NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
384689 |
1kos   |
4984 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1kos
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 240
_Distance_constraint_stats_list.Viol_count 517
_Distance_constraint_stats_list.Viol_total 1028.760
_Distance_constraint_stats_list.Viol_max 2.224
_Distance_constraint_stats_list.Viol_rms 0.2667
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0670
_Distance_constraint_stats_list.Viol_average_violations_only 0.2487
_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 C 18.526 1.942 2 8 [*+******]
1 2 U 5.384 1.560 2 1 "[ + . ]"
1 3 G 19.106 1.507 2 8 [*+*****-]
1 4 U 15.402 1.507 2 8 [*+*****-]
1 5 G 28.936 2.110 7 8 [**-***+*]
1 6 5MU 12.339 0.948 5 8 [**-*+***]
1 7 U 3.619 0.344 3 0 "[ . ]"
1 8 C 3.747 0.346 2 0 "[ . ]"
1 9 G 2.744 0.145 3 0 "[ . ]"
1 10 A 2.158 0.179 3 0 "[ . ]"
1 11 U 1.331 0.104 2 0 "[ . ]"
1 12 CH 1.495 0.123 1 0 "[ . ]"
1 13 C 9.452 1.447 1 7 "[+***** -]"
1 14 A 24.521 2.110 7 8 [******+-]
1 15 C 7.173 0.251 5 0 "[ . ]"
1 16 A 31.446 2.224 1 8 [+****-**]
1 17 G 34.789 2.224 1 8 [+-******]
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 10 A H2 1 13 C H6 4.500 . 5.400 3.978 3.468 4.823 . 0 0 "[ . ]" 1
2 1 4 U H6 1 5 G H8 4.500 . 5.400 4.821 4.428 5.424 0.024 1 0 "[ . ]" 1
3 1 14 A H8 1 15 C H6 4.500 . 5.400 4.587 4.197 4.900 . 0 0 "[ . ]" 1
4 1 15 C H6 1 16 A H8 4.800 . 5.800 3.267 3.193 3.362 . 0 0 "[ . ]" 1
5 1 5 G H8 1 6 5MU H6 4.300 . 5.200 4.974 4.514 5.198 . 0 0 "[ . ]" 1
6 1 16 A H8 1 17 G H8 4.900 . 5.900 4.640 4.346 4.987 . 0 0 "[ . ]" 1
7 1 12 CH H5 1 12 CH H6 2.400 . 2.900 2.425 2.387 2.486 . 0 0 "[ . ]" 1
8 1 8 C H5 1 8 C H6 2.400 . 2.900 2.357 2.341 2.367 . 0 0 "[ . ]" 1
9 1 12 CH H1' 1 12 CH H6 3.700 . 4.400 3.760 3.739 3.786 . 0 0 "[ . ]" 1
10 1 12 CH H1' 1 13 C H6 3.500 . 4.200 3.240 2.500 3.906 . 0 0 "[ . ]" 1
11 1 7 U H1' 1 7 U H6 3.600 . 4.300 3.397 3.348 3.440 . 0 0 "[ . ]" 1
12 1 14 A H1' 1 14 A H8 4.000 . 4.800 3.801 3.678 3.853 . 0 0 "[ . ]" 1
13 1 10 A H1' 1 10 A H8 2.900 . 3.500 3.328 3.183 3.418 . 0 0 "[ . ]" 1
14 1 16 A H1' 1 17 G H8 4.300 . 5.200 4.422 4.073 4.820 . 0 0 "[ . ]" 1
15 1 16 A H1' 1 16 A H8 3.500 . 4.200 3.609 3.524 3.716 . 0 0 "[ . ]" 1
16 1 16 A H1' 1 16 A H2 5.100 . 6.100 4.354 4.175 4.491 . 0 0 "[ . ]" 1
17 1 3 G H1' 1 3 G H8 3.800 . 4.600 3.495 3.473 3.522 . 0 0 "[ . ]" 1
18 1 3 G H1' 1 4 U H6 3.700 . 4.400 4.455 4.430 4.534 0.134 5 0 "[ . ]" 1
19 1 3 G H1' 1 16 A H2 3.500 . 4.200 4.284 4.266 4.294 0.094 5 0 "[ . ]" 1
20 1 6 5MU H1' 1 7 U H6 3.300 . 4.000 3.372 2.466 4.024 0.024 1 0 "[ . ]" 1
21 1 6 5MU H1' 1 6 5MU H6 3.600 . 4.300 3.416 3.328 3.476 . 0 0 "[ . ]" 1
22 1 17 G H1' 1 17 G H8 3.500 . 4.200 3.504 3.444 3.589 . 0 0 "[ . ]" 1
23 1 16 A H2 1 17 G H1' 3.500 . 4.200 4.257 4.228 4.291 0.091 2 0 "[ . ]" 1
24 1 5 G H1' 1 5 G H8 3.600 . 4.300 3.221 3.152 3.347 . 0 0 "[ . ]" 1
25 1 5 G H1' 1 14 A H2 3.100 . 3.700 2.175 2.016 2.246 . 0 0 "[ . ]" 1
26 1 5 G H1' 1 6 5MU H6 4.600 . 5.500 3.708 3.215 4.431 . 0 0 "[ . ]" 1
27 1 2 U H1' 1 2 U H6 3.900 . 4.700 3.717 3.676 3.760 . 0 0 "[ . ]" 1
28 1 2 U H1' 1 3 G H8 4.200 . 5.000 2.596 2.324 2.946 . 0 0 "[ . ]" 1
29 1 1 C H1' 1 1 C H6 3.200 . 3.800 3.553 3.503 3.591 . 0 0 "[ . ]" 1
30 1 4 U H1' 1 5 G H8 2.800 . 3.400 2.895 2.296 3.413 0.013 5 0 "[ . ]" 1
31 1 8 C H1' 1 8 C H6 3.200 . 3.800 3.711 3.660 3.732 . 0 0 "[ . ]" 1
32 1 14 A H8 1 15 C H5 3.900 . 4.700 3.356 3.032 3.703 . 0 0 "[ . ]" 1
33 1 4 U H1' 1 4 U H6 3.300 . 4.000 3.684 3.665 3.704 . 0 0 "[ . ]" 1
34 1 15 C H5 1 15 C H6 2.500 . 3.000 2.547 2.519 2.569 . 0 0 "[ . ]" 1
35 1 13 C H5 1 13 C H6 2.500 . 3.000 2.576 2.497 2.657 . 0 0 "[ . ]" 1
36 1 2 U H5 1 2 U H6 2.400 . 2.900 2.295 2.244 2.316 . 0 0 "[ . ]" 1
37 1 15 C H1' 1 16 A H8 4.100 . 4.900 4.817 4.678 4.910 0.010 6 0 "[ . ]" 1
38 1 15 C H1' 1 15 C H6 3.400 . 4.100 3.536 3.490 3.575 . 0 0 "[ . ]" 1
39 1 14 A H2 1 15 C H1' 3.700 . 4.400 4.197 4.078 4.415 0.015 8 0 "[ . ]" 1
40 1 13 C H1' 1 14 A H8 5.200 . 6.200 3.944 3.443 4.552 . 0 0 "[ . ]" 1
41 1 10 A H2 1 13 C H1' 4.200 . 5.000 4.050 3.228 4.777 . 0 0 "[ . ]" 1
42 1 13 C H1' 1 13 C H6 3.500 . 4.200 3.340 3.089 3.468 . 0 0 "[ . ]" 1
43 1 10 A H2' 1 10 A H8 2.600 . 3.100 2.382 2.297 2.492 . 0 0 "[ . ]" 1
44 1 4 U H5 1 4 U H6 2.400 . 2.900 2.344 2.300 2.373 . 0 0 "[ . ]" 1
45 1 9 G H3' 1 9 G H8 3.600 . 4.300 4.317 4.254 4.350 0.050 7 0 "[ . ]" 1
46 1 14 A H3' 1 14 A H8 3.100 . 3.700 3.662 3.456 3.754 0.054 2 0 "[ . ]" 1
47 1 14 A H3' 1 15 C H6 3.500 . 4.200 4.328 4.273 4.370 0.170 4 0 "[ . ]" 1
48 1 10 A H3' 1 10 A H8 3.700 . 4.400 4.455 4.427 4.478 0.078 2 0 "[ . ]" 1
49 1 13 C H3' 1 14 A H8 4.100 . 4.900 4.361 2.890 4.746 . 0 0 "[ . ]" 1
50 1 1 C H5 1 1 C H6 2.400 . 2.900 2.659 2.642 2.681 . 0 0 "[ . ]" 1
51 1 1 C H1' 1 2 U H6 3.400 . 4.100 3.990 2.493 4.238 0.138 7 0 "[ . ]" 1
52 1 3 G H8 1 4 U H5 3.300 . 4.000 3.156 3.023 3.268 . 0 0 "[ . ]" 1
53 1 7 U H2' 1 7 U H6 2.700 . 3.200 1.959 1.927 2.002 . 0 0 "[ . ]" 1
54 1 16 A H3' 1 16 A H8 3.000 . 3.600 3.664 3.637 3.704 0.104 6 0 "[ . ]" 1
55 1 16 A H3' 1 17 G H8 3.400 . 4.100 4.144 4.066 4.211 0.111 1 0 "[ . ]" 1
56 1 11 U H2' 1 11 U H6 2.500 . 3.000 2.359 2.121 2.427 . 0 0 "[ . ]" 1
57 1 10 A H4' 1 10 A H8 6.800 . 8.200 5.433 5.414 5.470 . 0 0 "[ . ]" 1
58 1 1 C H2' 1 2 U H6 2.100 . 2.500 2.616 2.270 4.060 1.560 2 1 "[ + . ]" 1
59 1 15 C H3' 1 15 C H6 2.200 . 2.600 2.161 1.936 2.311 . 0 0 "[ . ]" 1
60 1 15 C H3' 1 16 A H8 2.600 . 3.100 3.219 3.184 3.257 0.157 4 0 "[ . ]" 1
61 1 14 A H4' 1 14 A H8 4.800 . 5.800 4.476 4.250 4.613 . 0 0 "[ . ]" 1
62 1 5 G H3' 1 5 G H8 2.300 . 2.800 2.863 2.656 2.938 0.138 5 0 "[ . ]" 1
63 1 12 CH H2' 1 12 CH H6 2.400 . 2.900 2.070 1.973 2.355 . 0 0 "[ . ]" 1
64 1 16 A H2' 1 17 G H8 2.500 . 3.000 2.908 2.638 3.170 0.170 2 0 "[ . ]" 1
65 1 16 A H2' 1 16 A H8 2.800 . 3.400 2.283 2.180 2.366 . 0 0 "[ . ]" 1
66 1 16 A H2 1 16 A H2' 4.100 . 4.900 6.243 6.134 6.392 1.492 1 8 [+****-**] 1
67 1 13 C H2' 1 14 A H8 2.400 . 2.900 3.599 2.298 4.347 1.447 1 7 "[+***** -]" 1
68 1 1 C H3' 1 1 C H6 3.800 . 4.600 3.726 3.534 4.045 . 0 0 "[ . ]" 1
69 1 8 C H3' 1 8 C H6 2.500 . 3.000 3.305 3.263 3.346 0.346 2 0 "[ . ]" 1
70 1 7 U H3' 1 7 U H6 3.000 . 3.600 3.671 3.640 3.745 0.145 6 0 "[ . ]" 1
71 1 5 G H2' 1 5 G H8 3.000 . 3.600 2.823 2.649 2.986 . 0 0 "[ . ]" 1
72 1 5 G H2' 1 6 5MU H6 2.300 . 2.800 2.776 1.936 3.370 0.570 7 1 "[ . + ]" 1
73 1 15 C H2' 1 15 C H6 3.100 . 3.700 2.364 2.316 2.453 . 0 0 "[ . ]" 1
74 1 15 C H2' 1 16 A H8 2.400 . 2.900 2.086 1.958 2.179 . 0 0 "[ . ]" 1
75 1 17 G H3' 1 17 G H8 2.700 . 3.200 3.326 3.275 3.493 0.293 6 0 "[ . ]" 1
76 1 8 C H2' 1 9 G H8 4.800 . 5.800 4.597 4.066 4.831 . 0 0 "[ . ]" 1
77 1 8 C H2' 1 8 C H6 2.200 . 2.600 1.693 1.676 1.716 0.124 5 0 "[ . ]" 1
78 1 5 G H4' 1 5 G H8 2.900 . 3.500 3.626 3.565 3.702 0.202 3 0 "[ . ]" 1
79 1 8 C H4' 1 8 C H6 3.900 . 4.700 4.375 4.208 4.461 . 0 0 "[ . ]" 1
80 1 9 G H4' 1 9 G H8 3.100 . 3.700 3.829 3.816 3.845 0.145 3 0 "[ . ]" 1
81 1 9 G H4' 1 10 A H8 3.400 . 4.100 3.977 3.543 4.148 0.048 6 0 "[ . ]" 1
82 1 17 G H2' 1 17 G H8 3.000 . 3.600 2.309 2.254 2.394 . 0 0 "[ . ]" 1
83 1 8 C H5' 1 9 G H8 3.900 . 4.700 3.979 3.309 4.662 . 0 0 "[ . ]" 1
84 1 8 C H5' 1 8 C H6 3.600 . 4.300 3.191 2.970 3.373 . 0 0 "[ . ]" 1
85 1 9 G H5' 1 9 G H8 3.300 . 4.000 3.820 3.745 3.898 . 0 0 "[ . ]" 1
86 1 6 5MU H3' 1 6 5MU H6 2.400 . 2.900 2.354 2.193 2.536 . 0 0 "[ . ]" 1
87 1 10 A H1' 1 13 C H5 3.600 . 4.300 2.554 2.254 2.923 . 0 0 "[ . ]" 1
88 1 12 CH H1' 1 13 C H5 2.500 . 3.000 3.079 3.003 3.123 0.123 1 0 "[ . ]" 1
89 1 1 C H5 1 2 U H5 6.800 . 8.200 4.364 4.155 4.918 . 0 0 "[ . ]" 1
90 1 2 U H5 1 12 CH H5 3.800 . 4.600 3.304 2.757 3.884 . 0 0 "[ . ]" 1
91 1 10 A H1' 1 10 A H2' 3.300 . 4.000 3.081 3.056 3.118 . 0 0 "[ . ]" 1
92 1 11 U H5 1 12 CH H5 4.800 . 5.800 5.199 3.435 5.833 0.033 8 0 "[ . ]" 1
93 1 6 5MU H1' 1 7 U H5 4.100 . 4.900 2.344 1.823 3.386 . 0 0 "[ . ]" 1
94 1 14 A H3' 1 15 C H5 4.100 . 4.900 4.741 4.507 4.867 . 0 0 "[ . ]" 1
95 1 11 U H3' 1 12 CH H5 3.200 . 3.800 3.711 3.455 3.857 0.057 3 0 "[ . ]" 1
96 1 11 U H4' 1 12 CH H5 5.100 . 6.100 5.655 5.324 6.008 . 0 0 "[ . ]" 1
97 1 7 U H4' 1 8 C H5 4.200 . 5.000 3.737 2.028 4.531 . 0 0 "[ . ]" 1
98 1 8 C H2' 1 8 C H5 3.500 . 4.200 3.983 3.960 4.040 . 0 0 "[ . ]" 1
99 1 13 C H1' 1 13 C H4' 5.100 . 6.100 3.162 2.295 3.782 . 0 0 "[ . ]" 1
100 1 8 C H1' 1 8 C H5'' 3.500 . 4.200 4.054 3.990 4.210 0.010 2 0 "[ . ]" 1
101 1 8 C H1' 1 8 C H4' 3.200 . 3.800 3.755 3.699 3.827 0.027 3 0 "[ . ]" 1
102 1 8 C H1' 1 8 C H2' 3.000 . 3.600 3.007 2.924 3.032 . 0 0 "[ . ]" 1
103 1 7 U H1' 1 7 U H2' 3.600 . 4.300 3.085 3.045 3.106 . 0 0 "[ . ]" 1
104 1 6 5MU H1' 1 7 U H2' 3.800 . 4.600 3.838 3.248 4.247 . 0 0 "[ . ]" 1
105 1 16 A H1' 1 16 A H3' 4.300 . 5.200 3.915 3.846 3.960 . 0 0 "[ . ]" 1
106 1 11 U H1' 1 11 U H2' 3.300 . 4.000 2.688 2.629 2.999 . 0 0 "[ . ]" 1
107 1 3 G H1' 1 3 G H3' 3.200 . 3.800 3.827 3.813 3.845 0.045 4 0 "[ . ]" 1
108 1 10 A H1' 1 10 A H4' 3.000 . 3.600 2.929 2.760 3.067 . 0 0 "[ . ]" 1
109 1 1 C H1' 1 1 C H2' 2.700 . 3.200 2.939 2.918 2.974 . 0 0 "[ . ]" 1
110 1 11 U H1' 1 11 U H3' 2.900 . 3.500 3.582 3.555 3.604 0.104 2 0 "[ . ]" 1
111 1 3 G H1' 1 3 G H2' 2.700 . 3.200 2.997 2.966 3.011 . 0 0 "[ . ]" 1
112 1 7 U H1' 1 7 U H4' 3.300 . 4.000 3.517 3.314 3.601 . 0 0 "[ . ]" 1
113 1 5 G H1' 1 5 G H3' 3.100 . 3.700 3.747 3.695 3.786 0.086 1 0 "[ . ]" 1
114 1 14 A H1' 1 14 A H2' 2.900 . 3.500 3.062 3.037 3.077 . 0 0 "[ . ]" 1
115 1 6 5MU H1' 1 6 5MU H3' 2.700 . 3.200 3.439 3.378 3.509 0.309 2 0 "[ . ]" 1
116 1 16 A H1' 1 16 A H2' 2.600 . 3.100 3.073 3.055 3.085 . 0 0 "[ . ]" 1
117 1 1 C H1' 1 1 C H3' 3.200 . 3.800 3.594 3.425 3.660 . 0 0 "[ . ]" 1
118 1 7 U H1' 1 7 U H3' 4.300 . 5.200 3.885 3.819 3.960 . 0 0 "[ . ]" 1
119 1 5 G H1' 1 5 G H2' 2.600 . 3.100 2.921 2.826 2.968 . 0 0 "[ . ]" 1
120 1 15 C H2' 1 16 A H1' 3.800 . 4.600 4.045 3.787 4.332 . 0 0 "[ . ]" 1
121 1 6 5MU H1' 1 6 5MU H2' 2.900 . 3.500 2.649 2.413 2.964 . 0 0 "[ . ]" 1
122 1 17 G H1' 1 17 G H3' 3.100 . 3.700 3.797 3.766 3.821 0.121 6 0 "[ . ]" 1
123 1 17 G H1' 1 17 G H2' 2.900 . 3.500 3.069 3.063 3.074 . 0 0 "[ . ]" 1
124 1 1 C H2' 1 2 U H5 2.900 . 3.500 2.438 2.178 3.529 0.029 2 0 "[ . ]" 1
125 1 15 C H1' 1 15 C H2' 2.600 . 3.100 2.906 2.848 2.950 . 0 0 "[ . ]" 1
126 1 8 C H1' 1 8 C H3' 4.000 . 4.800 3.861 3.796 3.947 . 0 0 "[ . ]" 1
127 1 12 CH H1' 1 12 CH H2' 3.500 . 4.200 3.082 3.022 3.110 . 0 0 "[ . ]" 1
128 1 8 C H2' 1 8 C H5'' 3.100 . 3.700 2.098 1.959 2.224 . 0 0 "[ . ]" 1
129 1 8 C H3' 1 8 C H5' 2.500 . 3.000 2.032 1.955 2.139 . 0 0 "[ . ]" 1
130 1 9 G H3' 1 9 G H5'' 2.700 . 3.200 2.818 2.711 2.908 . 0 0 "[ . ]" 1
131 1 3 G H3' 1 4 U H5 3.100 . 3.700 3.771 3.749 3.799 0.099 7 0 "[ . ]" 1
132 1 10 A H3' 1 10 A H4' 2.700 . 3.200 2.837 2.758 2.927 . 0 0 "[ . ]" 1
133 1 14 A H3' 1 14 A H4' 3.000 . 3.600 2.861 2.775 2.950 . 0 0 "[ . ]" 1
134 1 3 G H2' 1 4 U H5 3.500 . 4.200 2.499 2.462 2.532 . 0 0 "[ . ]" 1
135 1 13 C H1' 1 13 C H2' 3.200 . 3.800 2.985 2.562 3.065 . 0 0 "[ . ]" 1
136 1 13 C H2' 1 13 C H3' 2.700 . 3.200 2.172 2.044 2.462 . 0 0 "[ . ]" 1
137 1 9 G H3' 1 9 G H4' 2.200 . 2.600 2.645 2.627 2.663 0.063 3 0 "[ . ]" 1
138 1 9 G H1' 1 9 G H4' 2.600 . 3.100 3.220 3.210 3.238 0.138 6 0 "[ . ]" 1
139 1 9 G H3' 1 9 G H5' 2.400 . 2.900 2.402 2.324 2.580 . 0 0 "[ . ]" 1
140 1 10 A H2' 1 10 A H3' 2.900 . 3.500 2.239 2.168 2.275 . 0 0 "[ . ]" 1
141 1 1 C H2' 1 1 C H6 2.400 . 2.900 2.157 1.997 2.239 . 0 0 "[ . ]" 1
142 1 1 C H3' 1 2 U H6 4.700 . 5.600 2.711 2.461 3.307 . 0 0 "[ . ]" 1
143 1 7 U H3' 1 8 C H5 3.000 . 3.600 3.457 2.861 3.691 0.091 6 0 "[ . ]" 1
144 1 4 U H1' 1 4 U H2' 3.600 . 4.300 3.064 3.053 3.075 . 0 0 "[ . ]" 1
145 1 2 U H1' 1 2 U H2' 3.700 . 4.400 3.055 3.039 3.069 . 0 0 "[ . ]" 1
146 1 2 U H6 1 12 CH H5 3.400 . 4.100 4.129 4.065 4.192 0.092 4 0 "[ . ]" 1
147 1 1 C H6 1 2 U H5 2.800 . 3.400 3.436 3.360 3.470 0.070 4 0 "[ . ]" 1
148 1 5 G H3' 1 6 5MU H6 2.700 . 3.200 3.344 3.272 3.440 0.240 8 0 "[ . ]" 1
149 1 6 5MU H2' 1 6 5MU H6 2.200 . 2.600 1.737 1.700 1.841 0.100 2 0 "[ . ]" 1
150 1 5 G H2' 1 14 A H2 2.200 . 2.600 4.650 4.549 4.710 2.110 7 8 [-*****+*] 1
151 1 15 C H4' 1 15 C H6 3.300 . 4.000 4.038 4.008 4.074 0.074 6 0 "[ . ]" 1
152 1 7 U H4' 1 7 U H6 2.500 . 3.000 3.330 3.317 3.344 0.344 3 0 "[ . ]" 1
153 1 11 U H3' 1 12 CH H6 2.200 . 2.600 2.643 2.556 2.696 0.096 5 0 "[ . ]" 1
154 1 2 U H2' 1 2 U H6 2.200 . 2.600 1.993 1.935 2.045 . 0 0 "[ . ]" 1
155 1 3 G H3' 1 3 G H8 2.500 . 3.000 3.088 3.061 3.138 0.138 5 0 "[ . ]" 1
156 1 17 G H4' 1 17 G H8 3.200 . 3.800 4.005 3.854 4.056 0.256 1 0 "[ . ]" 1
157 1 8 C H5'' 1 8 C H6 3.300 . 4.000 1.857 1.775 1.939 0.025 6 0 "[ . ]" 1
158 1 4 U H3' 1 4 U H6 3.000 . 3.600 3.695 3.659 3.720 0.120 4 0 "[ . ]" 1
159 1 1 C H5 1 17 G H2' 6.400 . 7.700 9.517 9.432 9.642 1.942 2 8 [*+-*****] 1
160 1 8 C H1' 1 9 G H5'' 5.700 . 6.800 5.077 2.788 6.078 . 0 0 "[ . ]" 1
161 1 15 C H1' 1 15 C H4' 3.000 . 3.600 2.967 2.820 3.118 . 0 0 "[ . ]" 1
162 1 5 G H2' 1 6 5MU H1' 3.400 . 4.100 4.924 4.652 5.048 0.948 5 8 [**-*+***] 1
163 1 16 A H2' 1 17 G H1' 3.100 . 3.700 5.669 5.122 5.924 2.224 1 8 [+-******] 1
164 1 3 G H2' 1 4 U H1' 3.100 . 3.700 5.173 5.123 5.207 1.507 2 8 [*+*****-] 1
165 1 4 U H1' 1 4 U H3' 3.800 . 4.600 3.777 3.749 3.817 . 0 0 "[ . ]" 1
166 1 1 C H3' 1 2 U H5 2.800 . 3.400 3.543 3.517 3.663 0.263 2 0 "[ . ]" 1
167 1 15 C H1' 1 15 C H3' 3.500 . 4.200 3.864 3.832 3.906 . 0 0 "[ . ]" 1
168 1 10 A H2' 1 10 A H4' 3.000 . 3.600 3.746 3.673 3.779 0.179 3 0 "[ . ]" 1
169 1 7 U H4' 1 8 C H6 4.100 . 4.900 4.547 3.158 4.945 0.045 6 0 "[ . ]" 1
170 1 8 C H3' 1 8 C H5'' 2.700 . 3.200 2.762 2.599 2.863 . 0 0 "[ . ]" 1
171 1 8 C H2' 1 8 C H5' 3.200 . 3.800 2.613 2.518 2.769 . 0 0 "[ . ]" 1
172 1 8 C H3' 1 9 G H5'' 4.400 . 5.300 3.407 2.290 4.640 . 0 0 "[ . ]" 1
173 1 9 G H3' 1 10 A H8 2.700 . 3.200 3.192 3.114 3.240 0.040 2 0 "[ . ]" 1
174 1 13 C H4' 1 13 C H6 2.700 . 3.200 3.432 3.302 3.504 0.304 1 0 "[ . ]" 1
175 1 13 C H2' 1 13 C H6 3.000 . 3.600 2.582 2.158 4.003 0.403 7 0 "[ . ]" 1
176 1 14 A H2' 1 14 A H8 2.700 . 3.200 1.990 1.893 2.119 . 0 0 "[ . ]" 1
177 1 3 G H2' 1 3 G H8 2.700 . 3.200 2.203 2.142 2.238 . 0 0 "[ . ]" 1
178 1 3 G H2' 1 4 U H6 2.200 . 2.600 2.066 2.004 2.200 . 0 0 "[ . ]" 1
179 1 3 G H3' 1 4 U H6 2.300 . 2.800 2.919 2.903 2.940 0.140 6 0 "[ . ]" 1
180 1 4 U H2' 1 4 U H6 2.100 . 2.500 1.820 1.807 1.846 . 0 0 "[ . ]" 1
181 1 11 U H3' 1 11 U H6 3.400 . 4.100 4.100 4.060 4.138 0.038 8 0 "[ . ]" 1
182 1 10 A H1' 1 13 C H6 3.100 . 3.700 3.649 3.288 3.795 0.095 1 0 "[ . ]" 1
183 1 2 U H3 1 16 A H62 3.500 . 4.500 3.712 3.499 4.071 . 0 0 "[ . ]" 1
184 1 2 U H3 1 16 A H2 3.500 . 4.500 2.981 2.776 3.190 . 0 0 "[ . ]" 1
185 1 2 U H3 1 16 A H61 3.500 . 4.500 2.185 1.927 2.569 . 0 0 "[ . ]" 1
186 1 4 U H3 1 14 A H62 3.500 . 4.500 3.340 3.305 3.374 . 0 0 "[ . ]" 1
187 1 4 U H3 1 14 A H2 3.500 . 4.500 3.380 3.330 3.426 . 0 0 "[ . ]" 1
188 1 4 U H3 1 14 A H61 3.500 . 4.500 1.783 1.766 1.799 0.034 8 0 "[ . ]" 1
189 1 3 G H1 1 15 C H42 3.500 . 4.500 3.127 3.094 3.159 . 0 0 "[ . ]" 1
190 1 3 G H1 1 3 G H22 3.500 . 4.500 3.351 3.323 3.374 . 0 0 "[ . ]" 1
191 1 3 G H1 1 15 C H41 3.500 . 4.500 1.720 1.684 1.736 0.116 5 0 "[ . ]" 1
192 1 3 G H1 1 3 G H21 3.500 . 4.500 2.030 1.995 2.066 . 0 0 "[ . ]" 1
193 1 5 G H1 1 5 G H22 3.500 . 4.500 3.484 3.435 3.537 . 0 0 "[ . ]" 1
194 1 5 G H1 1 13 C H42 3.500 . 4.500 3.429 3.327 3.869 . 0 0 "[ . ]" 1
195 1 5 G H1 1 13 C H41 3.500 . 4.500 1.881 1.774 2.422 0.026 4 0 "[ . ]" 1
196 1 2 U H3 1 2 U H5 4.500 . 5.500 4.250 4.235 4.262 . 0 0 "[ . ]" 1
197 1 2 U H3 1 3 G H1' 4.500 . 5.500 5.555 5.519 5.585 0.085 8 0 "[ . ]" 1
198 1 2 U H3 1 3 G H8 4.500 . 5.500 5.029 4.812 5.238 . 0 0 "[ . ]" 1
199 1 1 C H41 1 2 U H3 4.500 . 5.500 5.221 4.914 5.492 . 0 0 "[ . ]" 1
200 1 4 U H1' 1 4 U H3 4.500 . 5.500 4.495 4.449 4.549 . 0 0 "[ . ]" 1
201 1 4 U H3 1 5 G H1' 4.500 . 5.500 3.838 3.568 4.140 . 0 0 "[ . ]" 1
202 1 4 U H3 1 15 C H42 4.500 . 5.500 5.527 5.457 5.609 0.109 5 0 "[ . ]" 1
203 1 4 U H3 1 15 C H41 4.500 . 5.500 4.107 4.039 4.223 . 0 0 "[ . ]" 1
204 1 1 C H42 1 17 G H1 4.500 . 5.500 3.248 3.165 3.334 . 0 0 "[ . ]" 1
205 1 1 C H41 1 17 G H1 4.500 . 5.500 2.234 1.970 2.407 . 0 0 "[ . ]" 1
206 1 3 G H1 1 15 C H5 4.500 . 5.500 4.270 4.249 4.283 . 0 0 "[ . ]" 1
207 1 3 G H1 1 16 A H1' 4.500 . 5.500 5.431 5.278 5.524 0.024 7 0 "[ . ]" 1
208 1 3 G H1 1 14 A H62 4.500 . 5.500 3.450 3.383 3.482 . 0 0 "[ . ]" 1
209 1 3 G H1 1 14 A H61 4.500 . 5.500 3.163 3.055 3.239 . 0 0 "[ . ]" 1
210 1 5 G H1 1 13 C H5 4.500 . 5.500 4.671 4.587 4.831 . 0 0 "[ . ]" 1
211 1 5 G H1 1 14 A H62 4.500 . 5.500 3.903 3.698 4.256 . 0 0 "[ . ]" 1
212 1 5 G H1 1 10 A H8 4.500 . 5.500 5.294 4.696 5.538 0.038 2 0 "[ . ]" 1
213 1 5 G H1 1 14 A H61 4.500 . 5.500 4.063 3.664 4.275 . 0 0 "[ . ]" 1
214 1 2 U H1' 1 2 U H3 5.500 . 6.500 4.541 4.494 4.588 . 0 0 "[ . ]" 1
215 1 2 U H3 1 3 G H21 5.500 . 6.500 5.132 4.984 5.411 . 0 0 "[ . ]" 1
216 1 2 U H3 1 2 U H6 5.500 . 6.500 4.778 4.765 4.791 . 0 0 "[ . ]" 1
217 1 4 U H3 1 15 C H1' 5.500 . 6.500 6.554 6.532 6.579 0.079 5 0 "[ . ]" 1
218 1 4 U H3 1 5 G H8 5.500 . 6.500 4.550 4.253 5.124 . 0 0 "[ . ]" 1
219 1 4 U H3 1 4 U H6 5.500 . 6.500 4.823 4.815 4.841 . 0 0 "[ . ]" 1
220 1 2 U H5 1 3 G H1 5.500 . 6.500 6.585 6.569 6.600 0.100 2 0 "[ . ]" 1
221 1 3 G H1 1 16 A H2 5.500 . 6.500 4.230 4.116 4.388 . 0 0 "[ . ]" 1
222 1 5 G H1' 1 14 A H1' 5.500 . 6.500 6.544 6.367 6.602 0.102 8 0 "[ . ]" 1
223 1 3 G H1 1 4 U H3 3.500 . 4.500 3.331 3.224 3.412 . 0 0 "[ . ]" 1
224 1 4 U H3 1 5 G H1 5.500 . 6.500 4.734 4.378 5.175 . 0 0 "[ . ]" 1
225 1 2 U H3 1 3 G H1 5.500 . 6.500 3.830 3.681 4.120 . 0 0 "[ . ]" 1
226 1 10 A H1' 1 13 C H42 5.500 . 6.500 4.010 3.413 4.748 . 0 0 "[ . ]" 1
227 1 12 CH H1' 1 13 C H42 5.500 . 6.500 4.755 4.565 5.001 . 0 0 "[ . ]" 1
228 1 15 C H42 1 16 A H1' 5.500 . 6.500 6.708 6.698 6.723 0.223 1 0 "[ . ]" 1
229 1 3 G H22 1 14 A H62 5.500 . 6.500 6.496 6.410 6.543 0.043 7 0 "[ . ]" 1
230 1 3 G H21 1 15 C H5 3.500 . 4.500 4.728 4.703 4.751 0.251 5 0 "[ . ]" 1
231 1 2 U H5 1 12 CH H41 4.500 . 5.500 3.345 2.964 3.635 . 0 0 "[ . ]" 1
232 1 2 U H5 1 12 CH H42 4.500 . 5.500 2.880 2.230 3.712 . 0 0 "[ . ]" 1
233 1 2 U H6 1 12 CH H41 5.500 . 6.500 3.967 3.187 4.552 . 0 0 "[ . ]" 1
234 1 2 U H6 1 12 CH H42 5.500 . 6.500 3.022 2.570 3.255 . 0 0 "[ . ]" 1
235 1 12 CH H41 1 12 CH H5 4.500 . 5.500 3.715 3.689 3.743 . 0 0 "[ . ]" 1
236 1 12 CH H42 1 12 CH H5 4.500 . 5.500 2.482 2.452 2.514 . 0 0 "[ . ]" 1
237 1 3 G H8 1 12 CH H41 4.500 . 5.500 4.317 3.572 5.242 . 0 0 "[ . ]" 1
238 1 3 G H8 1 12 CH H42 4.500 . 5.500 4.531 4.185 5.046 . 0 0 "[ . ]" 1
239 1 2 U H3 1 12 CH H41 5.500 . 6.500 4.561 4.183 5.101 . 0 0 "[ . ]" 1
240 1 2 U H3 1 12 CH H42 5.500 . 6.500 5.454 4.688 6.334 . 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 26
_Distance_constraint_stats_list.Viol_count 70
_Distance_constraint_stats_list.Viol_total 26.210
_Distance_constraint_stats_list.Viol_max 0.114
_Distance_constraint_stats_list.Viol_rms 0.0268
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0158
_Distance_constraint_stats_list.Viol_average_violations_only 0.0468
_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 C 0.856 0.071 6 0 "[ . ]"
1 2 U 0.100 0.053 7 0 "[ . ]"
1 3 G 1.317 0.114 8 0 "[ . ]"
1 4 U 0.450 0.087 7 0 "[ . ]"
1 5 G 0.554 0.090 3 0 "[ . ]"
1 13 C 0.554 0.090 3 0 "[ . ]"
1 14 A 0.450 0.087 7 0 "[ . ]"
1 15 C 1.317 0.114 8 0 "[ . ]"
1 16 A 0.100 0.053 7 0 "[ . ]"
1 17 G 0.856 0.071 6 0 "[ . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 C O2 1 17 G H21 1.870 . 1.870 1.900 1.845 1.930 0.060 4 0 "[ . ]" 2
2 1 1 C O2 1 17 G N2 2.850 . 2.950 2.699 2.643 2.783 . 0 0 "[ . ]" 2
3 1 1 C N3 1 17 G H1 1.850 . 1.850 1.899 1.879 1.921 0.071 6 0 "[ . ]" 2
4 1 1 C N3 1 17 G N1 2.880 . 2.980 2.644 2.622 2.672 . 0 0 "[ . ]" 2
5 1 1 C H41 1 17 G O6 1.880 . 1.880 1.902 1.864 1.926 0.046 4 0 "[ . ]" 2
6 1 1 C N4 1 17 G O6 2.910 . 3.010 2.489 2.419 2.586 . 0 0 "[ . ]" 2
7 1 2 U H3 1 16 A N1 1.850 . 1.850 1.812 1.666 1.903 0.053 7 0 "[ . ]" 2
8 1 2 U N3 1 16 A N1 2.880 . 2.980 2.815 2.673 2.912 . 0 0 "[ . ]" 2
9 1 2 U O4 1 16 A H61 1.880 . 1.880 1.619 1.564 1.686 . 0 0 "[ . ]" 2
10 1 2 U O4 1 16 A N6 2.910 . 3.010 2.600 2.536 2.677 . 0 0 "[ . ]" 2
11 1 3 G H21 1 15 C O2 1.870 . 1.870 1.973 1.964 1.984 0.114 8 0 "[ . ]" 2
12 1 3 G N2 1 15 C O2 2.850 . 2.950 2.587 2.570 2.618 . 0 0 "[ . ]" 2
13 1 3 G H1 1 15 C N3 1.850 . 1.850 1.872 1.863 1.882 0.032 2 0 "[ . ]" 2
14 1 3 G N1 1 15 C N3 2.880 . 2.980 2.739 2.719 2.748 . 0 0 "[ . ]" 2
15 1 3 G O6 1 15 C H41 1.880 . 1.880 1.919 1.871 1.938 0.058 3 0 "[ . ]" 2
16 1 3 G O6 1 15 C N4 2.910 . 3.010 2.926 2.868 2.948 . 0 0 "[ . ]" 2
17 1 4 U H3 1 14 A N1 1.850 . 1.850 1.906 1.877 1.937 0.087 7 0 "[ . ]" 2
18 1 4 U N3 1 14 A N1 2.880 . 2.980 2.897 2.871 2.934 . 0 0 "[ . ]" 2
19 1 4 U O4 1 14 A H61 1.880 . 1.880 1.740 1.673 1.820 . 0 0 "[ . ]" 2
20 1 4 U O4 1 14 A N6 2.910 . 3.010 2.680 2.604 2.774 . 0 0 "[ . ]" 2
21 1 5 G H21 1 13 C O2 1.870 . 1.870 1.709 1.502 1.830 . 0 0 "[ . ]" 2
22 1 5 G N2 1 13 C O2 2.850 . 2.950 2.605 2.472 2.722 . 0 0 "[ . ]" 2
23 1 5 G H1 1 13 C N3 1.850 . 1.850 1.857 1.702 1.899 0.049 5 0 "[ . ]" 2
24 1 5 G N1 1 13 C N3 2.880 . 2.980 2.800 2.706 2.857 . 0 0 "[ . ]" 2
25 1 5 G O6 1 13 C H41 1.880 . 1.880 1.923 1.873 1.970 0.090 3 0 "[ . ]" 2
26 1 5 G O6 1 13 C N4 2.910 . 3.010 2.913 2.844 2.974 . 0 0 "[ . ]" 2
stop_
save_
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