ]" 2
175 2 6 A H8 2 7 G H8 . 2.766 5.136 4.306 3.751 4.695 . 0 0 "[ . 1 . 2 . ]" 2
176 2 6 A H1' 2 6 A H8 . 2.755 5.117 3.721 3.544 3.803 . 0 0 "[ . 1 . 2 . ]" 2
177 2 6 A H1' 2 6 A H2' . . 3.612 2.741 2.696 2.859 . 0 0 "[ . 1 . 2 . ]" 2
178 2 6 A H1' 2 6 A H3' . 2.612 4.851 3.810 3.754 3.847 . 0 0 "[ . 1 . 2 . ]" 2
179 2 6 A H1' 2 6 A H4' . 2.464 4.576 3.332 2.862 3.702 . 0 0 "[ . 1 . 2 . ]" 2
180 2 6 A H2' 2 7 G H8 . . 3.695 2.420 2.226 3.189 . 0 0 "[ . 1 . 2 . ]" 2
181 2 6 A H3' 2 6 A H8 . 2.129 3.953 3.286 2.989 3.955 0.002 7 0 "[ . 1 . 2 . ]" 2
182 2 6 A H3' 2 7 G H8 . . 5.000 2.358 2.104 2.634 . 0 0 "[ . 1 . 2 . ]" 2
183 2 7 G H3' 2 7 G H8 . . 5.000 2.985 2.799 3.157 . 0 0 "[ . 1 . 2 . ]" 2
184 2 6 A H1' 2 7 G H8 . 3.552 6.000 4.802 4.654 5.182 . 0 0 "[ . 1 . 2 . ]" 2
185 2 7 G H8 2 8 C H5 . 2.955 5.487 3.736 3.473 4.424 . 0 0 "[ . 1 . 2 . ]" 2
186 2 7 G H1' 2 7 G H8 . 2.529 4.697 3.797 3.751 3.836 . 0 0 "[ . 1 . 2 . ]" 2
187 2 7 G H2' 2 7 G H8 . 2.120 5.000 4.011 3.789 4.168 . 0 0 "[ . 1 . 2 . ]" 2
188 2 7 G H2' 2 8 C H6 . . 3.194 2.260 2.186 2.319 . 0 0 "[ . 1 . 2 . ]" 2
189 2 7 G H3' 2 8 C H6 . . 3.612 3.018 2.871 3.642 0.030 3 0 "[ . 1 . 2 . ]" 2
190 2 7 G H3' 2 8 C H5 . 2.560 4.754 3.404 3.225 4.173 . 0 0 "[ . 1 . 2 . ]" 2
191 2 8 C H5 2 8 C H6 . . 3.299 2.409 2.405 2.416 . 0 0 "[ . 1 . 2 . ]" 2
192 2 8 C H3' 2 8 C H5 . 2.281 5.000 4.638 4.545 4.730 . 0 0 "[ . 1 . 2 . ]" 2
193 2 7 G H8 2 8 C H6 . 2.835 5.265 4.736 4.514 5.133 . 0 0 "[ . 1 . 2 . ]" 2
194 2 7 G H1' 2 8 C H6 . 2.857 5.305 4.850 4.815 4.912 . 0 0 "[ . 1 . 2 . ]" 2
195 2 8 C H1' 2 8 C H6 . 2.522 4.683 3.676 3.640 3.711 . 0 0 "[ . 1 . 2 . ]" 2
196 2 8 C H2' 2 8 C H6 . 2.720 5.051 3.750 3.583 3.891 . 0 0 "[ . 1 . 2 . ]" 2
197 2 8 C H3' 2 8 C H6 . . 3.305 2.658 2.554 2.815 . 0 0 "[ . 1 . 2 . ]" 2
198 2 8 C H1' 2 8 C H2' . . 3.502 2.756 2.747 2.777 . 0 0 "[ . 1 . 2 . ]" 2
199 2 8 C H1' 2 8 C H3' . 2.543 4.723 3.803 3.797 3.817 . 0 0 "[ . 1 . 2 . ]" 2
200 2 8 C H1' 2 8 C H4' . 2.240 4.160 3.240 3.158 3.267 . 0 0 "[ . 1 . 2 . ]" 2
201 2 8 C H1' 2 9 C H6 . 2.506 6.000 4.809 4.777 4.901 . 0 0 "[ . 1 . 2 . ]" 2
202 2 8 C H3' 2 9 C H6 . 2.324 4.317 3.292 3.182 3.565 . 0 0 "[ . 1 . 2 . ]" 2
203 2 7 G H2' 2 8 C H5 . 2.396 4.449 3.776 3.477 3.887 . 0 0 "[ . 1 . 2 . ]" 2
204 2 8 C H2' 2 9 C H6 . . 3.142 2.142 2.115 2.228 . 0 0 "[ . 1 . 2 . ]" 2
205 2 9 C H5 2 9 C H6 . . 3.177 2.413 2.410 2.419 . 0 0 "[ . 1 . 2 . ]" 2
206 2 9 C H2' 2 9 C H6 . 2.304 5.000 3.779 3.523 3.853 . 0 0 "[ . 1 . 2 . ]" 2
207 2 9 C H3' 2 9 C H6 . . 3.309 2.702 2.646 2.841 . 0 0 "[ . 1 . 2 . ]" 2
208 2 8 C H2' 2 9 C H1' . 2.875 5.339 4.199 4.032 4.457 . 0 0 "[ . 1 . 2 . ]" 2
209 2 9 C H1' 2 9 C H6 . 2.598 4.825 3.665 3.655 3.696 . 0 0 "[ . 1 . 2 . ]" 2
210 2 9 C H1' 2 9 C H2' . . 3.371 2.755 2.742 2.805 . 0 0 "[ . 1 . 2 . ]" 2
211 2 9 C H1' 2 9 C H3' . 2.586 4.803 3.796 3.762 3.859 . 0 0 "[ . 1 . 2 . ]" 2
212 2 9 C H1' 2 10 P5P H8 . 3.338 6.000 4.680 4.593 5.199 . 0 0 "[ . 1 . 2 . ]" 2
213 2 9 C H2' 2 10 P5P H8 . . 3.198 2.240 2.141 3.213 0.015 24 0 "[ . 1 . 2 . ]" 2
214 2 9 C H2' 2 10 P5P H1' . 2.533 4.704 4.175 4.026 4.278 . 0 0 "[ . 1 . 2 . ]" 2
215 2 9 C H3' 2 10 P5P H8 . 2.049 3.805 3.141 2.911 3.809 0.004 24 0 "[ . 1 . 2 . ]" 2
216 2 9 C H1' 2 9 C H4' . 2.490 4.625 3.235 3.139 3.258 . 0 0 "[ . 1 . 2 . ]" 2
217 1 1 G H1' 2 10 P5P H2 . 3.149 5.849 4.297 3.636 4.644 . 0 0 "[ . 1 . 2 . ]" 2
218 2 9 C H6 2 10 P5P H8 . 3.270 6.000 4.262 3.990 4.384 . 0 0 "[ . 1 . 2 . ]" 2
219 2 10 P5P H1' 2 10 P5P H8 . 2.832 5.259 3.798 3.671 3.836 . 0 0 "[ . 1 . 2 . ]" 2
220 2 10 P5P H2' 2 10 P5P H8 . 2.408 4.472 3.994 3.902 4.328 . 0 0 "[ . 1 . 2 . ]" 2
221 2 10 P5P H1' 2 10 P5P H2' . 2.015 3.742 2.752 2.716 2.769 . 0 0 "[ . 1 . 2 . ]" 2
222 2 10 P5P H1' 2 10 P5P H3' . 2.612 4.851 3.789 3.764 3.812 . 0 0 "[ . 1 . 2 . ]" 2
223 2 10 P5P H3' 2 10 P5P H8 . . 3.670 2.910 2.771 3.289 . 0 0 "[ . 1 . 2 . ]" 2
224 2 10 P5P H4' 2 10 P5P H8 . 2.560 4.754 4.364 4.213 4.401 . 0 0 "[ . 1 . 2 . ]" 2
225 2 10 P5P H1' 2 10 P5P H4' . 2.396 4.450 3.328 3.265 3.522 . 0 0 "[ . 1 . 2 . ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 15
_Distance_constraint_stats_list.Viol_count 1
_Distance_constraint_stats_list.Viol_total 0.011
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0004
_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 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 2 G 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 7 G 0.000 0.000 3 0 "[ . 1 . 2 . ]"
1 8 G 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 9 C 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 1 G 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 2 C 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 3 C 0.000 0.000 3 0 "[ . 1 . 2 . ]"
2 8 C 0.000 0.000 . 0 "[ . 1 . 2 . ]"
2 9 C 0.000 0.000 . 0 "[ . 1 . 2 . ]"
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 2 9 C N3 . . 2.500 1.968 1.951 1.975 . 0 0 "[ . 1 . 2 . ]" 3
2 1 1 G O6 2 9 C H41 . . 2.500 1.911 1.895 1.938 . 0 0 "[ . 1 . 2 . ]" 3
3 1 1 G H21 2 9 C O2 . . 2.500 1.861 1.839 1.870 . 0 0 "[ . 1 . 2 . ]" 3
4 1 2 G H1 2 8 C N3 . . 2.500 1.963 1.944 2.189 . 0 0 "[ . 1 . 2 . ]" 3
5 1 2 G O6 2 8 C H41 . . 2.500 2.017 1.959 2.462 . 0 0 "[ . 1 . 2 . ]" 3
6 1 2 G H21 2 8 C O2 . . 2.500 1.843 1.813 1.869 . 0 0 "[ . 1 . 2 . ]" 3
7 1 7 G H1 2 3 C N3 . . 2.500 1.965 1.947 1.982 . 0 0 "[ . 1 . 2 . ]" 3
8 1 7 G O6 2 3 C H41 . . 2.500 1.944 1.877 1.984 . 0 0 "[ . 1 . 2 . ]" 3
9 1 7 G H21 2 3 C O2 . . 2.500 1.836 1.800 2.017 0.000 3 0 "[ . 1 . 2 . ]" 3
10 1 8 G H1 2 2 C N3 . . 2.500 2.002 1.977 2.033 . 0 0 "[ . 1 . 2 . ]" 3
11 1 8 G O6 2 2 C H41 . . 2.500 1.961 1.917 1.990 . 0 0 "[ . 1 . 2 . ]" 3
12 1 8 G H21 2 2 C O2 . . 2.500 1.862 1.847 1.882 . 0 0 "[ . 1 . 2 . ]" 3
13 1 9 C N3 2 1 G H1 . . 2.500 1.971 1.957 1.994 . 0 0 "[ . 1 . 2 . ]" 3
14 1 9 C H41 2 1 G O6 . . 2.500 1.966 1.946 1.993 . 0 0 "[ . 1 . 2 . ]" 3
15 1 9 C O2 2 1 G H21 . . 2.500 1.847 1.826 1.857 . 0 0 "[ . 1 . 2 . ]" 3
stop_
save_