NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
631536 |
6ffr   |
34228 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6ffr
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 269
_Distance_constraint_stats_list.Viol_count 69
_Distance_constraint_stats_list.Viol_total 27.797
_Distance_constraint_stats_list.Viol_max 0.159
_Distance_constraint_stats_list.Viol_rms 0.0078
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0403
_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 DG 0.000 0.000 . 0 "[ . 1]"
1 2 DG 0.000 0.000 . 0 "[ . 1]"
1 3 DG 0.007 0.007 3 0 "[ . 1]"
1 4 DA 0.000 0.000 . 0 "[ . 1]"
1 5 DT 0.000 0.000 . 0 "[ . 1]"
1 6 DG 0.023 0.023 10 0 "[ . 1]"
1 7 DG 0.023 0.023 10 0 "[ . 1]"
1 8 DG 0.289 0.095 10 0 "[ . 1]"
1 9 DA 0.704 0.096 4 0 "[ . 1]"
1 10 DC 0.597 0.096 4 0 "[ . 1]"
1 11 DA 0.514 0.095 10 0 "[ . 1]"
1 12 DC 0.261 0.089 9 0 "[ . 1]"
1 13 DA 0.133 0.036 3 0 "[ . 1]"
1 14 DG 0.044 0.044 7 0 "[ . 1]"
1 15 DG 0.079 0.044 7 0 "[ . 1]"
1 16 DG 0.136 0.058 10 0 "[ . 1]"
1 17 DG 0.497 0.084 3 0 "[ . 1]"
1 18 DA 0.477 0.084 3 0 "[ . 1]"
1 19 DC 0.422 0.159 8 0 "[ . 1]"
1 20 DG 0.138 0.079 3 0 "[ . 1]"
1 21 DG 0.265 0.058 10 0 "[ . 1]"
1 22 DG 0.162 0.038 10 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 DG H1' 1 1 DG H8 4.000 2.500 5.500 3.676 3.503 3.842 . 0 0 "[ . 1]" 1
2 1 1 DG H2' 1 1 DG H8 4.000 2.500 5.500 4.145 3.502 4.483 . 0 0 "[ . 1]" 1
3 1 1 DG H3' 1 1 DG H8 2.900 . 4.000 3.467 3.039 3.941 . 0 0 "[ . 1]" 1
4 1 1 DG H4' 1 1 DG H8 5.500 4.000 7.000 4.349 4.174 4.683 . 0 0 "[ . 1]" 1
5 1 2 DG H1' 1 2 DG H8 4.000 2.500 5.500 3.900 3.870 3.914 . 0 0 "[ . 1]" 1
6 1 2 DG H2' 1 2 DG H8 2.900 . 4.000 2.414 2.238 2.553 . 0 0 "[ . 1]" 1
7 1 2 DG H2'' 1 2 DG H8 2.900 . 4.000 3.669 3.364 3.996 . 0 0 "[ . 1]" 1
8 1 2 DG H3' 1 2 DG H8 4.000 2.500 5.500 4.598 4.339 4.752 . 0 0 "[ . 1]" 1
9 1 2 DG H4' 1 2 DG H8 4.000 2.500 5.500 5.083 4.733 5.284 . 0 0 "[ . 1]" 1
10 1 3 DG H1' 1 3 DG H8 4.000 2.500 5.500 3.895 3.884 3.907 . 0 0 "[ . 1]" 1
11 1 3 DG H2' 1 3 DG H8 2.900 . 4.000 2.334 2.229 2.462 . 0 0 "[ . 1]" 1
12 1 3 DG H2'' 1 3 DG H8 2.900 . 4.000 3.704 3.601 3.809 . 0 0 "[ . 1]" 1
13 1 3 DG H3' 1 3 DG H8 4.000 2.500 5.500 4.409 4.183 4.574 . 0 0 "[ . 1]" 1
14 1 3 DG H4' 1 3 DG H8 5.500 4.000 7.000 5.005 4.905 5.099 . 0 0 "[ . 1]" 1
15 1 4 DA H1' 1 4 DA H8 2.900 . 4.000 3.887 3.848 3.915 . 0 0 "[ . 1]" 1
16 1 4 DA H2' 1 4 DA H8 2.900 . 4.000 2.272 2.182 2.639 . 0 0 "[ . 1]" 1
17 1 4 DA H2'' 1 4 DA H8 5.000 3.000 7.000 3.607 3.332 4.082 . 0 0 "[ . 1]" 1
18 1 4 DA H3' 1 4 DA H8 4.000 2.500 5.500 4.388 4.120 4.492 . 0 0 "[ . 1]" 1
19 1 4 DA H4' 1 4 DA H8 5.500 4.000 7.000 5.079 4.540 5.339 . 0 0 "[ . 1]" 1
20 1 5 DT H1' 1 5 DT H6 2.900 . 4.000 3.759 3.751 3.765 . 0 0 "[ . 1]" 1
21 1 5 DT H2' 1 5 DT H6 2.900 . 4.000 2.245 2.148 2.391 . 0 0 "[ . 1]" 1
22 1 5 DT H2'' 1 5 DT H6 5.000 3.000 7.000 3.634 3.486 3.776 . 0 0 "[ . 1]" 1
23 1 5 DT H3' 1 5 DT H6 4.000 2.500 5.500 4.241 4.126 4.471 . 0 0 "[ . 1]" 1
24 1 5 DT H4' 1 5 DT H6 4.000 2.500 5.500 4.712 4.562 4.862 . 0 0 "[ . 1]" 1
25 1 6 DG H1' 1 6 DG H8 4.000 2.500 5.500 3.906 3.874 3.915 . 0 0 "[ . 1]" 1
26 1 6 DG H2' 1 6 DG H8 2.900 . 4.000 2.353 2.164 2.493 . 0 0 "[ . 1]" 1
27 1 6 DG H2'' 1 6 DG H8 2.900 . 4.000 3.831 3.621 3.979 . 0 0 "[ . 1]" 1
28 1 6 DG H3' 1 6 DG H8 4.000 2.500 5.500 4.238 4.137 4.438 . 0 0 "[ . 1]" 1
29 1 6 DG H4' 1 6 DG H8 4.000 2.500 5.500 4.773 4.589 5.004 . 0 0 "[ . 1]" 1
30 1 7 DG H1' 1 7 DG H8 4.000 2.500 5.500 3.890 3.855 3.920 . 0 0 "[ . 1]" 1
31 1 7 DG H2' 1 7 DG H8 2.900 . 4.000 2.347 2.257 2.470 . 0 0 "[ . 1]" 1
32 1 7 DG H2'' 1 7 DG H8 2.900 . 4.000 3.475 3.238 3.747 . 0 0 "[ . 1]" 1
33 1 7 DG H3' 1 7 DG H8 5.500 4.000 7.000 4.589 4.190 4.726 . 0 0 "[ . 1]" 1
34 1 7 DG H4' 1 7 DG H8 5.000 3.000 7.000 5.247 5.104 5.361 . 0 0 "[ . 1]" 1
35 1 8 DG H1' 1 8 DG H8 4.000 2.500 5.500 3.899 3.890 3.909 . 0 0 "[ . 1]" 1
36 1 8 DG H2' 1 8 DG H8 2.900 . 4.000 2.428 2.277 2.586 . 0 0 "[ . 1]" 1
37 1 8 DG H2'' 1 8 DG H8 2.900 . 4.000 3.688 3.462 3.932 . 0 0 "[ . 1]" 1
38 1 8 DG H3' 1 8 DG H8 4.000 2.500 5.500 4.591 4.294 4.813 . 0 0 "[ . 1]" 1
39 1 8 DG H4' 1 8 DG H8 6.000 4.500 7.500 5.060 4.758 5.216 . 0 0 "[ . 1]" 1
40 1 9 DA H1' 1 9 DA H8 2.900 . 4.000 3.880 3.829 3.909 . 0 0 "[ . 1]" 1
41 1 9 DA H2' 1 9 DA H8 2.900 . 4.000 2.330 2.114 2.682 . 0 0 "[ . 1]" 1
42 1 9 DA H2'' 1 9 DA H8 2.900 . 4.000 3.682 3.341 4.064 0.064 9 0 "[ . 1]" 1
43 1 9 DA H3' 1 9 DA H8 4.000 2.500 5.500 4.341 4.120 4.556 . 0 0 "[ . 1]" 1
44 1 9 DA H4' 1 9 DA H8 5.000 3.000 7.000 5.014 4.601 5.333 . 0 0 "[ . 1]" 1
45 1 10 DC H1' 1 10 DC H6 4.000 2.500 5.500 3.716 3.557 3.755 . 0 0 "[ . 1]" 1
46 1 10 DC H2' 1 10 DC H6 2.900 . 4.000 2.369 2.071 3.533 . 0 0 "[ . 1]" 1
47 1 10 DC H2'' 1 10 DC H6 4.000 2.500 5.500 3.615 3.105 4.581 . 0 0 "[ . 1]" 1
48 1 10 DC H3' 1 10 DC H6 5.500 4.000 7.000 4.345 4.132 4.738 . 0 0 "[ . 1]" 1
49 1 10 DC H4' 1 10 DC H6 4.000 2.500 5.500 4.854 4.400 5.196 . 0 0 "[ . 1]" 1
50 1 11 DA H1' 1 11 DA H8 4.000 2.500 5.500 3.813 3.701 3.901 . 0 0 "[ . 1]" 1
51 1 11 DA H2' 1 11 DA H8 2.900 . 4.000 2.491 2.125 3.710 . 0 0 "[ . 1]" 1
52 1 11 DA H2'' 1 11 DA H8 4.000 2.500 5.500 3.769 3.063 4.791 . 0 0 "[ . 1]" 1
53 1 11 DA H3' 1 11 DA H8 4.000 2.500 5.500 4.124 2.882 4.892 . 0 0 "[ . 1]" 1
54 1 11 DA H4' 1 11 DA H8 4.000 2.500 5.500 5.012 4.071 5.499 . 0 0 "[ . 1]" 1
55 1 12 DC H1' 1 12 DC H6 2.900 . 4.000 2.621 2.231 3.383 . 0 0 "[ . 1]" 1
56 1 12 DC H2' 1 12 DC H6 5.500 4.000 7.000 4.206 4.057 4.491 . 0 0 "[ . 1]" 1
57 1 12 DC H2'' 1 12 DC H6 4.000 2.500 5.500 4.433 4.102 4.832 . 0 0 "[ . 1]" 1
58 1 12 DC H3' 1 12 DC H6 5.500 4.000 7.000 5.392 4.986 5.653 . 0 0 "[ . 1]" 1
59 1 13 DA H1' 1 13 DA H8 4.000 2.500 5.500 3.368 3.004 3.596 . 0 0 "[ . 1]" 1
60 1 13 DA H2' 1 13 DA H8 4.000 2.500 5.500 4.210 3.911 4.594 . 0 0 "[ . 1]" 1
61 1 13 DA H2'' 1 13 DA H8 5.000 3.000 7.000 4.870 4.796 4.900 . 0 0 "[ . 1]" 1
62 1 14 DG H1' 1 14 DG H8 2.900 . 4.000 2.488 2.433 2.516 . 0 0 "[ . 1]" 1
63 1 14 DG H2' 1 14 DG H8 5.500 4.000 7.000 4.629 4.562 4.668 . 0 0 "[ . 1]" 1
64 1 14 DG H2'' 1 14 DG H8 4.000 2.500 5.500 4.049 3.917 4.139 . 0 0 "[ . 1]" 1
65 1 14 DG H3' 1 14 DG H8 6.000 4.500 7.500 6.014 5.950 6.050 . 0 0 "[ . 1]" 1
66 1 15 DG H1' 1 15 DG H8 2.900 . 4.000 2.499 2.480 2.518 . 0 0 "[ . 1]" 1
67 1 15 DG H2' 1 15 DG H8 4.000 2.500 5.500 4.428 4.386 4.562 . 0 0 "[ . 1]" 1
68 1 15 DG H2'' 1 15 DG H8 4.000 2.500 5.500 3.876 3.818 4.208 . 0 0 "[ . 1]" 1
69 1 15 DG H3' 1 15 DG H8 6.000 4.500 7.500 5.971 5.916 6.106 . 0 0 "[ . 1]" 1
70 1 15 DG H4' 1 15 DG H8 4.000 2.500 5.500 5.026 4.907 5.535 0.035 7 0 "[ . 1]" 1
71 1 16 DG H1' 1 16 DG H8 2.900 . 4.000 2.510 2.486 2.555 . 0 0 "[ . 1]" 1
72 1 16 DG H2' 1 16 DG H8 5.500 4.000 7.000 4.711 4.447 4.812 . 0 0 "[ . 1]" 1
73 1 16 DG H2'' 1 16 DG H8 4.000 2.500 5.500 4.229 4.052 4.491 . 0 0 "[ . 1]" 1
74 1 16 DG H3' 1 16 DG H8 5.500 4.000 7.000 6.016 5.953 6.053 . 0 0 "[ . 1]" 1
75 1 16 DG H4' 1 16 DG H8 4.000 2.500 5.500 4.811 4.603 4.904 . 0 0 "[ . 1]" 1
76 1 17 DG H1' 1 17 DG H8 4.000 2.500 5.500 2.779 2.476 3.903 0.024 8 0 "[ . 1]" 1
77 1 17 DG H2' 1 17 DG H8 5.000 3.000 7.000 4.250 2.919 4.781 0.081 4 0 "[ . 1]" 1
78 1 17 DG H2'' 1 17 DG H8 5.000 3.000 7.000 4.058 3.851 4.282 . 0 0 "[ . 1]" 1
79 1 18 DA H1' 1 18 DA H8 4.000 2.500 5.500 3.894 3.771 3.935 . 0 0 "[ . 1]" 1
80 1 18 DA H2' 1 18 DA H8 2.900 . 4.000 2.474 2.191 3.532 . 0 0 "[ . 1]" 1
81 1 18 DA H2'' 1 18 DA H8 5.000 3.000 7.000 3.768 3.446 4.695 . 0 0 "[ . 1]" 1
82 1 18 DA H3' 1 18 DA H8 5.500 4.000 7.000 4.407 3.946 4.739 0.054 8 0 "[ . 1]" 1
83 1 18 DA H4' 1 18 DA H8 4.000 2.500 5.500 5.011 4.147 5.262 . 0 0 "[ . 1]" 1
84 1 19 DC H1' 1 19 DC H6 4.000 2.500 5.500 3.602 2.341 3.761 0.159 8 0 "[ . 1]" 1
85 1 19 DC H2' 1 19 DC H6 2.900 . 4.000 2.456 2.107 4.090 0.090 8 0 "[ . 1]" 1
86 1 19 DC H2'' 1 19 DC H6 4.000 2.500 5.500 3.799 3.556 4.185 . 0 0 "[ . 1]" 1
87 1 19 DC H3' 1 19 DC H6 4.000 2.500 5.500 3.054 2.454 5.441 0.046 7 0 "[ . 1]" 1
88 1 20 DG H1' 1 20 DG H8 4.000 2.500 5.500 3.822 3.767 3.876 . 0 0 "[ . 1]" 1
89 1 20 DG H2' 1 20 DG H8 2.900 . 4.000 2.125 2.058 2.216 . 0 0 "[ . 1]" 1
90 1 21 DG H1' 1 21 DG H8 4.000 2.500 5.500 3.893 3.877 3.912 . 0 0 "[ . 1]" 1
91 1 21 DG H2' 1 21 DG H8 2.900 . 4.000 2.341 2.285 2.487 . 0 0 "[ . 1]" 1
92 1 21 DG H2'' 1 21 DG H8 4.000 2.500 5.500 3.539 3.383 3.873 . 0 0 "[ . 1]" 1
93 1 21 DG H3' 1 21 DG H8 4.000 2.500 5.500 4.523 4.272 4.661 . 0 0 "[ . 1]" 1
94 1 21 DG H4' 1 21 DG H8 4.000 2.500 5.500 5.180 5.018 5.278 . 0 0 "[ . 1]" 1
95 1 22 DG H1' 1 22 DG H8 4.000 2.500 5.500 3.901 3.884 3.909 . 0 0 "[ . 1]" 1
96 1 22 DG H2' 1 22 DG H8 2.900 . 4.000 2.438 2.344 2.654 . 0 0 "[ . 1]" 1
97 1 22 DG H2'' 1 22 DG H8 2.900 . 4.000 3.809 3.708 4.009 0.009 2 0 "[ . 1]" 1
98 1 22 DG H3' 1 22 DG H8 4.000 2.500 5.500 4.469 4.218 4.621 . 0 0 "[ . 1]" 1
99 1 22 DG H4' 1 22 DG H8 5.500 4.000 7.000 4.946 4.822 5.031 . 0 0 "[ . 1]" 1
100 1 1 DG H1' 1 1 DG H2' 2.900 . 4.000 2.761 2.703 2.882 . 0 0 "[ . 1]" 1
101 1 2 DG H1' 1 2 DG H2' 2.900 . 4.000 3.051 3.027 3.056 . 0 0 "[ . 1]" 1
102 1 2 DG H1' 1 2 DG H2'' 2.900 . 4.000 2.399 2.337 2.414 . 0 0 "[ . 1]" 1
103 1 3 DG H1' 1 3 DG H2' 4.000 2.500 5.500 3.035 3.013 3.049 . 0 0 "[ . 1]" 1
104 1 3 DG H1' 1 3 DG H2'' 2.900 . 4.000 2.355 2.308 2.387 . 0 0 "[ . 1]" 1
105 1 4 DA H1' 1 4 DA H2' 4.000 2.500 5.500 3.033 3.006 3.048 . 0 0 "[ . 1]" 1
106 1 4 DA H1' 1 4 DA H2'' 2.900 . 4.000 2.348 2.315 2.380 . 0 0 "[ . 1]" 1
107 1 5 DT H1' 1 5 DT H2' 4.000 2.500 5.500 3.040 3.033 3.049 . 0 0 "[ . 1]" 1
108 1 5 DT H1' 1 5 DT H2'' 2.900 . 4.000 2.362 2.345 2.402 . 0 0 "[ . 1]" 1
109 1 6 DG H1' 1 6 DG H2' 2.900 . 4.000 3.016 3.002 3.044 . 0 0 "[ . 1]" 1
110 1 6 DG H1' 1 6 DG H2'' 2.900 . 4.000 2.324 2.302 2.387 . 0 0 "[ . 1]" 1
111 1 7 DG H1' 1 7 DG H2' 2.900 . 4.000 3.054 3.042 3.063 . 0 0 "[ . 1]" 1
112 1 7 DG H1' 1 7 DG H2'' 2.900 . 4.000 2.422 2.380 2.449 . 0 0 "[ . 1]" 1
113 1 8 DG H1' 1 8 DG H2' 2.900 . 4.000 3.044 3.017 3.056 . 0 0 "[ . 1]" 1
114 1 8 DG H1' 1 8 DG H2'' 2.900 . 4.000 2.399 2.322 2.437 . 0 0 "[ . 1]" 1
115 1 9 DA H1' 1 9 DA H2' 2.900 . 4.000 3.032 3.001 3.063 . 0 0 "[ . 1]" 1
116 1 9 DA H1' 1 9 DA H2'' 2.900 . 4.000 2.345 2.283 2.419 . 0 0 "[ . 1]" 1
117 1 10 DC H1' 1 10 DC H2' 2.900 . 4.000 3.044 3.032 3.061 . 0 0 "[ . 1]" 1
118 1 10 DC H1' 1 10 DC H2'' 2.900 . 4.000 2.369 2.352 2.404 . 0 0 "[ . 1]" 1
119 1 11 DA H1' 1 11 DA H2' 4.000 2.500 5.500 2.998 2.867 3.057 . 0 0 "[ . 1]" 1
120 1 11 DA H1' 1 11 DA H2'' 2.900 . 4.000 2.318 2.247 2.404 . 0 0 "[ . 1]" 1
121 1 12 DC H1' 1 12 DC H2' 4.000 2.500 5.500 2.915 2.849 3.031 . 0 0 "[ . 1]" 1
122 1 12 DC H1' 1 12 DC H2'' 2.900 . 4.000 2.256 2.223 2.372 . 0 0 "[ . 1]" 1
123 1 13 DA H1' 1 13 DA H2' 2.900 . 4.000 3.051 3.039 3.060 . 0 0 "[ . 1]" 1
124 1 13 DA H1' 1 13 DA H2'' 2.900 . 4.000 2.418 2.380 2.440 . 0 0 "[ . 1]" 1
125 1 14 DG H1' 1 14 DG H2' 4.000 2.500 5.500 3.041 3.037 3.045 . 0 0 "[ . 1]" 1
126 1 14 DG H1' 1 14 DG H2'' 2.900 . 4.000 2.402 2.372 2.445 . 0 0 "[ . 1]" 1
127 1 15 DG H1' 1 15 DG H2' 4.000 2.500 5.500 3.027 3.013 3.035 . 0 0 "[ . 1]" 1
128 1 15 DG H1' 1 15 DG H2'' 2.900 . 4.000 2.346 2.301 2.364 . 0 0 "[ . 1]" 1
129 1 16 DG H1' 1 16 DG H2' 2.900 . 4.000 3.041 3.013 3.055 . 0 0 "[ . 1]" 1
130 1 16 DG H1' 1 16 DG H2'' 2.900 . 4.000 2.400 2.293 2.440 . 0 0 "[ . 1]" 1
131 1 17 DG H1' 1 17 DG H2' 4.000 2.500 5.500 3.039 3.023 3.047 . 0 0 "[ . 1]" 1
132 1 17 DG H1' 1 17 DG H2'' 2.900 . 4.000 2.381 2.336 2.449 . 0 0 "[ . 1]" 1
133 1 18 DA H1' 1 18 DA H2' 2.900 . 4.000 3.042 2.996 3.064 . 0 0 "[ . 1]" 1
134 1 18 DA H1' 1 18 DA H2'' 2.900 . 4.000 2.376 2.309 2.416 . 0 0 "[ . 1]" 1
135 1 19 DC H1' 1 19 DC H2' 4.000 2.500 5.500 2.853 2.794 3.030 . 0 0 "[ . 1]" 1
136 1 19 DC H1' 1 19 DC H2'' 2.900 . 4.000 2.206 2.181 2.302 . 0 0 "[ . 1]" 1
137 1 20 DG H1' 1 20 DG H2' 4.000 2.500 5.500 3.024 3.009 3.038 . 0 0 "[ . 1]" 1
138 1 21 DG H1' 1 21 DG H2' 2.900 . 4.000 3.054 3.040 3.062 . 0 0 "[ . 1]" 1
139 1 21 DG H1' 1 21 DG H2'' 2.900 . 4.000 2.414 2.363 2.442 . 0 0 "[ . 1]" 1
140 1 22 DG H1' 1 22 DG H2' 2.900 . 4.000 3.043 3.030 3.055 . 0 0 "[ . 1]" 1
141 1 22 DG H1' 1 22 DG H2'' 2.900 . 4.000 2.380 2.340 2.409 . 0 0 "[ . 1]" 1
142 1 9 DA H2 1 9 DA H2' 6.000 4.500 7.500 6.774 6.326 7.047 . 0 0 "[ . 1]" 1
143 1 9 DA H2 1 9 DA H2'' 6.000 4.500 7.500 6.185 5.416 6.793 . 0 0 "[ . 1]" 1
144 1 11 DA H2 1 11 DA H2'' 6.000 4.500 7.500 6.329 4.803 7.009 . 0 0 "[ . 1]" 1
145 1 1 DG H1' 1 2 DG H8 4.000 2.500 5.500 5.214 5.074 5.433 . 0 0 "[ . 1]" 1
146 1 1 DG H2' 1 2 DG H8 2.900 . 4.000 2.789 2.432 3.013 . 0 0 "[ . 1]" 1
147 1 1 DG H3' 1 2 DG H8 2.900 . 4.000 3.176 2.626 3.902 . 0 0 "[ . 1]" 1
148 1 1 DG H4' 1 2 DG H8 5.500 4.000 7.000 5.879 5.552 6.266 . 0 0 "[ . 1]" 1
149 1 1 DG H8 1 2 DG H8 4.000 2.500 5.500 4.882 4.460 5.240 . 0 0 "[ . 1]" 1
150 1 2 DG H1' 1 3 DG H8 4.000 2.500 5.500 3.351 2.791 3.824 . 0 0 "[ . 1]" 1
151 1 2 DG H2' 1 3 DG H8 5.000 3.000 7.000 4.069 3.659 4.264 . 0 0 "[ . 1]" 1
152 1 2 DG H2'' 1 3 DG H8 2.900 . 4.000 2.346 2.237 2.483 . 0 0 "[ . 1]" 1
153 1 2 DG H3' 1 3 DG H8 5.000 3.000 7.000 4.520 4.116 4.852 . 0 0 "[ . 1]" 1
154 1 3 DG H1' 1 4 DA H8 6.000 4.500 7.500 6.743 6.351 7.115 . 0 0 "[ . 1]" 1
155 1 3 DG H3' 1 4 DA H8 4.000 2.500 5.500 3.441 2.940 4.971 . 0 0 "[ . 1]" 1
156 1 3 DG H4' 1 4 DA H8 5.000 3.000 7.000 4.749 3.509 5.363 . 0 0 "[ . 1]" 1
157 1 4 DA H2' 1 5 DT H6 5.000 3.000 7.000 5.267 4.530 5.667 . 0 0 "[ . 1]" 1
158 1 4 DA H2'' 1 5 DT H6 5.000 3.000 7.000 5.388 3.902 6.020 . 0 0 "[ . 1]" 1
159 1 4 DA H3' 1 5 DT H6 4.000 2.500 5.500 3.199 2.576 3.779 . 0 0 "[ . 1]" 1
160 1 4 DA H4' 1 5 DT H6 4.000 2.500 5.500 4.702 3.016 5.201 . 0 0 "[ . 1]" 1
161 1 5 DT H1' 1 6 DG H8 4.000 2.500 5.500 3.474 3.073 5.021 . 0 0 "[ . 1]" 1
162 1 5 DT H2' 1 6 DG H8 5.000 3.000 7.000 5.554 3.692 6.156 . 0 0 "[ . 1]" 1
163 1 5 DT H2'' 1 6 DG H8 5.000 3.000 7.000 4.150 3.142 4.663 . 0 0 "[ . 1]" 1
164 1 5 DT H4' 1 6 DG H8 6.000 4.500 7.500 5.519 4.988 5.768 . 0 0 "[ . 1]" 1
165 1 6 DG H1' 1 7 DG H8 2.900 . 4.000 3.717 3.625 3.805 . 0 0 "[ . 1]" 1
166 1 6 DG H2' 1 7 DG H8 2.900 . 4.000 3.248 3.053 3.605 . 0 0 "[ . 1]" 1
167 1 6 DG H2'' 1 7 DG H8 2.900 . 4.000 2.474 2.285 2.957 . 0 0 "[ . 1]" 1
168 1 6 DG H3' 1 7 DG H8 4.000 2.500 5.500 5.004 4.776 5.523 0.023 10 0 "[ . 1]" 1
169 1 6 DG H4' 1 7 DG H8 5.000 3.000 7.000 6.389 6.143 6.650 . 0 0 "[ . 1]" 1
170 1 6 DG H8 1 7 DG H8 4.000 2.500 5.500 4.432 3.986 4.764 . 0 0 "[ . 1]" 1
171 1 7 DG H1' 1 8 DG H8 2.900 . 4.000 3.275 2.943 3.657 . 0 0 "[ . 1]" 1
172 1 7 DG H2' 1 8 DG H8 4.000 2.500 5.500 3.972 3.717 4.189 . 0 0 "[ . 1]" 1
173 1 7 DG H2'' 1 8 DG H8 2.900 . 4.000 2.328 2.250 2.533 . 0 0 "[ . 1]" 1
174 1 7 DG H3' 1 8 DG H8 4.000 2.500 5.500 4.774 4.342 5.263 . 0 0 "[ . 1]" 1
175 1 7 DG H4' 1 8 DG H8 6.000 4.500 7.500 5.490 4.986 6.061 . 0 0 "[ . 1]" 1
176 1 7 DG H8 1 8 DG H8 4.000 2.500 5.500 4.989 4.740 5.400 . 0 0 "[ . 1]" 1
177 1 8 DG H1' 1 9 DA H8 5.500 4.000 7.000 4.973 4.394 5.658 . 0 0 "[ . 1]" 1
178 1 8 DG H2' 1 9 DA H8 4.000 2.500 5.500 3.751 2.807 4.583 . 0 0 "[ . 1]" 1
179 1 8 DG H2'' 1 9 DA H8 2.900 . 4.000 2.846 2.198 3.380 . 0 0 "[ . 1]" 1
180 1 8 DG H3' 1 9 DA H8 5.000 3.000 7.000 4.176 3.495 5.133 . 0 0 "[ . 1]" 1
181 1 8 DG H4' 1 9 DA H8 5.000 3.000 7.000 6.318 5.934 6.790 . 0 0 "[ . 1]" 1
182 1 8 DG H8 1 9 DA H8 5.500 4.000 7.000 5.569 4.288 6.672 . 0 0 "[ . 1]" 1
183 1 9 DA H1' 1 10 DC H6 5.500 4.000 7.000 4.134 3.936 4.434 0.064 3 0 "[ . 1]" 1
184 1 9 DA H2' 1 10 DC H6 5.500 4.000 7.000 4.796 3.928 6.007 0.072 2 0 "[ . 1]" 1
185 1 9 DA H2'' 1 10 DC H6 4.000 2.500 5.500 3.744 2.584 5.596 0.096 4 0 "[ . 1]" 1
186 1 9 DA H3' 1 10 DC H6 4.000 2.500 5.500 5.029 4.444 5.394 . 0 0 "[ . 1]" 1
187 1 10 DC H2' 1 11 DA H8 5.500 4.000 7.000 6.449 5.843 7.003 0.003 1 0 "[ . 1]" 1
188 1 10 DC H2'' 1 11 DA H8 5.500 4.000 7.000 6.059 4.850 6.992 . 0 0 "[ . 1]" 1
189 1 10 DC H3' 1 11 DA H8 5.500 4.000 7.000 5.828 4.221 7.062 0.062 4 0 "[ . 1]" 1
190 1 11 DA H2' 1 12 DC H6 6.000 4.500 7.500 5.586 5.128 5.987 . 0 0 "[ . 1]" 1
191 1 11 DA H2'' 1 12 DC H6 5.500 4.000 7.000 4.389 4.041 4.827 . 0 0 "[ . 1]" 1
192 1 11 DA H3' 1 12 DC H6 5.500 4.000 7.000 6.617 5.656 7.028 0.028 3 0 "[ . 1]" 1
193 1 11 DA H4' 1 12 DC H6 6.000 4.500 7.500 6.183 5.447 7.092 . 0 0 "[ . 1]" 1
194 1 12 DC H1' 1 13 DA H8 4.000 2.500 5.500 3.017 2.474 4.647 0.026 10 0 "[ . 1]" 1
195 1 12 DC H2' 1 13 DA H8 4.000 2.500 5.500 4.546 3.501 5.390 . 0 0 "[ . 1]" 1
196 1 12 DC H2'' 1 13 DA H8 4.000 2.500 5.500 3.382 2.485 4.762 0.015 3 0 "[ . 1]" 1
197 1 12 DC H3' 1 13 DA H8 6.000 4.500 7.500 5.843 5.431 6.870 . 0 0 "[ . 1]" 1
198 1 13 DA H1' 1 14 DG H8 5.500 4.000 7.000 5.174 4.078 6.221 . 0 0 "[ . 1]" 1
199 1 14 DG H8 1 15 DG H1' 5.500 4.000 7.000 4.267 4.039 5.073 . 0 0 "[ . 1]" 1
200 1 14 DG H1' 1 15 DG H8 5.500 4.000 7.000 6.533 6.113 7.044 0.044 7 0 "[ . 1]" 1
201 1 15 DG H8 1 16 DG H8 4.000 2.500 5.500 4.653 4.191 5.047 . 0 0 "[ . 1]" 1
202 1 16 DG H1' 1 17 DG H8 6.000 4.500 7.500 6.477 5.367 7.404 . 0 0 "[ . 1]" 1
203 1 16 DG H2' 1 17 DG H8 5.000 3.000 7.000 5.634 3.262 6.989 . 0 0 "[ . 1]" 1
204 1 16 DG H2'' 1 17 DG H8 5.000 3.000 7.000 5.223 3.310 6.259 . 0 0 "[ . 1]" 1
205 1 17 DG H1' 1 18 DA H8 4.000 2.500 5.500 4.562 2.807 5.343 . 0 0 "[ . 1]" 1
206 1 17 DG H2' 1 18 DA H8 5.000 3.000 7.000 4.159 3.603 5.636 . 0 0 "[ . 1]" 1
207 1 17 DG H2'' 1 18 DA H8 5.000 3.000 7.000 3.311 2.916 5.135 0.084 3 0 "[ . 1]" 1
208 1 18 DA H2' 1 19 DC H6 5.000 3.000 7.000 6.513 6.033 6.756 . 0 0 "[ . 1]" 1
209 1 18 DA H2'' 1 19 DC H6 5.000 3.000 7.000 5.802 4.892 6.261 . 0 0 "[ . 1]" 1
210 1 19 DC H1' 1 20 DG H8 5.500 4.000 7.000 4.833 4.288 5.217 . 0 0 "[ . 1]" 1
211 1 19 DC H2' 1 20 DG H8 2.900 . 4.000 3.186 2.990 3.675 . 0 0 "[ . 1]" 1
212 1 19 DC H2'' 1 20 DG H8 2.900 . 4.000 3.191 2.678 3.702 . 0 0 "[ . 1]" 1
213 1 19 DC H3' 1 20 DG H8 6.000 4.500 7.500 4.917 4.762 5.037 . 0 0 "[ . 1]" 1
214 1 19 DC H6 1 20 DG H8 4.000 2.500 5.500 5.163 4.771 5.534 0.034 8 0 "[ . 1]" 1
215 1 20 DG H1' 1 21 DG H8 2.900 . 4.000 3.224 2.883 3.553 . 0 0 "[ . 1]" 1
216 1 20 DG H2' 1 21 DG H8 4.000 2.500 5.500 4.213 3.977 4.669 . 0 0 "[ . 1]" 1
217 1 20 DG H8 1 21 DG H8 4.000 2.500 5.500 4.322 3.996 4.766 . 0 0 "[ . 1]" 1
218 1 21 DG H1' 1 22 DG H8 2.900 . 4.000 3.207 2.626 3.699 . 0 0 "[ . 1]" 1
219 1 21 DG H2' 1 22 DG H8 2.900 . 4.000 3.938 3.526 4.038 0.038 10 0 "[ . 1]" 1
220 1 21 DG H2'' 1 22 DG H8 2.900 . 4.000 2.280 2.232 2.422 . 0 0 "[ . 1]" 1
221 1 21 DG H3' 1 22 DG H8 4.000 2.500 5.500 4.638 4.137 5.213 . 0 0 "[ . 1]" 1
222 1 21 DG H4' 1 22 DG H8 6.000 4.500 7.500 5.274 4.573 5.768 . 0 0 "[ . 1]" 1
223 1 1 DG H1 1 2 DG H1 4.000 2.800 5.200 3.580 3.368 3.732 . 0 0 "[ . 1]" 1
224 1 2 DG H1 1 3 DG H1 4.000 2.800 5.200 3.534 3.380 3.736 . 0 0 "[ . 1]" 1
225 1 6 DG H1 1 7 DG H1 4.000 2.800 5.200 3.499 3.373 3.714 . 0 0 "[ . 1]" 1
226 1 7 DG H1 1 8 DG H1 4.000 2.800 5.200 3.571 3.389 3.753 . 0 0 "[ . 1]" 1
227 1 14 DG H1 1 15 DG H1 4.000 2.800 5.200 3.676 3.541 3.724 . 0 0 "[ . 1]" 1
228 1 15 DG H1 1 16 DG H1 4.000 2.800 5.200 3.370 3.245 3.564 . 0 0 "[ . 1]" 1
229 1 20 DG H1 1 21 DG H1 4.000 2.800 5.200 3.385 3.271 3.500 . 0 0 "[ . 1]" 1
230 1 1 DG H8 1 16 DG H1 6.000 4.800 7.200 5.318 5.216 5.535 . 0 0 "[ . 1]" 1
231 1 2 DG H8 1 15 DG H1 5.000 3.800 6.200 5.005 4.806 5.156 . 0 0 "[ . 1]" 1
232 1 3 DG H8 1 14 DG H1 5.000 3.800 6.200 5.309 5.199 5.449 . 0 0 "[ . 1]" 1
233 1 1 DG H1 1 6 DG H8 5.000 3.800 6.200 5.311 5.113 5.522 . 0 0 "[ . 1]" 1
234 1 2 DG H1 1 7 DG H8 5.000 3.800 6.200 5.115 4.972 5.242 . 0 0 "[ . 1]" 1
235 1 3 DG H1 1 8 DG H8 5.000 3.800 6.200 5.399 5.212 5.618 . 0 0 "[ . 1]" 1
236 1 14 DG H8 1 22 DG H1 5.000 3.800 6.200 5.242 5.130 5.331 . 0 0 "[ . 1]" 1
237 1 15 DG H8 1 21 DG H1 5.000 3.800 6.200 5.012 4.955 5.105 . 0 0 "[ . 1]" 1
238 1 16 DG H8 1 20 DG H1 5.000 3.800 6.200 5.268 5.042 5.379 . 0 0 "[ . 1]" 1
239 1 6 DG H1 1 20 DG H8 5.000 3.800 6.200 5.321 5.182 5.413 . 0 0 "[ . 1]" 1
240 1 7 DG H1 1 21 DG H8 5.000 3.800 6.200 4.896 4.694 5.008 . 0 0 "[ . 1]" 1
241 1 8 DG H1 1 22 DG H8 5.000 3.800 6.200 5.388 5.299 5.472 . 0 0 "[ . 1]" 1
242 1 2 DG H1 1 6 DG H8 5.000 3.800 6.200 5.266 4.878 5.582 . 0 0 "[ . 1]" 1
243 1 16 DG H8 1 21 DG H1 5.000 3.800 6.200 6.096 5.907 6.258 0.058 10 0 "[ . 1]" 1
244 1 7 DG H1 1 20 DG H8 5.000 3.800 6.200 5.375 5.182 5.566 . 0 0 "[ . 1]" 1
245 1 8 DG H1 1 21 DG H8 6.000 4.800 7.200 5.260 5.006 5.621 . 0 0 "[ . 1]" 1
246 1 3 DG H1 1 11 DA H2 6.000 4.800 7.200 6.237 5.715 6.832 . 0 0 "[ . 1]" 1
247 1 8 DG H1 1 11 DA H2 4.000 2.800 5.200 4.281 3.009 5.202 0.002 8 0 "[ . 1]" 1
248 1 11 DA H2 1 22 DG H1 6.000 4.800 7.200 6.596 5.645 7.224 0.024 5 0 "[ . 1]" 1
249 1 3 DG H1 1 13 DA H2 5.000 3.800 6.200 5.430 4.550 6.085 . 0 0 "[ . 1]" 1
250 1 13 DA H2 1 14 DG H1 5.000 3.800 6.200 4.473 3.826 5.549 . 0 0 "[ . 1]" 1
251 1 13 DA H8 1 14 DG H1 5.000 3.800 6.200 5.014 3.979 5.765 . 0 0 "[ . 1]" 1
252 1 6 DG H1 1 19 DC H5 4.000 2.800 5.200 3.044 2.813 3.321 . 0 0 "[ . 1]" 1
253 1 8 DG H1 1 12 DC H5 6.000 4.800 7.200 6.357 5.467 7.104 . 0 0 "[ . 1]" 1
254 1 13 DA H1' 1 14 DG H1 5.000 3.800 6.200 4.568 3.865 5.718 . 0 0 "[ . 1]" 1
255 1 18 DA H1' 1 20 DG H1 6.000 4.800 7.200 7.012 6.790 7.279 0.079 3 0 "[ . 1]" 1
256 1 19 DC H5 1 20 DG H1 6.000 4.800 7.200 5.287 4.776 5.715 0.024 8 0 "[ . 1]" 1
257 1 12 DC H1' 1 22 DG H1 6.000 4.800 7.200 5.798 5.176 6.597 . 0 0 "[ . 1]" 1
258 1 9 DA H2 1 10 DC H1' 6.000 4.500 7.500 6.422 4.472 7.223 0.028 5 0 "[ . 1]" 1
259 1 11 DA H2 1 12 DC H5 4.000 2.500 5.500 4.426 3.117 5.589 0.089 9 0 "[ . 1]" 1
260 1 9 DA H3' 1 11 DA H2 5.500 4.000 7.000 6.257 5.603 6.923 . 0 0 "[ . 1]" 1
261 1 8 DG H8 1 11 DA H2 5.500 4.000 7.000 6.773 6.224 7.095 0.095 10 0 "[ . 1]" 1
262 1 3 DG H1' 1 13 DA H2 6.000 4.500 7.500 5.055 4.493 5.826 0.007 3 0 "[ . 1]" 1
263 1 3 DG H8 1 13 DA H2 4.000 2.500 5.500 3.819 3.578 4.123 . 0 0 "[ . 1]" 1
264 1 3 DG H2' 1 13 DA H2 4.000 2.500 5.500 4.293 3.628 4.698 . 0 0 "[ . 1]" 1
265 1 3 DG H2'' 1 13 DA H2 4.000 2.500 5.500 4.281 3.329 5.181 . 0 0 "[ . 1]" 1
266 1 3 DG H3' 1 13 DA H2 5.500 4.000 7.000 6.490 5.715 6.900 . 0 0 "[ . 1]" 1
267 1 12 DC H1' 1 13 DA H2 5.500 4.000 7.000 6.633 4.623 7.036 0.036 3 0 "[ . 1]" 1
268 1 1 DG H2' 1 18 DA H2 5.500 4.000 7.000 6.558 5.805 6.963 . 0 0 "[ . 1]" 1
269 1 18 DA H2 1 19 DC H5 5.500 4.000 7.000 4.749 3.971 6.369 0.029 5 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 48
_Distance_constraint_stats_list.Viol_count 105
_Distance_constraint_stats_list.Viol_total 11.285
_Distance_constraint_stats_list.Viol_max 0.035
_Distance_constraint_stats_list.Viol_rms 0.0056
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0024
_Distance_constraint_stats_list.Viol_average_violations_only 0.0107
_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 DG 0.291 0.025 7 0 "[ . 1]"
1 2 DG 0.090 0.035 1 0 "[ . 1]"
1 3 DG 0.225 0.021 5 0 "[ . 1]"
1 6 DG 0.321 0.022 10 0 "[ . 1]"
1 7 DG 0.163 0.035 1 0 "[ . 1]"
1 8 DG 0.280 0.031 9 0 "[ . 1]"
1 14 DG 0.160 0.021 5 0 "[ . 1]"
1 15 DG 0.022 0.008 2 0 "[ . 1]"
1 16 DG 0.182 0.025 7 0 "[ . 1]"
1 20 DG 0.213 0.020 6 0 "[ . 1]"
1 21 DG 0.095 0.021 6 0 "[ . 1]"
1 22 DG 0.215 0.031 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 DG H21 1 6 DG N7 1.990 . 2.090 1.971 1.918 1.986 . 0 0 "[ . 1]" 2
2 1 1 DG N2 1 6 DG N7 2.900 2.800 3.000 2.962 2.923 2.978 . 0 0 "[ . 1]" 2
3 1 1 DG H1 1 6 DG O6 1.950 . 2.050 1.852 1.828 1.876 0.022 10 0 "[ . 1]" 2
4 1 1 DG N1 1 6 DG O6 2.950 2.850 3.050 2.841 2.830 2.852 0.020 10 0 "[ . 1]" 2
5 1 6 DG H21 1 20 DG N7 1.990 . 2.090 1.991 1.899 2.036 . 0 0 "[ . 1]" 2
6 1 6 DG N2 1 20 DG N7 2.900 2.800 3.000 2.976 2.893 3.018 0.018 5 0 "[ . 1]" 2
7 1 6 DG H1 1 20 DG O6 1.950 . 2.050 1.860 1.832 1.925 0.018 10 0 "[ . 1]" 2
8 1 6 DG N1 1 20 DG O6 2.950 2.850 3.050 2.848 2.830 2.920 0.020 6 0 "[ . 1]" 2
9 1 16 DG N7 1 20 DG H21 1.990 . 2.090 1.918 1.875 1.949 0.015 8 0 "[ . 1]" 2
10 1 16 DG N7 1 20 DG N2 2.900 2.800 3.000 2.903 2.874 2.924 . 0 0 "[ . 1]" 2
11 1 16 DG O6 1 20 DG H1 1.950 . 2.050 1.887 1.842 1.957 0.008 9 0 "[ . 1]" 2
12 1 16 DG O6 1 20 DG N1 2.950 2.850 3.050 2.884 2.846 2.939 0.004 9 0 "[ . 1]" 2
13 1 1 DG N7 1 16 DG H21 1.990 . 2.090 1.946 1.895 1.992 . 0 0 "[ . 1]" 2
14 1 1 DG N7 1 16 DG N2 2.900 2.800 3.000 2.931 2.889 2.962 . 0 0 "[ . 1]" 2
15 1 1 DG O6 1 16 DG H1 1.950 . 2.050 1.852 1.826 1.885 0.024 8 0 "[ . 1]" 2
16 1 1 DG O6 1 16 DG N1 2.950 2.850 3.050 2.848 2.825 2.882 0.025 7 0 "[ . 1]" 2
17 1 2 DG H21 1 7 DG N7 1.990 . 2.090 1.890 1.855 1.935 0.035 1 0 "[ . 1]" 2
18 1 2 DG N2 1 7 DG N7 2.900 2.800 3.000 2.885 2.853 2.928 . 0 0 "[ . 1]" 2
19 1 2 DG H1 1 7 DG O6 1.950 . 2.050 1.892 1.855 1.945 . 0 0 "[ . 1]" 2
20 1 2 DG N1 1 7 DG O6 2.950 2.850 3.050 2.874 2.849 2.898 0.001 5 0 "[ . 1]" 2
21 1 7 DG H21 1 21 DG N7 1.990 . 2.090 1.888 1.869 1.917 0.021 6 0 "[ . 1]" 2
22 1 7 DG N2 1 21 DG N7 2.900 2.800 3.000 2.888 2.863 2.917 . 0 0 "[ . 1]" 2
23 1 7 DG H1 1 21 DG O6 1.950 . 2.050 1.970 1.926 2.033 . 0 0 "[ . 1]" 2
24 1 7 DG N1 1 21 DG O6 2.950 2.850 3.050 2.924 2.881 2.961 . 0 0 "[ . 1]" 2
25 1 15 DG N7 1 21 DG H21 1.990 . 2.090 1.899 1.882 1.916 0.008 2 0 "[ . 1]" 2
26 1 15 DG N7 1 21 DG N2 2.900 2.800 3.000 2.906 2.890 2.922 . 0 0 "[ . 1]" 2
27 1 15 DG O6 1 21 DG H1 1.950 . 2.050 1.910 1.884 1.929 . 0 0 "[ . 1]" 2
28 1 15 DG O6 1 21 DG N1 2.950 2.850 3.050 2.881 2.851 2.912 . 0 0 "[ . 1]" 2
29 1 2 DG N7 1 15 DG H21 1.990 . 2.090 1.911 1.886 1.965 0.004 7 0 "[ . 1]" 2
30 1 2 DG N7 1 15 DG N2 2.900 2.800 3.000 2.920 2.897 2.973 . 0 0 "[ . 1]" 2
31 1 2 DG O6 1 15 DG H1 1.950 . 2.050 1.908 1.866 2.021 . 0 0 "[ . 1]" 2
32 1 2 DG O6 1 15 DG N1 2.950 2.850 3.050 2.877 2.844 2.973 0.006 9 0 "[ . 1]" 2
33 1 3 DG H21 1 8 DG N7 1.990 . 2.090 1.977 1.924 2.016 . 0 0 "[ . 1]" 2
34 1 3 DG N2 1 8 DG N7 2.900 2.800 3.000 2.953 2.924 2.986 . 0 0 "[ . 1]" 2
35 1 3 DG H1 1 8 DG O6 1.950 . 2.050 1.872 1.839 1.922 0.011 1 0 "[ . 1]" 2
36 1 3 DG N1 1 8 DG O6 2.950 2.850 3.050 2.859 2.829 2.912 0.021 9 0 "[ . 1]" 2
37 1 8 DG H21 1 22 DG N7 1.990 . 2.090 1.962 1.907 2.031 . 0 0 "[ . 1]" 2
38 1 8 DG N2 1 22 DG N7 2.900 2.800 3.000 2.936 2.882 2.979 . 0 0 "[ . 1]" 2
39 1 8 DG H1 1 22 DG O6 1.950 . 2.050 1.849 1.819 1.881 0.031 9 0 "[ . 1]" 2
40 1 8 DG N1 1 22 DG O6 2.950 2.850 3.050 2.844 2.820 2.867 0.030 9 0 "[ . 1]" 2
41 1 14 DG N7 1 22 DG H21 1.990 . 2.090 1.941 1.884 2.018 0.006 7 0 "[ . 1]" 2
42 1 14 DG N7 1 22 DG N2 2.900 2.800 3.000 2.924 2.875 2.966 . 0 0 "[ . 1]" 2
43 1 14 DG O6 1 22 DG H1 1.950 . 2.050 1.888 1.845 1.941 0.005 5 0 "[ . 1]" 2
44 1 14 DG O6 1 22 DG N1 2.950 2.850 3.050 2.883 2.845 2.942 0.005 5 0 "[ . 1]" 2
45 1 3 DG N7 1 14 DG H21 1.990 . 2.090 1.976 1.949 1.992 . 0 0 "[ . 1]" 2
46 1 3 DG N7 1 14 DG N2 2.900 2.800 3.000 2.969 2.942 2.993 . 0 0 "[ . 1]" 2
47 1 3 DG O6 1 14 DG H1 1.950 . 2.050 1.849 1.835 1.870 0.015 2 0 "[ . 1]" 2
48 1 3 DG O6 1 14 DG N1 2.950 2.850 3.050 2.843 2.829 2.867 0.021 5 0 "[ . 1]" 2
stop_
save_
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