NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
389683 |
1ntt   |
5777 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ntt
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 125
_Distance_constraint_stats_list.Viol_count 11
_Distance_constraint_stats_list.Viol_total 3.365
_Distance_constraint_stats_list.Viol_max 0.613
_Distance_constraint_stats_list.Viol_rms 0.1003
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0269
_Distance_constraint_stats_list.Viol_average_violations_only 0.3059
_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 A 0.086 0.086 1 0 "[ ]"
1 2 A 0.321 0.234 1 0 "[ ]"
1 3 A 0.572 0.337 1 0 "[ ]"
1 4 G 0.337 0.337 1 0 "[ ]"
1 5 G 0.515 0.515 1 1 [+]
1 6 A 0.607 0.515 1 1 [+]
1 7 G 0.227 0.135 1 0 "[ ]"
1 8 G 0.502 0.367 1 0 "[ ]"
1 9 A 0.367 0.367 1 0 "[ ]"
2 1 DC 0.613 0.613 1 1 [+]
2 2 5PC 0.613 0.613 1 1 [+]
2 3 PDU 0.220 0.220 1 0 "[ ]"
2 4 5PC 0.220 0.220 1 0 "[ ]"
2 5 5PC 0.464 0.464 1 0 "[ ]"
2 6 PDU 0.301 0.301 1 0 "[ ]"
2 7 PDU 0.301 0.301 1 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 2 1 DC H1' 2 1 DC H6 . 2.826 5.248 3.773 3.773 3.773 . 0 0 "[ ]" 1
2 2 1 DC H3' 2 1 DC H6 . 2.688 4.993 3.068 3.068 3.068 . 0 0 "[ ]" 1
3 2 1 DC H3' 2 2 5PC H6 . 2.338 4.343 2.899 2.899 2.899 . 0 0 "[ ]" 1
4 2 1 DC H1' 2 1 DC H4' . 2.419 4.493 3.328 3.328 3.328 . 0 0 "[ ]" 1
5 1 1 A H2 1 2 A H1' . 2.379 4.418 3.777 3.777 3.777 . 0 0 "[ ]" 1
6 2 1 DC H1' 2 2 5PC H6 . 2.424 4.501 5.114 5.114 5.114 0.613 1 1 [+] 1
7 1 1 A H1' 1 1 A H8 . 2.261 4.198 3.657 3.657 3.657 . 0 0 "[ ]" 1
8 1 1 A H2' 1 1 A H8 . 2.492 4.628 4.261 4.261 4.261 . 0 0 "[ ]" 1
9 1 1 A H3' 1 1 A H8 . 2.478 4.602 3.706 3.706 3.706 . 0 0 "[ ]" 1
10 2 2 5PC H1' 2 2 5PC H6 . 2.171 4.031 3.798 3.798 3.798 . 0 0 "[ ]" 1
11 1 1 A H1' 1 1 A H2' . . 3.679 2.852 2.852 2.852 . 0 0 "[ ]" 1
12 1 1 A H1' 1 1 A H3' . 2.461 4.571 3.898 3.898 3.898 . 0 0 "[ ]" 1
13 2 2 5PC H1' 2 2 5PC H4' . 2.694 5.002 3.149 3.149 3.149 . 0 0 "[ ]" 1
14 1 1 A H1' 1 2 A H8 . 2.831 5.258 5.344 5.344 5.344 0.086 1 0 "[ ]" 1
15 2 2 5PC H3' 2 2 5PC H6 . 2.200 4.085 3.288 3.288 3.288 . 0 0 "[ ]" 1
16 1 1 A H3' 1 2 A H8 . 2.218 4.120 2.446 2.446 2.446 . 0 0 "[ ]" 1
17 2 2 5PC H4' 2 2 5PC H6 . 2.623 4.871 4.382 4.382 4.382 . 0 0 "[ ]" 1
18 1 1 A H1' 1 1 A H4' . 2.415 4.484 3.257 3.257 3.257 . 0 0 "[ ]" 1
19 2 3 PDU H1' 2 3 PDU H6 . 2.582 4.794 3.787 3.787 3.787 . 0 0 "[ ]" 1
20 2 3 PDU H4' 2 3 PDU H6 . 2.812 5.223 4.323 4.323 4.323 . 0 0 "[ ]" 1
21 1 1 A H2' 1 2 A H8 . 2.080 3.862 2.723 2.723 2.723 . 0 0 "[ ]" 1
22 1 2 A H1' 1 2 A H8 . 2.792 5.186 3.848 3.848 3.848 . 0 0 "[ ]" 1
23 1 2 A H1' 1 2 A H2' . 2.613 4.852 2.784 2.784 2.784 . 0 0 "[ ]" 1
24 1 2 A H2' 1 3 A H8 . 2.449 4.548 2.215 2.215 2.215 0.234 1 0 "[ ]" 1
25 2 3 PDU H3' 2 3 PDU H6 . 2.490 4.625 2.845 2.845 2.845 . 0 0 "[ ]" 1
26 1 2 A H3' 1 2 A H8 . 2.174 4.037 2.855 2.855 2.855 . 0 0 "[ ]" 1
27 2 3 PDU H1' 2 3 PDU H3' . 2.963 5.502 3.910 3.910 3.910 . 0 0 "[ ]" 1
28 2 3 PDU H3' 2 4 5PC H6 . 2.523 4.685 3.881 3.881 3.881 . 0 0 "[ ]" 1
29 2 3 PDU H1' 2 3 PDU H4' . 2.196 4.077 3.158 3.158 3.158 . 0 0 "[ ]" 1
30 1 3 A H2 2 7 PDU H1' . 2.959 5.495 4.232 4.232 4.232 . 0 0 "[ ]" 1
31 2 4 5PC H1' 2 4 5PC H6 . 2.668 4.954 3.842 3.842 3.842 . 0 0 "[ ]" 1
32 1 2 A H1' 1 3 A H8 . 2.969 5.513 4.790 4.790 4.790 . 0 0 "[ ]" 1
33 1 3 A H1' 1 3 A H8 . 3.048 5.661 3.818 3.818 3.818 . 0 0 "[ ]" 1
34 1 3 A H2' 1 3 A H8 . 2.754 5.114 3.878 3.878 3.878 . 0 0 "[ ]" 1
35 1 3 A H3' 1 3 A H8 . 2.585 4.802 3.049 3.049 3.049 . 0 0 "[ ]" 1
36 1 2 A H2 1 3 A H1' . 2.335 4.336 3.928 3.928 3.928 . 0 0 "[ ]" 1
37 1 3 A H1' 1 3 A H2' . . 3.710 2.847 2.847 2.847 . 0 0 "[ ]" 1
38 2 4 5PC H1' 2 4 5PC H3' . 2.636 4.895 3.886 3.886 3.886 . 0 0 "[ ]" 1
39 1 3 A H1' 1 4 G H8 . 2.528 4.694 5.031 5.031 5.031 0.337 1 0 "[ ]" 1
40 1 6 A H2 2 4 5PC H1' . 3.191 5.926 4.297 4.297 4.297 . 0 0 "[ ]" 1
41 1 3 A H2' 1 4 G H1' . 2.801 5.202 4.325 4.325 4.325 . 0 0 "[ ]" 1
42 2 4 5PC H3' 2 4 5PC H6 . 2.314 4.297 4.199 4.199 4.199 . 0 0 "[ ]" 1
43 1 3 A H1' 1 3 A H3' . 2.592 4.813 3.878 3.878 3.878 . 0 0 "[ ]" 1
44 2 4 5PC H4' 2 4 5PC H6 . 2.759 5.124 4.543 4.543 4.543 . 0 0 "[ ]" 1
45 2 4 5PC H1' 2 4 5PC H4' . 2.288 4.250 3.205 3.205 3.205 . 0 0 "[ ]" 1
46 1 3 A H1' 1 3 A H4' . 2.702 5.018 3.252 3.252 3.252 . 0 0 "[ ]" 1
47 2 4 5PC H1' 2 5 5PC H6 . 2.417 4.489 4.130 4.130 4.130 . 0 0 "[ ]" 1
48 2 5 5PC H1' 2 5 5PC H6 . 2.599 4.827 3.841 3.841 3.841 . 0 0 "[ ]" 1
49 2 5 5PC H3' 2 5 5PC H6 . 2.168 4.027 3.563 3.563 3.563 . 0 0 "[ ]" 1
50 2 5 5PC H4' 2 5 5PC H6 . 2.264 4.205 4.669 4.669 4.669 0.464 1 0 "[ ]" 1
51 1 3 A H2' 1 4 G H8 . 2.035 3.780 2.304 2.304 2.304 . 0 0 "[ ]" 1
52 1 3 A H3' 1 4 G H8 . 2.346 4.346 3.819 3.819 3.819 . 0 0 "[ ]" 1
53 1 4 G H1' 1 4 G H2' . . 3.682 2.815 2.815 2.815 . 0 0 "[ ]" 1
54 1 4 G H2' 1 5 G H1' . 3.180 5.906 4.132 4.132 4.132 . 0 0 "[ ]" 1
55 1 4 G H3' 1 4 G H8 . 2.116 3.930 2.828 2.828 2.828 . 0 0 "[ ]" 1
56 1 4 G H1' 1 4 G H3' . 2.535 4.708 3.870 3.870 3.870 . 0 0 "[ ]" 1
57 2 5 5PC H1' 2 5 5PC H3' . 2.389 4.437 3.900 3.900 3.900 . 0 0 "[ ]" 1
58 1 4 G H3' 1 5 G H8 . 2.433 4.518 3.408 3.408 3.408 . 0 0 "[ ]" 1
59 1 4 G H4' 1 4 G H8 . 2.766 5.194 4.374 4.374 4.374 . 0 0 "[ ]" 1
60 2 5 5PC H1' 2 5 5PC H4' . 2.159 4.009 2.642 2.642 2.642 . 0 0 "[ ]" 1
61 1 4 G H1' 1 4 G H4' . 2.689 4.994 3.327 3.327 3.327 . 0 0 "[ ]" 1
62 2 5 5PC H1' 2 6 PDU H6 . 2.418 4.491 4.195 4.195 4.195 . 0 0 "[ ]" 1
63 2 6 PDU H1' 2 6 PDU H6 . 2.736 5.080 3.804 3.804 3.804 . 0 0 "[ ]" 1
64 2 6 PDU H3' 2 6 PDU H6 . 2.276 4.271 2.848 2.848 2.848 . 0 0 "[ ]" 1
65 2 6 PDU H4' 2 6 PDU H6 . 2.762 5.129 4.389 4.389 4.389 . 0 0 "[ ]" 1
66 1 4 G H1' 1 5 G H8 . 2.865 5.320 5.032 5.032 5.032 . 0 0 "[ ]" 1
67 1 4 G H2' 1 5 G H8 . 2.137 3.968 2.334 2.334 2.334 . 0 0 "[ ]" 1
68 1 5 G H1' 1 5 G H8 . 3.213 5.968 3.832 3.832 3.832 . 0 0 "[ ]" 1
69 1 5 G H3' 1 5 G H8 . 2.710 5.032 2.907 2.907 2.907 . 0 0 "[ ]" 1
70 1 5 G H1' 1 5 G H3' . 2.624 4.981 3.866 3.866 3.866 . 0 0 "[ ]" 1
71 2 6 PDU H1' 2 6 PDU H4' . 2.232 4.145 3.029 3.029 3.029 . 0 0 "[ ]" 1
72 2 6 PDU H1' 2 7 PDU H6 . 2.464 4.576 4.877 4.877 4.877 0.301 1 0 "[ ]" 1
73 1 5 G H1' 1 6 A H8 . 2.431 4.515 5.030 5.030 5.030 0.515 1 1 [+] 1
74 1 5 G H1' 1 5 G H2' . . 3.610 2.820 2.820 2.820 . 0 0 "[ ]" 1
75 1 5 G H2' 1 6 A H1' . 2.446 4.542 3.986 3.986 3.986 . 0 0 "[ ]" 1
76 2 6 PDU H1' 2 6 PDU H3' . 2.540 4.717 3.899 3.899 3.899 . 0 0 "[ ]" 1
77 2 6 PDU H3' 2 7 PDU H6 . 2.588 4.807 4.104 4.104 4.104 . 0 0 "[ ]" 1
78 1 5 G H3' 1 6 A H8 . 2.841 5.276 3.313 3.313 3.313 . 0 0 "[ ]" 1
79 1 5 G H1' 1 5 G H4' . 2.501 4.645 3.315 3.315 3.315 . 0 0 "[ ]" 1
80 2 7 PDU H1' 2 7 PDU H6 . 2.321 4.311 3.831 3.831 3.831 . 0 0 "[ ]" 1
81 1 6 A H1' 1 6 A H8 . 3.084 5.727 3.825 3.825 3.825 . 0 0 "[ ]" 1
82 1 6 A H2' 1 6 A H8 . . 5.000 3.922 3.922 3.922 . 0 0 "[ ]" 1
83 1 6 A H4' 1 6 A H8 . . 5.000 4.468 4.468 4.468 . 0 0 "[ ]" 1
84 1 6 A H1' 1 6 A H2' . 2.556 4.747 2.818 2.818 2.818 . 0 0 "[ ]" 1
85 2 7 PDU H1' 2 7 PDU H3' . 2.913 5.410 3.873 3.873 3.873 . 0 0 "[ ]" 1
86 1 6 A H1' 1 6 A H3' . 2.261 4.200 3.859 3.859 3.859 . 0 0 "[ ]" 1
87 1 6 A H1' 1 6 A H4' . 2.448 4.547 3.311 3.311 3.311 . 0 0 "[ ]" 1
88 1 6 A H1' 1 7 G H8 . 2.619 4.863 4.955 4.955 4.955 0.092 1 0 "[ ]" 1
89 2 7 PDU H3' 2 7 PDU H6 . 2.211 4.107 2.498 2.498 2.498 . 0 0 "[ ]" 1
90 1 6 A H3' 1 6 A H8 . 2.662 4.943 2.913 2.913 2.913 . 0 0 "[ ]" 1
91 1 6 A H3' 1 7 G H8 . 2.126 3.947 3.455 3.455 3.455 . 0 0 "[ ]" 1
92 2 7 PDU H4' 2 7 PDU H6 . 2.552 4.740 4.246 4.246 4.246 . 0 0 "[ ]" 1
93 2 7 PDU H1' 2 7 PDU H4' . 2.306 4.282 3.195 3.195 3.195 . 0 0 "[ ]" 1
94 1 6 A H2' 1 7 G H8 . 2.199 4.084 2.299 2.299 2.299 . 0 0 "[ ]" 1
95 1 7 G H1' 1 7 G H8 . 2.921 5.425 3.797 3.797 3.797 . 0 0 "[ ]" 1
96 1 7 G H4' 1 7 G H8 . 2.581 4.794 4.519 4.519 4.519 . 0 0 "[ ]" 1
97 1 6 A H2 1 7 G H1' . 2.145 3.983 3.750 3.750 3.750 . 0 0 "[ ]" 1
98 1 7 G H1' 1 7 G H3' . 2.449 4.548 3.861 3.861 3.861 . 0 0 "[ ]" 1
99 1 7 G H1' 1 7 G H2' . . 3.687 2.824 2.824 2.824 . 0 0 "[ ]" 1
100 1 7 G H1' 1 7 G H4' . 2.634 4.891 3.305 3.305 3.305 . 0 0 "[ ]" 1
101 1 7 G H1' 1 8 G H8 . 2.629 4.882 5.017 5.017 5.017 0.135 1 0 "[ ]" 1
102 1 7 G H2' 1 8 G H8 . 2.053 3.812 2.275 2.275 2.275 . 0 0 "[ ]" 1
103 1 7 G H3' 1 8 G H8 . 2.234 4.148 3.380 3.380 3.380 . 0 0 "[ ]" 1
104 1 8 G H1' 1 8 G H8 . 2.893 5.372 3.748 3.748 3.748 . 0 0 "[ ]" 1
105 1 8 G H3' 1 8 G H8 . 2.353 4.369 2.950 2.950 2.950 . 0 0 "[ ]" 1
106 1 8 G H1' 1 8 G H3' . 2.492 4.639 3.886 3.886 3.886 . 0 0 "[ ]" 1
107 1 8 G H1' 1 8 G H4' . 2.253 4.183 3.352 3.352 3.352 . 0 0 "[ ]" 1
108 1 8 G H1' 1 8 G H2' . . 3.567 2.809 2.809 2.809 . 0 0 "[ ]" 1
109 1 8 G H3' 1 9 A H8 . 2.379 4.417 2.962 2.962 2.962 . 0 0 "[ ]" 1
110 1 9 A H2 2 1 DC H1' . 2.874 5.337 4.316 4.316 4.316 . 0 0 "[ ]" 1
111 1 8 G H2' 1 9 A H8 . . 3.633 2.473 2.473 2.473 . 0 0 "[ ]" 1
112 1 9 A H1' 1 9 A H8 . 2.529 4.697 3.843 3.843 3.843 . 0 0 "[ ]" 1
113 1 9 A H1' 1 9 A H2' . . 3.667 2.839 2.839 2.839 . 0 0 "[ ]" 1
114 1 9 A H3' 1 9 A H8 . 2.296 4.263 2.929 2.929 2.929 . 0 0 "[ ]" 1
115 1 9 A H1' 1 9 A H3' . 2.632 4.889 3.880 3.880 3.880 . 0 0 "[ ]" 1
116 1 9 A H1' 1 9 A H4' . . 5.000 3.320 3.320 3.320 . 0 0 "[ ]" 1
117 1 8 G H2' 1 9 A H1' . 3.238 6.000 4.063 4.063 4.063 . 0 0 "[ ]" 1
118 1 8 G H1' 1 9 A H8 . 2.536 4.710 5.077 5.077 5.077 0.367 1 0 "[ ]" 1
119 1 1 A H2' 1 2 A H1' . 3.327 6.000 3.566 3.566 3.566 . 0 0 "[ ]" 1
120 1 2 A H2' 1 2 A H8 . 3.007 5.585 3.871 3.871 3.871 . 0 0 "[ ]" 1
121 1 3 A H2 1 4 G H1' . 2.348 4.360 4.273 4.273 4.273 . 0 0 "[ ]" 1
122 1 5 G H2' 1 6 A H8 . . 5.000 2.353 2.353 2.353 . 0 0 "[ ]" 1
123 1 4 G H1' 1 4 G H8 . 3.345 6.000 3.807 3.807 3.807 . 0 0 "[ ]" 1
124 1 7 G H3' 1 7 G H8 . . 5.000 3.079 3.079 3.079 . 0 0 "[ ]" 1
125 2 3 PDU H1' 2 4 5PC H6 . 2.458 4.564 4.784 4.784 4.784 0.220 1 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 18
_Distance_constraint_stats_list.Viol_count 2
_Distance_constraint_stats_list.Viol_total 0.007
_Distance_constraint_stats_list.Viol_max 0.005
_Distance_constraint_stats_list.Viol_rms 0.0013
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0035
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 A 0.000 0.000 . 0 "[ ]"
1 3 A 0.002 0.002 1 0 "[ ]"
1 4 G 0.000 0.000 . 0 "[ ]"
1 5 G 0.000 0.000 . 0 "[ ]"
1 6 A 0.000 0.000 . 0 "[ ]"
1 7 G 0.005 0.005 1 0 "[ ]"
1 8 G 0.000 0.000 . 0 "[ ]"
2 1 DC 0.000 0.000 . 0 "[ ]"
2 2 5PC 0.005 0.005 1 0 "[ ]"
2 3 PDU 0.000 0.000 . 0 "[ ]"
2 4 5PC 0.000 0.000 . 0 "[ ]"
2 5 5PC 0.000 0.000 . 0 "[ ]"
2 6 PDU 0.002 0.002 1 0 "[ ]"
2 7 PDU 0.000 0.000 . 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 2 A N1 2 7 PDU H3 . . 2.500 2.136 2.136 2.136 . 0 0 "[ ]" 2
2 1 2 A H61 2 7 PDU O4 . . 2.500 2.255 2.255 2.255 . 0 0 "[ ]" 2
3 1 3 A N1 2 6 PDU H3 . . 2.500 2.154 2.154 2.154 . 0 0 "[ ]" 2
4 1 3 A H61 2 6 PDU O4 . . 2.500 2.502 2.502 2.502 0.002 1 0 "[ ]" 2
5 1 4 G H1 2 5 5PC N3 . . 2.500 2.346 2.346 2.346 . 0 0 "[ ]" 2
6 1 4 G O6 2 5 5PC H42 . . 2.500 2.492 2.492 2.492 . 0 0 "[ ]" 2
7 1 4 G H21 2 5 5PC O2 . . 2.500 2.286 2.286 2.286 . 0 0 "[ ]" 2
8 1 5 G H1 2 4 5PC N3 . . 2.500 2.210 2.210 2.210 . 0 0 "[ ]" 2
9 1 5 G O6 2 4 5PC H42 . . 2.500 1.934 1.934 1.934 . 0 0 "[ ]" 2
10 1 5 G H21 2 4 5PC O2 . . 2.500 2.459 2.459 2.459 . 0 0 "[ ]" 2
11 1 6 A N1 2 3 PDU H3 . . 2.500 2.219 2.219 2.219 . 0 0 "[ ]" 2
12 1 6 A H61 2 3 PDU O4 . . 2.500 2.300 2.300 2.300 . 0 0 "[ ]" 2
13 1 7 G H1 2 2 5PC N3 . . 2.500 2.307 2.307 2.307 . 0 0 "[ ]" 2
14 1 7 G O6 2 2 5PC H42 . . 2.500 2.505 2.505 2.505 0.005 1 0 "[ ]" 2
15 1 7 G H21 2 2 5PC O2 . . 2.500 2.193 2.193 2.193 . 0 0 "[ ]" 2
16 1 8 G H1 2 1 DC N3 . . 2.500 2.163 2.163 2.163 . 0 0 "[ ]" 2
17 1 8 G O6 2 1 DC H41 . . 2.500 2.150 2.150 2.150 . 0 0 "[ ]" 2
18 1 8 G H21 2 1 DC O2 . . 2.500 2.354 2.354 2.354 . 0 0 "[ ]" 2
stop_
save_
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