NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
405899 |
1xce   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1xce
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 275
_Distance_constraint_stats_list.Viol_count 98
_Distance_constraint_stats_list.Viol_total 6.897
_Distance_constraint_stats_list.Viol_max 1.135
_Distance_constraint_stats_list.Viol_rms 0.0908
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0251
_Distance_constraint_stats_list.Viol_average_violations_only 0.0704
_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 0.550 0.145 1 0 "[ ]"
1 2 DC 0.595 0.175 1 0 "[ ]"
1 3 DG 0.257 0.054 1 0 "[ ]"
1 4 DG 1.047 0.672 1 1 [+]
1 5 DT 0.896 0.672 1 1 [+]
1 6 DT 0.503 0.187 1 0 "[ ]"
1 7 DG 0.757 0.259 1 0 "[ ]"
1 8 DG 0.455 0.174 1 0 "[ ]"
1 9 DA 2.091 1.135 1 1 [+]
1 10 DT 2.331 1.135 1 1 [+]
2 1 DG 0.175 0.175 1 0 "[ ]"
2 2 DC 0.105 0.075 1 0 "[ ]"
2 3 DG 0.005 0.005 1 0 "[ ]"
2 4 DG 0.000 0.000 . 0 "[ ]"
2 5 DT 0.011 0.011 1 0 "[ ]"
2 6 DT 0.089 0.041 1 0 "[ ]"
2 7 DG 0.015 0.015 1 0 "[ ]"
2 9 DA 0.006 0.006 1 0 "[ ]"
2 10 DT 0.050 0.019 1 0 "[ ]"
3 1 DG 0.192 0.120 1 0 "[ ]"
3 2 DC 0.116 0.116 1 0 "[ ]"
3 3 DG 0.020 0.020 1 0 "[ ]"
3 5 DT 0.005 0.005 1 0 "[ ]"
3 6 DT 0.258 0.139 1 0 "[ ]"
3 7 DG 0.000 0.000 . 0 "[ ]"
4 1 DG 0.116 0.116 1 0 "[ ]"
4 2 DC 0.120 0.120 1 0 "[ ]"
4 5 DT 0.004 0.004 1 0 "[ ]"
4 6 DT 0.071 0.043 1 0 "[ ]"
4 7 DG 0.007 0.007 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 1 5 DT H1' 1 6 DT H6 4.152 3.322 4.982 4.479 4.479 4.479 . 0 0 "[ ]" 1
2 1 6 DT H1' 1 6 DT H6 2.549 2.039 3.059 2.736 2.736 2.736 . 0 0 "[ ]" 1
3 1 6 DT H1' 1 6 DT H2' 2.626 2.101 3.151 2.821 2.821 2.821 . 0 0 "[ ]" 1
4 1 6 DT H1' 1 6 DT H2'' 2.471 . 2.965 2.886 2.886 2.886 . 0 0 "[ ]" 1
5 1 6 DT H2'' 1 6 DT H6 2.760 2.208 3.312 3.478 3.478 3.478 0.166 1 0 "[ ]" 1
6 1 6 DT H4' 1 6 DT H6 3.648 2.918 4.378 3.819 3.819 3.819 . 0 0 "[ ]" 1
7 1 6 DT H3' 1 7 DG H8 3.795 3.036 4.554 4.562 4.562 4.562 0.008 1 0 "[ ]" 1
8 1 6 DT H1' 1 6 DT H3' 3.291 2.633 3.949 3.866 3.866 3.866 . 0 0 "[ ]" 1
9 1 6 DT H1' 1 7 DG H8 4.852 3.882 5.822 4.171 4.171 4.171 . 0 0 "[ ]" 1
10 1 6 DT H3' 1 6 DT H6 3.165 2.065 4.265 4.297 4.297 4.297 0.032 1 0 "[ ]" 1
11 2 6 DT H3' 2 6 DT H6 3.165 2.065 4.265 4.286 4.286 4.286 0.021 1 0 "[ ]" 1
12 3 6 DT H3' 3 6 DT H6 3.165 2.065 4.265 4.274 4.274 4.274 0.009 1 0 "[ ]" 1
13 4 6 DT H3' 4 6 DT H6 3.165 2.065 4.265 4.283 4.283 4.283 0.018 1 0 "[ ]" 1
14 2 5 DT H1' 2 6 DT H6 4.152 3.322 4.982 4.993 4.993 4.993 0.011 1 0 "[ ]" 1
15 2 6 DT H1' 2 6 DT H6 2.549 2.039 3.059 2.747 2.747 2.747 . 0 0 "[ ]" 1
16 2 6 DT H1' 2 6 DT H2'' 2.626 2.101 3.151 2.551 2.551 2.551 . 0 0 "[ ]" 1
17 2 6 DT H1' 2 6 DT H2' 2.471 . 2.965 2.887 2.887 2.887 . 0 0 "[ ]" 1
18 2 6 DT H2' 2 6 DT H6 2.760 2.208 3.312 3.353 3.353 3.353 0.041 1 0 "[ ]" 1
19 2 6 DT H4' 2 6 DT H6 3.648 2.918 4.378 3.730 3.730 3.730 . 0 0 "[ ]" 1
20 2 6 DT H3' 2 7 DG H8 3.795 3.036 4.554 4.569 4.569 4.569 0.015 1 0 "[ ]" 1
21 2 6 DT H1' 2 6 DT H3' 3.291 2.633 3.949 3.601 3.601 3.601 . 0 0 "[ ]" 1
22 2 6 DT H1' 2 7 DG H8 4.852 3.882 5.822 4.095 4.095 4.095 . 0 0 "[ ]" 1
23 3 5 DT H1' 3 6 DT H6 4.152 3.322 4.982 4.987 4.987 4.987 0.005 1 0 "[ ]" 1
24 3 6 DT H1' 3 6 DT H6 2.549 2.039 3.059 2.002 2.002 2.002 0.037 1 0 "[ ]" 1
25 3 6 DT H1' 3 6 DT H2' 2.626 2.101 3.151 3.005 3.005 3.005 . 0 0 "[ ]" 1
26 3 6 DT H1' 3 6 DT H2'' 2.471 . 2.965 1.909 1.909 1.909 0.068 1 0 "[ ]" 1
27 3 6 DT H2'' 3 6 DT H6 2.760 2.208 3.312 3.451 3.451 3.451 0.139 1 0 "[ ]" 1
28 3 6 DT H4' 3 6 DT H6 3.648 2.918 4.378 3.260 3.260 3.260 . 0 0 "[ ]" 1
29 3 6 DT H3' 3 7 DG H8 3.795 3.036 4.554 4.119 4.119 4.119 . 0 0 "[ ]" 1
30 3 6 DT H1' 3 6 DT H3' 3.291 2.633 3.949 3.355 3.355 3.355 . 0 0 "[ ]" 1
31 3 6 DT H1' 3 7 DG H8 4.852 3.882 5.822 4.593 4.593 4.593 . 0 0 "[ ]" 1
32 4 5 DT H1' 4 6 DT H6 4.152 3.322 4.982 4.986 4.986 4.986 0.004 1 0 "[ ]" 1
33 4 6 DT H1' 4 6 DT H6 2.549 2.039 3.059 2.772 2.772 2.772 . 0 0 "[ ]" 1
34 4 6 DT H1' 4 6 DT H2'' 2.626 2.101 3.151 2.550 2.550 2.550 . 0 0 "[ ]" 1
35 4 6 DT H1' 4 6 DT H2' 2.471 . 2.965 2.886 2.886 2.886 . 0 0 "[ ]" 1
36 4 6 DT H2' 4 6 DT H6 2.760 2.208 3.312 3.355 3.355 3.355 0.043 1 0 "[ ]" 1
37 4 6 DT H4' 4 6 DT H6 3.648 2.918 4.378 3.777 3.777 3.777 . 0 0 "[ ]" 1
38 4 6 DT H3' 4 7 DG H8 3.795 3.036 4.554 4.561 4.561 4.561 0.007 1 0 "[ ]" 1
39 4 6 DT H1' 4 6 DT H3' 3.291 2.633 3.949 3.626 3.626 3.626 . 0 0 "[ ]" 1
40 4 6 DT H1' 4 7 DG H8 4.852 3.882 5.822 4.107 4.107 4.107 . 0 0 "[ ]" 1
41 1 10 DT H1' 1 10 DT M7 4.307 3.207 5.407 4.496 4.496 4.496 . 0 0 "[ ]" 1
42 1 5 DT H2' 1 5 DT M7 3.541 2.541 4.541 3.663 3.663 3.663 . 0 0 "[ ]" 1
43 1 6 DT H2' 1 6 DT M7 3.608 2.408 4.808 3.094 3.094 3.094 . 0 0 "[ ]" 1
44 1 6 DT H2'' 1 6 DT M7 3.445 . 4.945 3.933 3.933 3.933 . 0 0 "[ ]" 1
45 1 10 DT H3' 1 10 DT H4' 2.744 . 4.244 2.473 2.473 2.473 . 0 0 "[ ]" 1
46 1 5 DT H4' 1 6 DT H6 4.044 2.844 5.244 2.810 2.810 2.810 0.034 1 0 "[ ]" 1
47 1 6 DT H2' 1 6 DT H6 2.519 . 3.519 2.513 2.513 2.513 . 0 0 "[ ]" 1
48 1 4 DG H8 1 5 DT M7 3.255 2.055 4.455 3.458 3.458 3.458 . 0 0 "[ ]" 1
49 1 2 DC H6 1 3 DG H8 3.635 2.435 4.835 4.882 4.882 4.882 0.047 1 0 "[ ]" 1
50 1 1 DG H1' 1 2 DC H1' 4.809 3.209 6.409 6.042 6.042 6.042 . 0 0 "[ ]" 1
51 1 6 DT H1' 1 6 DT M7 3.579 2.279 4.879 4.007 4.007 4.007 . 0 0 "[ ]" 1
52 1 1 DG H8 1 2 DC H6 3.772 2.772 4.772 4.623 4.623 4.623 . 0 0 "[ ]" 1
53 1 8 DG H1' 1 9 DA H8 3.132 2.232 4.032 4.068 4.068 4.068 0.036 1 0 "[ ]" 1
54 1 1 DG H1' 1 1 DG H8 3.420 2.736 4.104 3.228 3.228 3.228 . 0 0 "[ ]" 1
55 1 10 DT H1' 1 10 DT H6 3.281 2.625 3.937 3.536 3.536 3.536 . 0 0 "[ ]" 1
56 1 9 DA H1' 1 10 DT H6 3.486 2.789 4.183 4.144 4.144 4.144 . 0 0 "[ ]" 1
57 1 2 DC H1' 1 2 DC H6 3.393 2.714 4.072 3.388 3.388 3.388 . 0 0 "[ ]" 1
58 1 1 DG H1' 1 2 DC H6 3.513 2.810 4.216 4.272 4.272 4.272 0.056 1 0 "[ ]" 1
59 1 3 DG H1' 1 4 DG H8 3.119 2.495 3.743 3.769 3.769 3.769 0.026 1 0 "[ ]" 1
60 1 4 DG H1' 1 4 DG H8 3.422 2.738 4.106 3.712 3.712 3.712 . 0 0 "[ ]" 1
61 1 9 DA H1' 1 9 DA H2 4.069 3.255 4.883 4.130 4.130 4.130 . 0 0 "[ ]" 1
62 1 5 DT H1' 1 5 DT H6 3.264 2.611 3.917 3.467 3.467 3.467 . 0 0 "[ ]" 1
63 1 4 DG H1' 1 5 DT H6 3.648 2.918 4.378 3.091 3.091 3.091 . 0 0 "[ ]" 1
64 1 9 DA H1' 1 9 DA H8 3.403 2.722 4.084 3.508 3.508 3.508 . 0 0 "[ ]" 1
65 1 7 DG H1' 1 7 DG H8 3.377 2.702 4.052 3.162 3.162 3.162 . 0 0 "[ ]" 1
66 1 3 DG H1' 1 3 DG H8 3.339 2.671 4.007 3.579 3.579 3.579 . 0 0 "[ ]" 1
67 1 2 DC H1' 1 3 DG H8 3.006 2.405 3.607 3.613 3.613 3.613 0.006 1 0 "[ ]" 1
68 1 3 DG H8 1 4 DG H8 3.749 2.999 4.499 3.757 3.757 3.757 . 0 0 "[ ]" 1
69 1 9 DA H8 1 10 DT H6 3.857 3.086 4.628 4.647 4.647 4.647 0.019 1 0 "[ ]" 1
70 1 10 DT H1' 1 10 DT H2'' 2.382 . 2.858 2.355 2.355 2.355 . 0 0 "[ ]" 1
71 1 10 DT H1' 1 10 DT H2' 2.492 . 2.990 2.729 2.729 2.729 . 0 0 "[ ]" 1
72 1 9 DA H1' 1 9 DA Q2' 2.663 2.130 2.968 1.905 1.905 1.905 0.225 1 0 "[ ]" 1
73 1 2 DC H1' 1 2 DC H2' 2.753 2.202 3.304 3.030 3.030 3.030 . 0 0 "[ ]" 1
74 1 1 DG H1' 1 1 DG H2'' 2.857 2.286 3.428 2.257 2.257 2.257 0.029 1 0 "[ ]" 1
75 1 1 DG H1' 1 1 DG H2' 2.566 2.053 3.079 2.287 2.287 2.287 . 0 0 "[ ]" 1
76 1 3 DG H1' 1 3 DG H2' 2.635 2.108 3.162 2.984 2.984 2.984 . 0 0 "[ ]" 1
77 1 3 DG H1' 1 3 DG H2'' 2.475 . 2.970 2.258 2.258 2.258 . 0 0 "[ ]" 1
78 1 8 DG H1' 1 8 DG H2'' 2.530 2.024 3.036 2.010 2.010 2.010 0.014 1 0 "[ ]" 1
79 1 7 DG H1' 1 7 DG H2'' 2.384 . 2.861 2.154 2.154 2.154 . 0 0 "[ ]" 1
80 1 7 DG H1' 1 7 DG H2' 2.699 2.159 3.239 2.648 2.648 2.648 . 0 0 "[ ]" 1
81 1 5 DT H1' 1 5 DT H2' 2.613 2.090 3.136 3.029 3.029 3.029 . 0 0 "[ ]" 1
82 1 5 DT H1' 1 5 DT H2'' 2.513 2.010 3.016 2.705 2.705 2.705 . 0 0 "[ ]" 1
83 1 2 DC H1' 1 2 DC H2'' 2.533 2.026 3.040 2.399 2.399 2.399 . 0 0 "[ ]" 1
84 1 4 DG H1' 1 4 DG Q2' 2.451 2.151 2.941 2.408 2.408 2.408 . 0 0 "[ ]" 1
85 1 1 DG H2'' 1 1 DG H8 2.626 . 3.526 3.671 3.671 3.671 0.145 1 0 "[ ]" 1
86 1 1 DG H2' 1 1 DG H8 2.955 . 3.955 3.968 3.968 3.968 0.013 1 0 "[ ]" 1
87 1 4 DG Q2' 1 4 DG H8 2.856 2.078 3.118 2.296 2.296 2.296 . 0 0 "[ ]" 1
88 1 3 DG H2'' 1 4 DG H8 2.803 2.242 3.364 3.029 3.029 3.029 . 0 0 "[ ]" 1
89 1 10 DT H2'' 1 10 DT H6 2.728 2.182 3.274 3.309 3.309 3.309 0.035 1 0 "[ ]" 1
90 1 10 DT H2' 1 10 DT H6 2.513 2.010 3.016 1.992 1.992 1.992 0.018 1 0 "[ ]" 1
91 1 2 DC H2' 1 2 DC H6 2.617 2.094 3.140 2.088 2.088 2.088 0.006 1 0 "[ ]" 1
92 1 1 DG H2'' 1 2 DC H6 2.842 2.274 3.410 3.469 3.469 3.469 0.059 1 0 "[ ]" 1
93 1 1 DG H2' 1 2 DC H6 2.805 2.244 3.366 2.216 2.216 2.216 0.028 1 0 "[ ]" 1
94 1 2 DC H2'' 1 2 DC H6 2.756 2.205 3.307 3.339 3.339 3.339 0.032 1 0 "[ ]" 1
95 1 3 DG H2' 1 4 DG H8 2.814 2.251 3.377 3.407 3.407 3.407 0.030 1 0 "[ ]" 1
96 1 5 DT H6 1 5 DT M7 2.603 2.082 3.124 2.370 2.370 2.370 . 0 0 "[ ]" 1
97 1 5 DT H2' 1 5 DT H6 2.391 . 2.869 1.878 1.878 1.878 0.035 1 0 "[ ]" 1
98 1 5 DT H2'' 1 5 DT H6 2.714 2.171 3.257 2.958 2.958 2.958 . 0 0 "[ ]" 1
99 1 6 DT H6 1 6 DT M7 2.440 . 2.928 1.765 1.765 1.765 0.187 1 0 "[ ]" 1
100 1 2 DC H2' 1 3 DG H8 2.951 2.361 3.541 3.300 3.300 3.300 . 0 0 "[ ]" 1
101 1 7 DG H2' 1 8 DG H8 2.853 2.282 3.424 2.180 2.180 2.180 0.102 1 0 "[ ]" 1
102 1 7 DG H2' 1 7 DG H8 2.971 . 3.971 3.838 3.838 3.838 . 0 0 "[ ]" 1
103 1 7 DG H2'' 1 7 DG H8 3.193 2.554 3.832 4.091 4.091 4.091 0.259 1 0 "[ ]" 1
104 1 8 DG H2'' 1 8 DG H8 2.757 2.206 3.308 3.286 3.286 3.286 . 0 0 "[ ]" 1
105 1 3 DG H2'' 1 3 DG H8 2.845 2.276 3.414 3.468 3.468 3.468 0.054 1 0 "[ ]" 1
106 1 8 DG H2'' 1 9 DA H8 2.868 2.294 3.442 2.364 2.364 2.364 . 0 0 "[ ]" 1
107 1 4 DG Q2' 1 5 DT H6 2.937 2.350 3.524 2.303 2.303 2.303 0.047 1 0 "[ ]" 1
108 1 9 DA Q2' 1 9 DA H8 2.914 2.317 3.475 3.288 3.288 3.288 . 0 0 "[ ]" 1
109 1 8 DG H2' 1 9 DA H8 2.990 2.392 3.588 3.461 3.461 3.461 . 0 0 "[ ]" 1
110 1 3 DG H2' 1 3 DG H8 2.521 . 3.421 2.235 2.235 2.235 . 0 0 "[ ]" 1
111 1 7 DG H2'' 1 8 DG H8 2.759 2.207 3.311 3.485 3.485 3.485 0.174 1 0 "[ ]" 1
112 1 9 DA Q2' 1 10 DT H6 2.797 2.238 3.356 2.202 2.202 2.202 0.036 1 0 "[ ]" 1
113 1 1 DG H4' 1 1 DG H8 3.492 2.794 4.190 3.658 3.658 3.658 . 0 0 "[ ]" 1
114 1 10 DT H3' 1 10 DT H6 2.831 2.265 3.397 2.187 2.187 2.187 0.078 1 0 "[ ]" 1
115 1 10 DT H4' 1 10 DT H6 3.886 3.109 4.663 4.123 4.123 4.123 . 0 0 "[ ]" 1
116 1 1 DG H4' 1 2 DC H6 3.695 2.705 4.685 4.602 4.602 4.602 . 0 0 "[ ]" 1
117 1 4 DG H4' 1 4 DG H8 3.895 3.116 4.674 3.070 3.070 3.070 0.046 1 0 "[ ]" 1
118 1 5 DT H4' 1 5 DT H6 3.883 3.106 4.660 4.309 4.309 4.309 . 0 0 "[ ]" 1
119 1 9 DA H3' 1 9 DA H8 3.575 2.860 4.290 3.521 3.521 3.521 . 0 0 "[ ]" 1
120 1 9 DA H8 1 10 DT H3' 3.709 2.409 5.009 5.022 5.022 5.022 0.013 1 0 "[ ]" 1
121 1 8 DG H4' 1 8 DG H8 4.010 3.208 4.812 3.979 3.979 3.979 . 0 0 "[ ]" 1
122 1 3 DG H4' 1 3 DG H8 3.635 2.908 4.362 4.400 4.400 4.400 0.038 1 0 "[ ]" 1
123 1 1 DG H3' 1 1 DG H8 2.754 2.203 3.305 2.652 2.652 2.652 . 0 0 "[ ]" 1
124 1 9 DA H3' 1 10 DT H6 3.390 2.712 4.068 4.052 4.052 4.052 . 0 0 "[ ]" 1
125 1 2 DC H5 1 2 DC H6 2.460 . 2.952 2.534 2.534 2.534 . 0 0 "[ ]" 1
126 1 2 DC H3' 1 2 DC H6 3.478 2.782 4.174 4.204 4.204 4.204 0.030 1 0 "[ ]" 1
127 1 5 DT H3' 1 5 DT H6 2.960 . 3.960 4.032 4.032 4.032 0.072 1 0 "[ ]" 1
128 1 7 DG H3' 1 7 DG H8 4.302 3.442 5.162 3.380 3.380 3.380 0.062 1 0 "[ ]" 1
129 1 7 DG H3' 1 8 DG H8 3.780 3.024 4.536 3.005 3.005 3.005 0.019 1 0 "[ ]" 1
130 1 8 DG H3' 1 8 DG H8 3.296 2.637 3.955 4.036 4.036 4.036 0.081 1 0 "[ ]" 1
131 1 2 DC H3' 1 3 DG H8 3.715 2.972 4.458 3.721 3.721 3.721 . 0 0 "[ ]" 1
132 1 3 DG H3' 1 3 DG H8 3.281 2.625 3.937 3.941 3.941 3.941 0.004 1 0 "[ ]" 1
133 1 10 DT H1' 1 10 DT H4' 2.927 2.342 3.512 3.510 3.510 3.510 . 0 0 "[ ]" 1
134 1 9 DA H1' 1 10 DT H4' 3.899 2.899 4.899 4.926 4.926 4.926 0.027 1 0 "[ ]" 1
135 1 1 DG H1' 1 1 DG H4' 2.892 2.314 3.470 3.494 3.494 3.494 0.024 1 0 "[ ]" 1
136 1 10 DT H1' 1 10 DT H3' 3.007 2.406 3.608 3.418 3.418 3.418 . 0 0 "[ ]" 1
137 1 1 DG H1' 1 1 DG H3' 3.157 2.526 3.788 3.723 3.723 3.723 . 0 0 "[ ]" 1
138 1 2 DC H1' 1 2 DC H5 3.993 2.793 5.193 5.241 5.241 5.241 0.048 1 0 "[ ]" 1
139 1 9 DA H1' 1 9 DA H3' 3.244 2.595 3.893 3.903 3.903 3.903 0.010 1 0 "[ ]" 1
140 1 4 DG H1' 1 4 DG H3' 2.930 2.344 3.516 3.514 3.514 3.514 . 0 0 "[ ]" 1
141 1 5 DT H1' 1 5 DT H3' 3.216 2.573 3.859 3.317 3.317 3.317 . 0 0 "[ ]" 1
142 1 3 DG H1' 1 3 DG H3' 3.116 2.493 3.739 3.741 3.741 3.741 0.002 1 0 "[ ]" 1
143 1 8 DG H1' 1 8 DG H3' 3.167 2.534 3.800 3.392 3.392 3.392 . 0 0 "[ ]" 1
144 1 7 DG H1' 1 7 DG H3' 3.800 3.040 4.560 4.081 4.081 4.081 . 0 0 "[ ]" 1
145 1 2 DC H1' 1 2 DC H3' 3.559 2.847 4.271 3.636 3.636 3.636 . 0 0 "[ ]" 1
146 1 6 DT H1' 1 6 DT H4' 3.133 2.506 3.760 2.494 2.494 2.494 0.012 1 0 "[ ]" 1
147 1 4 DG H1' 1 4 DG H4' 2.911 2.329 3.493 3.576 3.576 3.576 0.083 1 0 "[ ]" 1
148 1 5 DT H1' 1 5 DT H4' 2.838 2.270 3.406 2.810 2.810 2.810 . 0 0 "[ ]" 1
149 1 2 DC H1' 1 3 DG H4' 3.567 2.854 4.280 4.281 4.281 4.281 0.001 1 0 "[ ]" 1
150 1 7 DG H1' 1 7 DG H4' 3.062 2.450 3.674 3.276 3.276 3.276 . 0 0 "[ ]" 1
151 1 8 DG H1' 1 8 DG H4' 3.021 2.417 3.625 3.534 3.534 3.534 . 0 0 "[ ]" 1
152 1 3 DG H1' 1 3 DG H4' 2.901 2.321 3.481 2.304 2.304 2.304 0.017 1 0 "[ ]" 1
153 1 5 DT H3' 1 5 DT H4' 2.512 2.010 3.014 2.320 2.320 2.320 . 0 0 "[ ]" 1
154 1 6 DT H3' 1 6 DT H4' 2.698 2.158 3.238 3.005 3.005 3.005 . 0 0 "[ ]" 1
155 1 7 DG H3' 1 7 DG H4' 2.738 2.190 3.286 3.087 3.087 3.087 . 0 0 "[ ]" 1
156 1 2 DC H3' 1 2 DC H4' 2.630 2.104 3.156 2.624 2.624 2.624 . 0 0 "[ ]" 1
157 1 9 DA H3' 1 9 DA H4' 2.775 2.220 3.330 2.900 2.900 2.900 . 0 0 "[ ]" 1
158 1 1 DG H3' 1 1 DG H4' 2.560 2.048 3.072 3.094 3.094 3.094 0.022 1 0 "[ ]" 1
159 1 10 DT H2' 1 10 DT H3' 2.499 . 2.999 2.831 2.831 2.831 . 0 0 "[ ]" 1
160 1 10 DT H2'' 1 10 DT H3' 2.573 2.058 3.088 3.111 3.111 3.111 0.023 1 0 "[ ]" 1
161 1 1 DG H2'' 1 1 DG H3' 2.423 . 2.908 2.805 2.805 2.805 . 0 0 "[ ]" 1
162 1 1 DG H2' 1 1 DG H3' 2.564 2.051 3.077 2.735 2.735 2.735 . 0 0 "[ ]" 1
163 1 9 DA Q2' 1 9 DA H3' 2.690 2.152 3.089 2.052 2.052 2.052 0.100 1 0 "[ ]" 1
164 1 7 DG H2' 1 7 DG H3' 2.651 2.121 3.181 2.860 2.860 2.860 . 0 0 "[ ]" 1
165 1 2 DC H2'' 1 2 DC H3' 2.528 2.074 3.034 2.525 2.525 2.525 . 0 0 "[ ]" 1
166 1 7 DG H2'' 1 7 DG H3' 2.684 2.147 3.221 2.979 2.979 2.979 . 0 0 "[ ]" 1
167 1 6 DT H2'' 1 6 DT H3' 2.517 2.014 3.020 2.541 2.541 2.541 . 0 0 "[ ]" 1
168 1 8 DG H2'' 1 8 DG H3' 2.338 . 2.806 2.596 2.596 2.596 . 0 0 "[ ]" 1
169 1 6 DT H2' 1 6 DT H3' 2.359 . 2.831 1.993 1.993 1.993 . 0 0 "[ ]" 1
170 1 5 DT H2'' 1 5 DT H3' 2.573 2.058 3.088 2.683 2.683 2.683 . 0 0 "[ ]" 1
171 1 5 DT H2' 1 5 DT H3' 2.314 . 2.777 2.251 2.251 2.251 . 0 0 "[ ]" 1
172 1 4 DG Q2' 1 4 DG H3' 2.322 2.020 2.786 1.990 1.990 1.990 0.030 1 0 "[ ]" 1
173 1 8 DG H2' 1 8 DG H8 2.680 2.144 3.216 2.274 2.274 2.274 . 0 0 "[ ]" 1
174 1 10 DT H2' 1 10 DT H4' 2.831 2.265 3.397 3.417 3.417 3.417 0.020 1 0 "[ ]" 1
175 1 10 DT H2'' 1 10 DT H4' 3.122 2.498 3.746 2.437 2.437 2.437 0.061 1 0 "[ ]" 1
176 1 4 DG H3' 1 5 DT M7 3.295 2.295 4.295 3.466 3.466 3.466 . 0 0 "[ ]" 1
177 1 5 DT H3' 1 6 DT M7 3.523 2.523 4.523 3.669 3.669 3.669 . 0 0 "[ ]" 1
178 1 9 DA H8 1 10 DT M7 3.021 2.417 3.625 2.695 2.695 2.695 . 0 0 "[ ]" 1
179 1 10 DT H6 1 10 DT M7 2.467 . 2.960 1.654 1.654 1.654 0.320 1 0 "[ ]" 1
180 1 9 DA H1' 1 10 DT M7 . 3.753 4.430 3.377 3.377 3.377 0.376 1 0 "[ ]" 1
181 1 9 DA H3' 1 10 DT M7 3.024 2.024 4.024 3.267 3.267 3.267 . 0 0 "[ ]" 1
182 1 10 DT H3' 1 10 DT M7 3.792 3.034 4.550 2.927 2.927 2.927 0.107 1 0 "[ ]" 1
183 1 9 DA Q2' 1 10 DT M7 . 3.147 3.559 2.012 2.012 2.012 1.135 1 1 [+] 1
184 1 10 DT H2'' 1 10 DT M7 4.436 3.549 5.323 4.322 4.322 4.322 . 0 0 "[ ]" 1
185 1 10 DT H2' 1 10 DT M7 3.776 3.021 4.531 3.051 3.051 3.051 . 0 0 "[ ]" 1
186 1 4 DG Q2' 1 5 DT M7 3.095 2.476 3.610 1.804 1.804 1.804 0.672 1 1 [+] 1
187 1 9 DA Q2' 1 10 DT H4' 3.626 3.326 4.351 3.287 3.287 3.287 0.039 1 0 "[ ]" 1
188 1 10 DT H4' 1 10 DT M7 4.983 3.986 5.980 4.896 4.896 4.896 . 0 0 "[ ]" 1
189 1 9 DA H3' 1 10 DT H4' 4.442 3.554 5.330 5.190 5.190 5.190 . 0 0 "[ ]" 1
190 1 9 DA Q2' 2 5 DT M7 3.279 2.228 4.628 3.452 3.452 3.452 . 0 0 "[ ]" 1
191 1 9 DA H1' 2 5 DT M7 3.380 2.180 4.580 3.123 3.123 3.123 . 0 0 "[ ]" 1
192 1 4 DG H8 2 10 DT H3' 4.225 3.025 5.425 5.439 5.439 5.439 0.014 1 0 "[ ]" 1
193 1 5 DT H6 2 10 DT H1' 4.165 3.700 4.998 5.017 5.017 5.017 0.019 1 0 "[ ]" 1
194 1 5 DT M7 2 10 DT H6 5.000 3.700 6.300 4.255 4.255 4.255 . 0 0 "[ ]" 1
195 1 5 DT H2'' 2 10 DT H1' 5.000 3.700 6.300 6.318 6.318 6.318 0.018 1 0 "[ ]" 1
196 1 5 DT H2' 2 10 DT H1' 5.000 3.700 6.300 5.962 5.962 5.962 . 0 0 "[ ]" 1
197 1 1 DG H8 3 7 DG H1' 3.718 2.518 4.918 3.642 3.642 3.642 . 0 0 "[ ]" 1
198 1 7 DG H8 3 1 DG H8 3.792 3.034 4.550 3.650 3.650 3.650 . 0 0 "[ ]" 1
199 1 7 DG H1' 3 1 DG H1' 4.693 3.293 6.093 4.182 4.182 4.182 . 0 0 "[ ]" 1
200 1 7 DG H8 3 1 DG H3' 3.944 2.544 5.344 4.990 4.990 4.990 . 0 0 "[ ]" 1
201 1 7 DG H8 3 1 DG H4' 2.863 . 4.163 4.197 4.197 4.197 0.034 1 0 "[ ]" 1
202 1 7 DG H1' 3 1 DG H3' 3.563 2.263 4.863 4.901 4.901 4.901 0.038 1 0 "[ ]" 1
203 1 9 DA H2 1 10 DT H1' 4.140 3.312 4.968 4.988 4.988 4.988 0.020 1 0 "[ ]" 1
204 1 5 DT H2' 1 6 DT M7 3.606 2.206 5.006 4.048 4.048 4.048 . 0 0 "[ ]" 1
205 1 4 DG H1' 1 6 DT H1' 5.000 3.700 6.300 6.343 6.343 6.343 0.043 1 0 "[ ]" 1
206 1 5 DT H1' 1 6 DT M7 3.943 2.743 5.143 4.073 4.073 4.073 . 0 0 "[ ]" 1
207 1 5 DT H4' 1 6 DT H1' 4.487 3.087 5.887 4.885 4.885 4.885 . 0 0 "[ ]" 1
208 1 4 DG H1 1 8 DG H8 5.000 3.700 6.300 5.778 5.778 5.778 . 0 0 "[ ]" 1
209 1 7 DG H21 2 3 DG H8 3.000 2.200 3.800 3.805 3.805 3.805 0.005 1 0 "[ ]" 1
210 1 8 DG H1 2 4 DG H8 5.000 3.700 6.300 4.197 4.197 4.197 . 0 0 "[ ]" 1
211 1 7 DG H21 2 2 DC H1' 4.000 3.000 5.000 4.549 4.549 4.549 . 0 0 "[ ]" 1
212 1 3 DG H1 3 1 DG H8 5.000 3.700 6.300 5.897 5.897 5.897 . 0 0 "[ ]" 1
213 1 3 DG H21 3 1 DG H8 5.000 3.700 6.300 4.641 4.641 4.641 . 0 0 "[ ]" 1
214 1 1 DG H1 3 3 DG H1 5.000 3.700 6.300 4.250 4.250 4.250 . 0 0 "[ ]" 1
215 1 1 DG H1 3 3 DG H22 5.000 3.700 6.300 4.560 4.560 4.560 . 0 0 "[ ]" 1
216 1 1 DG H1 3 3 DG H21 5.000 3.700 6.300 4.544 4.544 4.544 . 0 0 "[ ]" 1
217 1 7 DG H1 2 2 DC H6 4.000 3.000 5.000 4.932 4.932 4.932 . 0 0 "[ ]" 1
218 1 7 DG H1 2 2 DC H1' 5.000 3.700 6.300 6.329 6.329 6.329 0.029 1 0 "[ ]" 1
219 1 7 DG H21 2 2 DC H6 4.000 3.000 5.000 3.546 3.546 3.546 . 0 0 "[ ]" 1
220 1 6 DT H3 3 1 DG H1' 4.000 3.000 5.000 4.828 4.828 4.828 . 0 0 "[ ]" 1
221 1 10 DT H3 2 9 DA H62 3.000 2.200 3.800 3.806 3.806 3.806 0.006 1 0 "[ ]" 1
222 1 2 DC H42 1 7 DG H1 4.000 3.000 5.000 5.006 5.006 5.006 0.006 1 0 "[ ]" 1
223 1 1 DG H1 3 3 DG H1' 4.000 3.000 5.000 5.020 5.020 5.020 0.020 1 0 "[ ]" 1
224 1 7 DG H1 2 3 DG H8 5.000 3.700 6.300 5.858 5.858 5.858 . 0 0 "[ ]" 1
225 1 6 DT H3 3 2 DC H1' 5.000 3.700 6.300 5.539 5.539 5.539 . 0 0 "[ ]" 1
226 1 3 DG H22 1 6 DT H3 3.000 2.200 3.800 2.177 2.177 2.177 0.023 1 0 "[ ]" 1
227 1 3 DG H21 1 6 DT H3 3.000 2.200 3.800 3.552 3.552 3.552 . 0 0 "[ ]" 1
228 1 3 DG H1' 1 6 DT H3 3.000 2.200 3.800 3.070 3.070 3.070 . 0 0 "[ ]" 1
229 1 2 DC H41 2 1 DG H3' 5.000 3.200 6.800 6.975 6.975 6.975 0.175 1 0 "[ ]" 1
230 1 1 DG H3' 2 2 DC H41 5.000 3.200 6.800 6.875 6.875 6.875 0.075 1 0 "[ ]" 1
231 3 2 DC H41 4 1 DG H3' 5.000 3.200 6.800 6.916 6.916 6.916 0.116 1 0 "[ ]" 1
232 3 1 DG H3' 4 2 DC H41 5.000 3.200 6.800 6.920 6.920 6.920 0.120 1 0 "[ ]" 1
233 1 8 DG H1 1 9 DA H2 4.000 3.000 5.000 4.029 4.029 4.029 . 0 0 "[ ]" 1
234 1 9 DA H2 1 10 DT H3 4.000 3.000 5.000 3.832 3.832 3.832 . 0 0 "[ ]" 1
235 1 3 DG H1 1 7 DG H8 5.000 3.700 6.300 5.870 5.870 5.870 . 0 0 "[ ]" 1
236 1 3 DG H21 1 7 DG H8 3.000 2.200 3.800 3.799 3.799 3.799 . 0 0 "[ ]" 1
237 1 2 DC H42 1 3 DG H1 5.000 3.700 6.300 4.565 4.565 4.565 . 0 0 "[ ]" 1
238 1 1 DG H3' 1 2 DC H42 5.000 3.700 6.300 4.744 4.744 4.744 . 0 0 "[ ]" 1
239 1 7 DG H1 1 8 DG H1 4.000 3.000 5.000 3.276 3.276 3.276 . 0 0 "[ ]" 1
240 1 3 DG H1 1 7 DG H1 4.000 3.000 5.000 3.999 3.999 3.999 . 0 0 "[ ]" 1
241 1 7 DG H1 1 7 DG H21 3.000 2.200 3.800 2.238 2.238 2.238 . 0 0 "[ ]" 1
242 1 3 DG H1 1 3 DG H21 3.000 2.200 3.800 2.197 2.197 2.197 0.003 1 0 "[ ]" 1
243 1 3 DG H21 1 4 DG H1 4.000 3.000 5.000 3.635 3.635 3.635 . 0 0 "[ ]" 1
244 1 7 DG H21 1 8 DG H1 3.000 2.200 3.800 3.574 3.574 3.574 . 0 0 "[ ]" 1
245 1 4 DG H1 1 4 DG H21 3.000 2.200 3.800 2.458 2.458 2.458 . 0 0 "[ ]" 1
246 1 8 DG H1 1 8 DG H21 3.000 2.200 3.800 2.516 2.516 2.516 . 0 0 "[ ]" 1
247 1 9 DA H61 1 10 DT H3 5.000 3.700 6.300 3.997 3.997 3.997 . 0 0 "[ ]" 1
248 1 2 DC H41 1 3 DG H1 5.000 3.700 6.300 3.877 3.877 3.877 . 0 0 "[ ]" 1
249 1 2 DC H41 1 7 DG H1 4.000 3.000 5.000 4.721 4.721 4.721 . 0 0 "[ ]" 1
250 1 1 DG H1 1 2 DC H41 3.000 2.200 3.800 3.880 3.880 3.880 0.080 1 0 "[ ]" 1
251 1 1 DG H1 1 2 DC H42 4.000 3.000 5.000 4.994 4.994 4.994 . 0 0 "[ ]" 1
252 1 1 DG H1 1 2 DC H6 5.000 3.700 6.300 5.048 5.048 5.048 . 0 0 "[ ]" 1
253 1 1 DG H1 1 1 DG H8 5.000 3.700 6.300 6.260 6.260 6.260 . 0 0 "[ ]" 1
254 1 7 DG H1 1 7 DG H22 3.000 2.200 3.800 3.455 3.455 3.455 . 0 0 "[ ]" 1
255 1 3 DG H22 1 4 DG H1 5.000 3.700 6.300 5.117 5.117 5.117 . 0 0 "[ ]" 1
256 1 4 DG H1 1 4 DG H22 5.000 3.700 6.300 3.675 3.675 3.675 0.025 1 0 "[ ]" 1
257 1 4 DG H1 1 7 DG H8 5.000 3.700 6.300 5.787 5.787 5.787 . 0 0 "[ ]" 1
258 1 1 DG H8 1 2 DC H41 5.000 3.700 6.300 6.288 6.288 6.288 . 0 0 "[ ]" 1
259 1 1 DG H8 1 2 DC H42 5.000 3.700 6.300 5.319 5.319 5.319 . 0 0 "[ ]" 1
260 1 2 DC H42 1 2 DC H6 5.000 3.700 6.300 5.058 5.058 5.058 . 0 0 "[ ]" 1
261 1 2 DC H41 1 2 DC H6 5.000 3.700 6.300 5.588 5.588 5.588 . 0 0 "[ ]" 1
262 1 9 DA H2 1 9 DA H61 4.000 3.000 5.000 4.594 4.594 4.594 . 0 0 "[ ]" 1
263 1 4 DG H21 1 7 DG H8 5.000 3.700 6.300 4.017 4.017 4.017 . 0 0 "[ ]" 1
264 1 3 DG H1 1 4 DG H1 4.000 3.000 5.000 3.339 3.339 3.339 . 0 0 "[ ]" 1
265 1 1 DG H1 1 2 DC H1' 4.000 3.000 5.000 4.328 4.328 4.328 . 0 0 "[ ]" 1
266 1 3 DG H1 1 3 DG H22 3.000 2.200 3.800 3.424 3.424 3.424 . 0 0 "[ ]" 1
267 1 8 DG H1 1 9 DA H1' 3.000 2.200 3.800 3.831 3.831 3.831 0.031 1 0 "[ ]" 1
268 1 4 DG H1 1 7 DG H21 5.000 3.700 6.300 5.751 5.751 5.751 . 0 0 "[ ]" 1
269 1 3 DG H1 1 3 DG H1' 5.000 3.700 6.300 5.945 5.945 5.945 . 0 0 "[ ]" 1
270 1 3 DG H1 1 4 DG H1' 5.000 3.700 6.300 6.306 6.306 6.306 0.006 1 0 "[ ]" 1
271 1 7 DG H22 1 8 DG H1 4.000 3.000 5.000 4.555 4.555 4.555 . 0 0 "[ ]" 1
272 1 4 DG H1 1 9 DA H62 5.000 3.700 6.300 3.675 3.675 3.675 0.025 1 0 "[ ]" 1
273 1 2 DC H41 1 7 DG H21 5.000 3.700 6.300 6.113 6.113 6.113 . 0 0 "[ ]" 1
274 1 2 DC H42 1 7 DG H21 5.000 3.700 6.300 6.321 6.321 6.321 0.021 1 0 "[ ]" 1
275 1 4 DG H22 1 8 DG H8 5.000 3.700 6.300 4.613 4.613 4.613 . 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 102
_Distance_constraint_stats_list.Viol_count 53
_Distance_constraint_stats_list.Viol_total 1.102
_Distance_constraint_stats_list.Viol_max 0.087
_Distance_constraint_stats_list.Viol_rms 0.0161
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0108
_Distance_constraint_stats_list.Viol_average_violations_only 0.0208
_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 0.168 0.056 1 0 "[ ]"
1 2 DC 0.149 0.087 1 0 "[ ]"
1 3 DG 0.237 0.053 1 0 "[ ]"
1 6 DT 0.087 0.053 1 0 "[ ]"
1 7 DG 0.157 0.039 1 0 "[ ]"
1 9 DA 0.032 0.012 1 0 "[ ]"
2 1 DG 0.090 0.037 1 0 "[ ]"
2 2 DC 0.036 0.034 1 0 "[ ]"
2 3 DG 0.129 0.034 1 0 "[ ]"
2 6 DT 0.026 0.021 1 0 "[ ]"
2 7 DG 0.096 0.029 1 0 "[ ]"
2 9 DA 0.032 0.012 1 0 "[ ]"
3 1 DG 0.100 0.087 1 0 "[ ]"
3 2 DC 0.107 0.054 1 0 "[ ]"
3 3 DG 0.108 0.042 1 0 "[ ]"
3 6 DT 0.013 0.007 1 0 "[ ]"
3 7 DG 0.102 0.042 1 0 "[ ]"
3 9 DA 0.021 0.005 1 0 "[ ]"
4 1 DG 0.085 0.040 1 0 "[ ]"
4 2 DC 0.151 0.056 1 0 "[ ]"
4 3 DG 0.132 0.039 1 0 "[ ]"
4 6 DT 0.035 0.021 1 0 "[ ]"
4 7 DG 0.091 0.039 1 0 "[ ]"
4 9 DA 0.021 0.005 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 1 9 DA H61 2 9 DA N1 1.970 . 2.120 1.998 1.998 1.998 . 0 0 "[ ]" 2
2 1 9 DA N1 2 9 DA H61 1.970 . 2.120 1.808 1.808 1.808 0.012 1 0 "[ ]" 2
3 3 9 DA N1 4 9 DA H61 1.970 . 2.120 1.815 1.815 1.815 0.005 1 0 "[ ]" 2
4 3 9 DA H61 4 9 DA N1 1.970 . 2.120 1.815 1.815 1.815 0.005 1 0 "[ ]" 2
5 1 9 DA H61 2 9 DA H2 2.640 2.490 2.790 2.608 2.608 2.608 . 0 0 "[ ]" 2
6 1 9 DA H2 2 9 DA H61 2.640 2.490 2.790 2.479 2.479 2.479 0.011 1 0 "[ ]" 2
7 3 9 DA H2 4 9 DA H61 2.640 2.490 2.790 2.487 2.487 2.487 0.003 1 0 "[ ]" 2
8 3 9 DA H61 4 9 DA H2 2.640 2.490 2.790 2.486 2.486 2.486 0.004 1 0 "[ ]" 2
9 1 9 DA N1 2 9 DA N1 3.540 3.390 3.690 3.421 3.421 3.421 . 0 0 "[ ]" 2
10 3 9 DA N1 4 9 DA N1 3.540 3.390 3.690 3.386 3.386 3.386 0.004 1 0 "[ ]" 2
11 1 9 DA H2 2 9 DA N1 4.800 4.650 4.950 4.928 4.928 4.928 . 0 0 "[ ]" 2
12 1 9 DA N1 2 9 DA H2 4.800 4.650 4.950 4.958 4.958 4.958 0.008 1 0 "[ ]" 2
13 3 9 DA N1 4 9 DA H2 4.800 4.650 4.950 4.910 4.910 4.910 . 0 0 "[ ]" 2
14 3 9 DA H2 4 9 DA N1 4.800 4.650 4.950 4.911 4.911 4.911 . 0 0 "[ ]" 2
15 2 2 DC N3 4 1 DG H1 1.990 . 2.140 2.128 2.128 2.128 . 0 0 "[ ]" 2
16 2 2 DC N3 4 1 DG N1 2.900 2.750 3.050 2.825 2.825 2.825 . 0 0 "[ ]" 2
17 2 1 DG O6 4 2 DC H41 1.950 . 2.100 2.117 2.117 2.117 0.017 1 0 "[ ]" 2
18 2 1 DG O6 4 2 DC N4 2.950 2.800 3.100 2.763 2.763 2.763 0.037 1 0 "[ ]" 2
19 2 2 DC O2 4 1 DG H21 1.950 . 2.100 2.103 2.103 2.103 0.003 1 0 "[ ]" 2
20 2 2 DC O2 4 1 DG N2 2.950 2.800 3.100 2.879 2.879 2.879 . 0 0 "[ ]" 2
21 1 2 DC H42 4 1 DG N7 2.200 2.050 2.350 2.317 2.317 2.317 . 0 0 "[ ]" 2
22 1 2 DC N4 4 1 DG N7 3.000 2.850 3.150 3.190 3.190 3.190 0.040 1 0 "[ ]" 2
23 1 2 DC H42 4 1 DG O6 2.200 2.050 2.350 2.041 2.041 2.041 0.009 1 0 "[ ]" 2
24 1 2 DC N4 4 1 DG O6 2.700 2.550 2.850 2.763 2.763 2.763 . 0 0 "[ ]" 2
25 2 2 DC H42 3 1 DG N7 2.200 2.050 2.350 2.071 2.071 2.071 . 0 0 "[ ]" 2
26 2 2 DC N4 3 1 DG N7 3.000 2.850 3.150 3.051 3.051 3.051 . 0 0 "[ ]" 2
27 2 2 DC H42 3 1 DG O6 2.200 2.050 2.350 2.137 2.137 2.137 . 0 0 "[ ]" 2
28 2 2 DC N4 3 1 DG O6 2.700 2.550 2.850 2.697 2.697 2.697 . 0 0 "[ ]" 2
29 1 2 DC N3 3 1 DG H1 1.990 . 2.140 2.092 2.092 2.092 . 0 0 "[ ]" 2
30 1 2 DC N3 3 1 DG N1 2.900 2.750 3.050 2.832 2.832 2.832 . 0 0 "[ ]" 2
31 1 1 DG O6 3 2 DC H41 1.950 . 2.100 2.088 2.088 2.088 . 0 0 "[ ]" 2
32 1 1 DG O6 3 2 DC N4 2.950 2.800 3.100 2.746 2.746 2.746 0.054 1 0 "[ ]" 2
33 1 2 DC O2 3 1 DG H21 1.950 . 2.100 2.113 2.113 2.113 0.013 1 0 "[ ]" 2
34 1 2 DC O2 3 1 DG N2 2.950 2.800 3.100 2.961 2.961 2.961 . 0 0 "[ ]" 2
35 2 1 DG H1 4 2 DC N3 1.990 . 2.140 2.147 2.147 2.147 0.007 1 0 "[ ]" 2
36 2 1 DG N1 4 2 DC N3 2.900 2.750 3.050 2.859 2.859 2.859 . 0 0 "[ ]" 2
37 2 2 DC H41 4 1 DG O6 1.950 . 2.100 2.060 2.060 2.060 . 0 0 "[ ]" 2
38 2 2 DC N4 4 1 DG O6 2.950 2.800 3.100 2.766 2.766 2.766 0.034 1 0 "[ ]" 2
39 2 1 DG H21 4 2 DC O2 1.950 . 2.100 2.110 2.110 2.110 0.010 1 0 "[ ]" 2
40 2 1 DG N2 4 2 DC O2 2.950 2.800 3.100 2.928 2.928 2.928 . 0 0 "[ ]" 2
41 2 1 DG N7 3 2 DC H42 2.200 2.050 2.350 2.201 2.201 2.201 . 0 0 "[ ]" 2
42 2 1 DG N7 3 2 DC N4 3.000 2.850 3.150 3.140 3.140 3.140 . 0 0 "[ ]" 2
43 2 1 DG O6 3 2 DC H42 2.200 2.050 2.350 2.031 2.031 2.031 0.019 1 0 "[ ]" 2
44 2 1 DG O6 3 2 DC N4 2.700 2.550 2.850 2.568 2.568 2.568 . 0 0 "[ ]" 2
45 1 1 DG N7 4 2 DC H42 2.200 2.050 2.350 2.218 2.218 2.218 . 0 0 "[ ]" 2
46 1 1 DG N7 4 2 DC N4 3.000 2.850 3.150 3.206 3.206 3.206 0.056 1 0 "[ ]" 2
47 1 1 DG O6 4 2 DC H42 2.200 2.050 2.350 2.042 2.042 2.042 0.008 1 0 "[ ]" 2
48 1 1 DG O6 4 2 DC N4 2.700 2.550 2.850 2.534 2.534 2.534 0.016 1 0 "[ ]" 2
49 1 1 DG H1 3 2 DC N3 1.990 . 2.140 1.907 1.907 1.907 . 0 0 "[ ]" 2
50 1 1 DG N1 3 2 DC N3 2.900 2.750 3.050 2.726 2.726 2.726 0.024 1 0 "[ ]" 2
51 1 2 DC H41 3 1 DG O6 1.950 . 2.100 1.818 1.818 1.818 . 0 0 "[ ]" 2
52 1 2 DC N4 3 1 DG O6 2.950 2.800 3.100 2.713 2.713 2.713 0.087 1 0 "[ ]" 2
53 1 1 DG H21 3 2 DC O2 1.950 . 2.100 1.977 1.977 1.977 . 0 0 "[ ]" 2
54 1 1 DG N2 3 2 DC O2 2.950 2.800 3.100 2.791 2.791 2.791 0.009 1 0 "[ ]" 2
55 1 7 DG H21 2 3 DG N7 1.990 . 2.140 2.145 2.145 2.145 0.005 1 0 "[ ]" 2
56 1 7 DG N2 2 3 DG N7 2.900 2.750 3.050 2.930 2.930 2.930 . 0 0 "[ ]" 2
57 1 7 DG H1 2 3 DG O6 1.950 . 2.100 1.782 1.782 1.782 0.018 1 0 "[ ]" 2
58 1 7 DG N1 2 3 DG O6 2.950 2.800 3.100 2.766 2.766 2.766 0.034 1 0 "[ ]" 2
59 2 3 DG H21 2 7 DG N7 1.990 . 2.140 2.061 2.061 2.061 . 0 0 "[ ]" 2
60 2 3 DG N2 2 7 DG N7 2.900 2.750 3.050 2.997 2.997 2.997 . 0 0 "[ ]" 2
61 2 3 DG H1 2 7 DG O6 1.950 . 2.100 1.783 1.783 1.783 0.017 1 0 "[ ]" 2
62 2 3 DG N1 2 7 DG O6 2.950 2.800 3.100 2.771 2.771 2.771 0.029 1 0 "[ ]" 2
63 1 3 DG N7 2 7 DG H21 1.990 . 2.140 2.161 2.161 2.161 0.021 1 0 "[ ]" 2
64 1 3 DG N7 2 7 DG N2 2.900 2.750 3.050 3.056 3.056 3.056 0.006 1 0 "[ ]" 2
65 1 3 DG O6 2 7 DG H1 1.950 . 2.100 1.822 1.822 1.822 . 0 0 "[ ]" 2
66 1 3 DG O6 2 7 DG N1 2.950 2.800 3.100 2.777 2.777 2.777 0.023 1 0 "[ ]" 2
67 1 3 DG H21 1 7 DG N7 1.990 . 2.140 1.870 1.870 1.870 . 0 0 "[ ]" 2
68 1 3 DG N2 1 7 DG N7 2.900 2.750 3.050 2.712 2.712 2.712 0.038 1 0 "[ ]" 2
69 1 3 DG H1 1 7 DG O6 1.950 . 2.100 1.777 1.777 1.777 0.023 1 0 "[ ]" 2
70 1 3 DG N1 1 7 DG O6 2.950 2.800 3.100 2.761 2.761 2.761 0.039 1 0 "[ ]" 2
71 3 7 DG H21 4 3 DG N7 1.990 . 2.140 2.149 2.149 2.149 0.009 1 0 "[ ]" 2
72 3 7 DG N2 4 3 DG N7 2.900 2.750 3.050 3.016 3.016 3.016 . 0 0 "[ ]" 2
73 3 7 DG H1 4 3 DG O6 1.950 . 2.100 1.803 1.803 1.803 . 0 0 "[ ]" 2
74 3 7 DG N1 4 3 DG O6 2.950 2.800 3.100 2.761 2.761 2.761 0.039 1 0 "[ ]" 2
75 4 3 DG H21 4 7 DG N7 1.990 . 2.140 2.151 2.151 2.151 0.011 1 0 "[ ]" 2
76 4 3 DG N2 4 7 DG N7 2.900 2.750 3.050 2.990 2.990 2.990 . 0 0 "[ ]" 2
77 4 3 DG H1 4 7 DG O6 1.950 . 2.100 1.800 1.800 1.800 . 0 0 "[ ]" 2
78 4 3 DG N1 4 7 DG O6 2.950 2.800 3.100 2.761 2.761 2.761 0.039 1 0 "[ ]" 2
79 3 3 DG N7 4 7 DG H21 1.990 . 2.140 2.156 2.156 2.156 0.016 1 0 "[ ]" 2
80 3 3 DG N7 4 7 DG N2 2.900 2.750 3.050 3.030 3.030 3.030 . 0 0 "[ ]" 2
81 3 3 DG O6 4 7 DG H1 1.950 . 2.100 1.835 1.835 1.835 . 0 0 "[ ]" 2
82 3 3 DG O6 4 7 DG N1 2.950 2.800 3.100 2.775 2.775 2.775 0.025 1 0 "[ ]" 2
83 3 3 DG H21 3 7 DG N7 1.990 . 2.140 2.064 2.064 2.064 . 0 0 "[ ]" 2
84 3 3 DG N2 3 7 DG N7 2.900 2.750 3.050 2.852 2.852 2.852 . 0 0 "[ ]" 2
85 3 3 DG H1 3 7 DG O6 1.950 . 2.100 1.788 1.788 1.788 0.012 1 0 "[ ]" 2
86 3 3 DG N1 3 7 DG O6 2.950 2.800 3.100 2.758 2.758 2.758 0.042 1 0 "[ ]" 2
87 1 3 DG H22 1 6 DT O2 1.990 . 2.140 1.827 1.827 1.827 0.013 1 0 "[ ]" 2
88 1 3 DG N2 1 6 DT O2 2.900 2.750 3.050 2.729 2.729 2.729 0.021 1 0 "[ ]" 2
89 2 3 DG H22 2 6 DT O2 2.200 2.050 2.350 2.029 2.029 2.029 0.021 1 0 "[ ]" 2
90 2 3 DG N2 2 6 DT O2 2.700 2.550 2.850 2.620 2.620 2.620 . 0 0 "[ ]" 2
91 3 3 DG H22 3 6 DT O2 1.990 . 2.140 1.996 1.996 1.996 . 0 0 "[ ]" 2
92 3 3 DG N2 3 6 DT O2 2.900 2.750 3.050 2.744 2.744 2.744 0.006 1 0 "[ ]" 2
93 4 3 DG H22 4 6 DT O2 2.200 2.050 2.350 2.029 2.029 2.029 0.021 1 0 "[ ]" 2
94 4 3 DG N2 4 6 DT O2 2.700 2.550 2.850 2.750 2.750 2.750 . 0 0 "[ ]" 2
95 1 3 DG N3 1 6 DT H3 1.990 . 2.140 2.092 2.092 2.092 . 0 0 "[ ]" 2
96 1 3 DG N3 1 6 DT N3 2.900 2.750 3.050 3.103 3.103 3.103 0.053 1 0 "[ ]" 2
97 2 3 DG N3 2 6 DT H3 1.990 . 2.140 2.084 2.084 2.084 . 0 0 "[ ]" 2
98 2 3 DG N3 2 6 DT N3 2.900 2.750 3.050 3.055 3.055 3.055 0.005 1 0 "[ ]" 2
99 3 3 DG N3 3 6 DT H3 1.990 . 2.140 2.102 2.102 2.102 . 0 0 "[ ]" 2
100 3 3 DG N3 3 6 DT N3 2.900 2.750 3.050 3.057 3.057 3.057 0.007 1 0 "[ ]" 2
101 4 3 DG N3 4 6 DT H3 1.990 . 2.140 2.103 2.103 2.103 . 0 0 "[ ]" 2
102 4 3 DG N3 4 6 DT N3 2.900 2.750 3.050 3.064 3.064 3.064 0.014 1 0 "[ ]" 2
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