NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
384776 |
1kpz   |
5278 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1kpz
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 290
_Distance_constraint_stats_list.Viol_count 92
_Distance_constraint_stats_list.Viol_total 15.245
_Distance_constraint_stats_list.Viol_max 2.230
_Distance_constraint_stats_list.Viol_rms 0.1692
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0526
_Distance_constraint_stats_list.Viol_average_violations_only 0.1657
_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 5 U 0.317 0.317 1 0 "[ ]"
1 6 C 0.714 0.286 1 0 "[ ]"
1 7 C 1.085 0.391 1 0 "[ ]"
1 8 G 0.129 0.098 1 0 "[ ]"
1 9 G 0.954 0.180 1 0 "[ ]"
1 10 U 0.786 0.174 1 0 "[ ]"
1 11 CH 0.684 0.198 1 0 "[ ]"
1 12 G 0.640 0.198 1 0 "[ ]"
1 13 A 0.340 0.141 1 0 "[ ]"
1 14 C 0.169 0.070 1 0 "[ ]"
1 16 C 3.920 2.230 1 1 [+]
1 17 C 2.630 1.087 1 1 [+]
1 18 G 2.765 1.087 1 1 [+]
1 19 G 1.876 0.462 1 0 "[ ]"
1 20 A 2.111 0.462 1 0 "[ ]"
1 21 G 0.493 0.318 1 0 "[ ]"
1 22 A 1.578 0.391 1 0 "[ ]"
1 23 A 1.077 0.367 1 0 "[ ]"
1 24 A 0.246 0.079 1 0 "[ ]"
1 25 C 0.434 0.293 1 0 "[ ]"
1 26 A 0.124 0.078 1 0 "[ ]"
1 27 A 0.288 0.119 1 0 "[ ]"
1 28 A 3.847 2.230 1 1 [+]
1 29 G 1.043 0.200 1 0 "[ ]"
1 30 U 0.634 0.200 1 0 "[ ]"
1 31 C 0.000 0.000 . 0 "[ ]"
1 32 A 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 5 U H1' 1 5 U H6 3.500 2.500 4.500 3.432 3.432 3.432 . 0 0 "[ ]" 1
2 1 5 U H2' 1 5 U H6 3.500 2.500 4.500 4.238 4.238 4.238 . 0 0 "[ ]" 1
3 1 5 U H3' 1 5 U H6 3.500 2.500 4.500 3.206 3.206 3.206 . 0 0 "[ ]" 1
4 1 6 C H6 1 7 C H5 4.000 3.000 5.000 3.681 3.681 3.681 . 0 0 "[ ]" 1
5 1 6 C H1' 1 7 C H5 5.000 4.000 6.000 5.774 5.774 5.774 . 0 0 "[ ]" 1
6 1 5 U H1' 1 6 C H6 4.000 3.000 5.000 4.608 4.608 4.608 . 0 0 "[ ]" 1
7 1 5 U H2' 1 6 C H6 3.000 . 4.000 2.915 2.915 2.915 . 0 0 "[ ]" 1
8 1 5 U H3' 1 6 C H6 3.500 2.500 4.500 2.548 2.548 2.548 . 0 0 "[ ]" 1
9 1 6 C H1' 1 6 C H6 3.500 2.500 4.500 3.430 3.430 3.430 . 0 0 "[ ]" 1
10 1 6 C H2' 1 6 C H6 3.500 2.500 4.500 4.269 4.269 4.269 . 0 0 "[ ]" 1
11 1 6 C H3' 1 6 C H6 3.500 2.500 4.500 3.246 3.246 3.246 . 0 0 "[ ]" 1
12 1 5 U H6 1 7 C H5 4.500 3.500 5.500 5.817 5.817 5.817 0.317 1 0 "[ ]" 1
13 1 6 C H1' 1 7 C H6 4.000 3.000 5.000 4.278 4.278 4.278 . 0 0 "[ ]" 1
14 1 6 C H2' 1 7 C H6 3.000 . 4.000 3.321 3.321 3.321 . 0 0 "[ ]" 1
15 1 6 C H3' 1 7 C H6 3.500 2.500 4.500 2.319 2.319 2.319 0.181 1 0 "[ ]" 1
16 1 7 C H1' 1 7 C H6 4.000 3.000 5.000 3.334 3.334 3.334 . 0 0 "[ ]" 1
17 1 7 C H2' 1 7 C H6 3.500 2.500 4.500 4.454 4.454 4.454 . 0 0 "[ ]" 1
18 1 7 C H3' 1 7 C H6 3.500 2.500 4.500 3.712 3.712 3.712 . 0 0 "[ ]" 1
19 1 7 C H6 1 8 G H8 4.500 3.500 5.500 4.401 4.401 4.401 . 0 0 "[ ]" 1
20 1 7 C H1' 1 8 G H8 4.000 3.000 5.000 4.863 4.863 4.863 . 0 0 "[ ]" 1
21 1 7 C H2' 1 8 G H8 3.000 . 4.000 3.040 3.040 3.040 . 0 0 "[ ]" 1
22 1 7 C H3' 1 8 G H8 3.500 2.500 4.500 2.947 2.947 2.947 . 0 0 "[ ]" 1
23 1 7 C H5 1 8 G H8 4.500 3.500 5.500 5.026 5.026 5.026 . 0 0 "[ ]" 1
24 1 8 G H1' 1 8 G H8 4.000 3.000 5.000 3.598 3.598 3.598 . 0 0 "[ ]" 1
25 1 8 G H2' 1 8 G H8 3.500 2.500 4.500 4.437 4.437 4.437 . 0 0 "[ ]" 1
26 1 8 G H3' 1 8 G H8 3.500 2.500 4.500 3.201 3.201 3.201 . 0 0 "[ ]" 1
27 1 8 G H1' 1 9 G H8 4.000 3.000 5.000 5.098 5.098 5.098 0.098 1 0 "[ ]" 1
28 1 8 G H8 1 9 G H8 4.500 3.500 5.500 5.291 5.291 5.291 . 0 0 "[ ]" 1
29 1 8 G H2' 1 9 G H8 3.000 . 4.000 3.167 3.167 3.167 . 0 0 "[ ]" 1
30 1 8 G H3' 1 9 G H8 3.500 2.500 4.500 2.493 2.493 2.493 0.007 1 0 "[ ]" 1
31 1 9 G H1' 1 9 G H8 4.000 3.000 5.000 3.663 3.663 3.663 . 0 0 "[ ]" 1
32 1 9 G H2' 1 9 G H8 3.000 . 4.000 4.038 4.038 4.038 0.038 1 0 "[ ]" 1
33 1 9 G H3' 1 9 G H8 3.500 2.500 4.500 2.878 2.878 2.878 . 0 0 "[ ]" 1
34 1 9 G H5' 1 9 G H8 3.500 2.500 4.500 3.252 3.252 3.252 . 0 0 "[ ]" 1
35 1 9 G H5'' 1 9 G H8 3.500 2.500 4.500 4.450 4.450 4.450 . 0 0 "[ ]" 1
36 1 9 G H1' 1 10 U H6 4.500 3.500 5.500 5.674 5.674 5.674 0.174 1 0 "[ ]" 1
37 1 9 G H2' 1 10 U H6 3.000 . 4.000 3.629 3.629 3.629 . 0 0 "[ ]" 1
38 1 10 U H1' 1 10 U H6 4.000 3.000 5.000 3.711 3.711 3.711 . 0 0 "[ ]" 1
39 1 10 U H2' 1 10 U H6 3.500 2.500 4.500 2.753 2.753 2.753 . 0 0 "[ ]" 1
40 1 10 U H3' 1 10 U H6 3.500 2.500 4.500 2.921 2.921 2.921 . 0 0 "[ ]" 1
41 1 10 U H6 1 11 CH H1' 4.500 3.500 5.500 5.534 5.534 5.534 0.034 1 0 "[ ]" 1
42 1 10 U H6 1 11 CH H5 5.000 4.000 6.000 6.091 6.091 6.091 0.091 1 0 "[ ]" 1
43 1 10 U H5 1 11 CH H1' 4.500 4.000 5.500 4.758 4.758 4.758 . 0 0 "[ ]" 1
44 1 10 U H1' 1 11 CH H6 4.000 3.000 5.000 5.132 5.132 5.132 0.132 1 0 "[ ]" 1
45 1 10 U H5 1 11 CH H6 5.000 4.000 6.000 5.170 5.170 5.170 . 0 0 "[ ]" 1
46 1 10 U H2' 1 11 CH H6 3.000 . 4.000 2.773 2.773 2.773 . 0 0 "[ ]" 1
47 1 11 CH H1' 1 11 CH H6 4.000 3.000 5.000 3.339 3.339 3.339 . 0 0 "[ ]" 1
48 1 10 U H3' 1 11 CH H6 3.500 2.500 4.500 4.327 4.327 4.327 . 0 0 "[ ]" 1
49 1 11 CH H3' 1 11 CH H6 3.500 2.500 4.500 3.489 3.489 3.489 . 0 0 "[ ]" 1
50 1 10 U H6 1 11 CH H6 5.000 4.000 6.000 4.900 4.900 4.900 . 0 0 "[ ]" 1
51 1 11 CH H1' 1 12 G H8 4.500 3.500 5.500 3.302 3.302 3.302 0.198 1 0 "[ ]" 1
52 1 12 G H1' 1 12 G H8 4.500 3.500 5.500 3.478 3.478 3.478 0.022 1 0 "[ ]" 1
53 1 12 G H2' 1 12 G H8 3.500 2.500 4.500 4.452 4.452 4.452 . 0 0 "[ ]" 1
54 1 13 A H1' 1 13 A H2 5.000 4.000 6.000 4.787 4.787 4.787 . 0 0 "[ ]" 1
55 1 13 A H2 1 14 C H1' 3.500 2.500 4.500 3.399 3.399 3.399 . 0 0 "[ ]" 1
56 1 13 A H2 1 31 C H1' 3.500 2.500 4.500 2.798 2.798 2.798 . 0 0 "[ ]" 1
57 1 13 A H2 1 14 C H2' 4.500 3.500 5.500 5.534 5.534 5.534 0.034 1 0 "[ ]" 1
58 1 13 A H2 1 30 U H1' 5.000 4.000 6.000 6.141 6.141 6.141 0.141 1 0 "[ ]" 1
59 1 12 G H1' 1 13 A H8 4.000 3.000 5.000 4.365 4.365 4.365 . 0 0 "[ ]" 1
60 1 12 G H2' 1 13 A H8 3.000 . 4.000 2.200 2.200 2.200 . 0 0 "[ ]" 1
61 1 13 A H1' 1 13 A H8 4.000 3.000 5.000 3.493 3.493 3.493 . 0 0 "[ ]" 1
62 1 13 A H2' 1 13 A H8 3.500 2.500 4.500 4.341 4.341 4.341 . 0 0 "[ ]" 1
63 1 14 C H1' 1 16 C H5 4.500 3.500 5.500 5.536 5.536 5.536 0.036 1 0 "[ ]" 1
64 1 14 C H1' 1 14 C H5 4.500 3.500 5.500 5.390 5.390 5.390 . 0 0 "[ ]" 1
65 1 14 C H1' 1 14 C H6 4.000 3.000 5.000 3.659 3.659 3.659 . 0 0 "[ ]" 1
66 1 13 A H1' 1 14 C H6 4.000 3.000 5.000 5.025 5.025 5.025 0.025 1 0 "[ ]" 1
67 1 14 C H2' 1 14 C H6 3.500 2.500 4.500 3.196 3.196 3.196 . 0 0 "[ ]" 1
68 1 14 C H3' 1 14 C H6 3.500 2.500 4.500 3.649 3.649 3.649 . 0 0 "[ ]" 1
69 1 13 A H2' 1 14 C H6 3.000 . 4.000 3.121 3.121 3.121 . 0 0 "[ ]" 1
70 1 14 C H2' 1 16 C H5 3.500 2.500 3.500 2.689 2.689 2.689 . 0 0 "[ ]" 1
71 1 16 C H1' 1 16 C H5 4.000 3.000 5.000 5.040 5.040 5.040 0.040 1 0 "[ ]" 1
72 1 14 C H2' 1 16 C H6 3.500 2.500 4.500 2.495 2.495 2.495 0.005 1 0 "[ ]" 1
73 1 14 C H1' 1 16 C H6 5.000 4.000 6.000 4.605 4.605 4.605 . 0 0 "[ ]" 1
74 1 16 C H1' 1 16 C H6 4.000 3.000 5.000 3.416 3.416 3.416 . 0 0 "[ ]" 1
75 1 16 C H2' 1 16 C H6 3.500 2.500 4.500 4.355 4.355 4.355 . 0 0 "[ ]" 1
76 1 16 C H3' 1 16 C H6 3.500 2.500 4.500 3.029 3.029 3.029 . 0 0 "[ ]" 1
77 1 16 C H1' 1 17 C H6 4.000 3.000 5.000 5.110 5.110 5.110 0.110 1 0 "[ ]" 1
78 1 16 C H2' 1 17 C H6 3.000 . 4.000 3.150 3.150 3.150 . 0 0 "[ ]" 1
79 1 16 C H3' 1 17 C H6 3.500 2.500 4.500 2.437 2.437 2.437 0.063 1 0 "[ ]" 1
80 1 17 C H1' 1 17 C H6 3.500 2.500 4.500 3.431 3.431 3.431 . 0 0 "[ ]" 1
81 1 17 C H3' 1 17 C H6 3.500 2.500 4.500 3.267 3.267 3.267 . 0 0 "[ ]" 1
82 1 17 C H2' 1 17 C H6 4.500 3.500 5.500 4.221 4.221 4.221 . 0 0 "[ ]" 1
83 1 17 C H6 1 18 G H8 5.000 4.000 6.000 4.272 4.272 4.272 . 0 0 "[ ]" 1
84 1 17 C H1' 1 18 G H8 4.000 3.000 5.000 4.460 4.460 4.460 . 0 0 "[ ]" 1
85 1 17 C H2' 1 18 G H8 . 3.850 4.000 2.763 2.763 2.763 1.087 1 1 [+] 1
86 1 17 C H3' 1 18 G H8 3.500 2.500 4.500 2.558 2.558 2.558 . 0 0 "[ ]" 1
87 1 18 G H1' 1 18 G H8 4.000 3.000 5.000 3.567 3.567 3.567 . 0 0 "[ ]" 1
88 1 18 G H2' 1 18 G H8 3.500 2.500 4.500 4.411 4.411 4.411 . 0 0 "[ ]" 1
89 1 18 G H3' 1 18 G H8 3.500 2.500 4.500 3.364 3.364 3.364 . 0 0 "[ ]" 1
90 1 18 G H8 1 19 G H8 5.000 4.000 6.000 4.458 4.458 4.458 . 0 0 "[ ]" 1
91 1 18 G H1' 1 19 G H8 4.000 3.000 5.000 5.255 5.255 5.255 0.255 1 0 "[ ]" 1
92 1 18 G H2' 1 19 G H8 3.000 . 4.000 3.805 3.805 3.805 . 0 0 "[ ]" 1
93 1 18 G H3' 1 19 G H8 3.500 2.500 4.500 2.432 2.432 2.432 0.068 1 0 "[ ]" 1
94 1 19 G H1' 1 19 G H8 4.000 3.000 5.000 3.557 3.557 3.557 . 0 0 "[ ]" 1
95 1 19 G H2' 1 19 G H8 3.500 2.500 4.500 4.231 4.231 4.231 . 0 0 "[ ]" 1
96 1 19 G H3' 1 19 G H8 3.500 2.500 4.500 3.428 3.428 3.428 . 0 0 "[ ]" 1
97 1 19 G H8 1 20 A H5'' 4.000 . 6.000 5.358 5.358 5.358 . 0 0 "[ ]" 1
98 1 19 G H8 1 20 A H5' 4.000 . 6.000 6.062 6.062 6.062 0.062 1 0 "[ ]" 1
99 1 20 A H1' 1 24 A H1' 4.000 3.000 5.000 5.067 5.067 5.067 0.067 1 0 "[ ]" 1
100 1 6 C H1' 1 20 A H2 3.500 2.500 4.500 3.865 3.865 3.865 . 0 0 "[ ]" 1
101 1 7 C H1' 1 20 A H2 5.000 4.000 6.000 4.995 4.995 4.995 . 0 0 "[ ]" 1
102 1 7 C H6 1 20 A H2 5.000 4.000 6.000 6.044 6.044 6.044 0.044 1 0 "[ ]" 1
103 1 20 A H2 1 21 G H1' 3.000 . 5.000 2.912 2.912 2.912 . 0 0 "[ ]" 1
104 1 20 A H2 1 22 A H1' 5.000 4.000 6.000 6.248 6.248 6.248 0.248 1 0 "[ ]" 1
105 1 20 A H2 1 22 A H2 5.000 4.000 6.000 3.630 3.630 3.630 0.370 1 0 "[ ]" 1
106 1 20 A H2 1 21 G H2' 3.000 . 4.000 4.318 4.318 4.318 0.318 1 0 "[ ]" 1
107 1 19 G H1' 1 20 A H8 4.000 3.000 5.000 4.403 4.403 4.403 . 0 0 "[ ]" 1
108 1 19 G H2' 1 20 A H8 3.000 . 4.000 2.634 2.634 2.634 . 0 0 "[ ]" 1
109 1 19 G H3' 1 20 A H8 3.500 2.500 4.500 2.381 2.381 2.381 0.119 1 0 "[ ]" 1
110 1 20 A H1' 1 20 A H8 4.000 3.000 5.000 3.436 3.436 3.436 . 0 0 "[ ]" 1
111 1 20 A H2' 1 20 A H8 3.000 . 4.000 4.173 4.173 4.173 0.173 1 0 "[ ]" 1
112 1 19 G H5' 1 20 A H8 4.000 3.000 5.000 4.264 4.264 4.264 . 0 0 "[ ]" 1
113 1 19 G H5'' 1 20 A H8 4.000 3.000 5.000 4.741 4.741 4.741 . 0 0 "[ ]" 1
114 1 20 A H8 1 21 G H8 5.000 4.000 6.000 5.152 5.152 5.152 . 0 0 "[ ]" 1
115 1 20 A H8 1 23 A H2 3.000 . 4.000 4.248 4.248 4.248 0.248 1 0 "[ ]" 1
116 1 21 G H1' 1 21 G H8 4.000 3.000 5.000 3.176 3.176 3.176 . 0 0 "[ ]" 1
117 1 6 C H1' 1 23 A H1' 5.000 4.000 6.000 6.184 6.184 6.184 0.184 1 0 "[ ]" 1
118 1 21 G H1' 1 22 A H1' 3.000 . 4.000 4.014 4.014 4.014 0.014 1 0 "[ ]" 1
119 1 21 G H4' 1 22 A H1' 3.500 2.500 4.500 4.539 4.539 4.539 0.039 1 0 "[ ]" 1
120 1 6 C H1' 1 22 A H2 3.000 . 4.000 4.286 4.286 4.286 0.286 1 0 "[ ]" 1
121 1 6 C H2' 1 22 A H2 3.000 . 4.000 3.951 3.951 3.951 . 0 0 "[ ]" 1
122 1 7 C H1' 1 22 A H8 5.000 4.000 6.000 6.391 6.391 6.391 0.391 1 0 "[ ]" 1
123 1 21 G H2' 1 22 A H8 3.500 2.500 4.500 4.044 4.044 4.044 . 0 0 "[ ]" 1
124 1 22 A H1' 1 22 A H8 3.000 3.000 4.000 3.881 3.881 3.881 . 0 0 "[ ]" 1
125 1 22 A H2' 1 22 A H8 3.000 . 4.000 2.563 2.563 2.563 . 0 0 "[ ]" 1
126 1 22 A H3' 1 22 A H8 3.000 . 4.000 4.109 4.109 4.109 0.109 1 0 "[ ]" 1
127 1 7 C H1' 1 22 A H1' 5.000 4.000 6.000 5.462 5.462 5.462 . 0 0 "[ ]" 1
128 1 21 G H2' 1 22 A H1' 3.000 . 4.000 4.123 4.123 4.123 0.123 1 0 "[ ]" 1
129 1 19 G H1' 1 23 A H2 3.500 2.500 4.500 2.379 2.379 2.379 0.121 1 0 "[ ]" 1
130 1 19 G H5'' 1 23 A H2 3.500 . 5.500 5.867 5.867 5.867 0.367 1 0 "[ ]" 1
131 1 20 A H1' 1 23 A H2 3.000 . 4.000 3.276 3.276 3.276 . 0 0 "[ ]" 1
132 1 23 A H1' 1 23 A H2 5.000 4.000 6.000 4.597 4.597 4.597 . 0 0 "[ ]" 1
133 1 23 A H2 1 24 A H1' 3.500 2.500 4.500 3.651 3.651 3.651 . 0 0 "[ ]" 1
134 1 23 A H2 1 24 A H2 4.000 3.000 5.000 4.667 4.667 4.667 . 0 0 "[ ]" 1
135 1 22 A H2 1 23 A H8 4.000 3.000 5.000 4.397 4.397 4.397 . 0 0 "[ ]" 1
136 1 24 A H8 1 25 C H1' 5.000 4.000 6.000 6.029 6.029 6.029 0.029 1 0 "[ ]" 1
137 1 24 A H1' 1 24 A H2 5.000 4.000 6.000 4.695 4.695 4.695 . 0 0 "[ ]" 1
138 1 24 A H2 1 24 A H2' 3.500 2.500 4.500 4.539 4.539 4.539 0.039 1 0 "[ ]" 1
139 1 24 A H2 1 25 C H1' 3.000 . 4.000 3.017 3.017 3.017 . 0 0 "[ ]" 1
140 1 24 A H2 1 25 C H6 5.000 4.000 6.000 3.967 3.967 3.967 0.033 1 0 "[ ]" 1
141 1 24 A H8 1 25 C H6 5.000 4.000 6.000 4.430 4.430 4.430 . 0 0 "[ ]" 1
142 1 24 A H1' 1 25 C H6 4.000 3.000 5.000 5.079 5.079 5.079 0.079 1 0 "[ ]" 1
143 1 24 A H2' 1 25 C H6 3.000 . 4.000 3.266 3.266 3.266 . 0 0 "[ ]" 1
144 1 25 C H1' 1 25 C H6 4.000 3.000 5.000 2.707 2.707 2.707 0.293 1 0 "[ ]" 1
145 1 25 C H2' 1 25 C H6 3.500 2.500 4.500 3.940 3.940 3.940 . 0 0 "[ ]" 1
146 1 25 C H6 1 26 A H8 4.000 3.000 5.000 3.850 3.850 3.850 . 0 0 "[ ]" 1
147 1 25 C H5 1 26 A H8 4.000 3.000 5.000 4.062 4.062 4.062 . 0 0 "[ ]" 1
148 1 18 G H5'' 1 26 A H2 3.000 . 4.000 4.078 4.078 4.078 0.078 1 0 "[ ]" 1
149 1 26 A H1' 1 26 A H2 5.000 4.000 6.000 4.342 4.342 4.342 . 0 0 "[ ]" 1
150 1 26 A H2 1 27 A H1' 3.000 . 4.000 4.027 4.027 4.027 0.027 1 0 "[ ]" 1
151 1 18 G H4' 1 26 A H2 3.500 2.500 4.500 3.439 3.439 3.439 . 0 0 "[ ]" 1
152 1 25 C H2' 1 26 A H8 3.000 . 4.000 3.606 3.606 3.606 . 0 0 "[ ]" 1
153 1 26 A H1' 1 26 A H8 4.000 3.000 5.000 3.945 3.945 3.945 . 0 0 "[ ]" 1
154 1 25 C H1' 1 26 A H8 4.000 3.000 5.000 4.679 4.679 4.679 . 0 0 "[ ]" 1
155 1 17 C H1' 1 27 A H2 2.000 . 3.000 2.339 2.339 2.339 . 0 0 "[ ]" 1
156 1 17 C H2' 1 27 A H2 . 4.000 4.500 4.017 4.017 4.017 . 0 0 "[ ]" 1
157 1 17 C H4' 1 27 A H2 3.500 2.500 4.500 3.623 3.623 3.623 . 0 0 "[ ]" 1
158 1 26 A H2 1 27 A H2 5.000 4.000 6.000 4.942 4.942 4.942 . 0 0 "[ ]" 1
159 1 27 A H1' 1 27 A H2 5.000 4.000 6.000 4.569 4.569 4.569 . 0 0 "[ ]" 1
160 1 10 U H1' 1 27 A H8 3.000 . 4.000 4.055 4.055 4.055 0.055 1 0 "[ ]" 1
161 1 26 A H2 1 27 A H8 5.000 4.000 6.000 6.020 6.020 6.020 0.020 1 0 "[ ]" 1
162 1 27 A H1' 1 27 A H8 4.000 3.000 5.000 3.872 3.872 3.872 . 0 0 "[ ]" 1
163 1 27 A H1' 1 28 A H1' 4.000 3.000 5.000 4.697 4.697 4.697 . 0 0 "[ ]" 1
164 1 28 A H1' 1 28 A H2' 4.000 3.000 5.000 2.804 2.804 2.804 0.196 1 0 "[ ]" 1
165 1 28 A H1' 1 29 G H1' 4.000 3.000 5.000 4.420 4.420 4.420 . 0 0 "[ ]" 1
166 1 28 A H1' 1 29 G H5'' 3.500 2.500 4.500 4.654 4.654 4.654 0.154 1 0 "[ ]" 1
167 1 16 C H1' 1 28 A H2 4.000 3.000 5.000 4.894 4.894 4.894 . 0 0 "[ ]" 1
168 1 17 C H1' 1 28 A H2 5.000 4.000 6.000 5.092 5.092 5.092 . 0 0 "[ ]" 1
169 1 27 A H2 1 28 A H2 5.000 4.000 6.000 4.214 4.214 4.214 . 0 0 "[ ]" 1
170 1 28 A H1' 1 28 A H2 5.000 4.000 6.000 4.622 4.622 4.622 . 0 0 "[ ]" 1
171 1 28 A H2 1 28 A H2' 3.000 . 4.000 4.204 4.204 4.204 0.204 1 0 "[ ]" 1
172 1 28 A H2 1 29 G H1' 3.000 . 4.000 2.202 2.202 2.202 . 0 0 "[ ]" 1
173 1 28 A H2 1 29 G H8 4.000 3.000 5.000 4.920 4.920 4.920 . 0 0 "[ ]" 1
174 1 28 A H1' 1 28 A H8 4.000 3.000 5.000 3.721 3.721 3.721 . 0 0 "[ ]" 1
175 1 28 A H2' 1 28 A H8 3.500 2.500 4.500 3.832 3.832 3.832 . 0 0 "[ ]" 1
176 1 28 A H8 1 29 G H8 5.000 4.000 6.000 4.730 4.730 4.730 . 0 0 "[ ]" 1
177 1 28 A H1' 1 29 G H8 4.000 3.000 5.000 5.037 5.037 5.037 0.037 1 0 "[ ]" 1
178 1 28 A H2' 1 29 G H8 3.000 . 4.000 2.310 2.310 2.310 . 0 0 "[ ]" 1
179 1 29 G H1' 1 29 G H8 4.000 3.000 5.000 3.611 3.611 3.611 . 0 0 "[ ]" 1
180 1 29 G H2' 1 29 G H8 3.500 2.500 4.500 4.443 4.443 4.443 . 0 0 "[ ]" 1
181 1 29 G H3' 1 29 G H8 3.500 2.500 4.500 3.237 3.237 3.237 . 0 0 "[ ]" 1
182 1 29 G H4' 1 29 G H8 3.500 2.500 4.500 4.420 4.420 4.420 . 0 0 "[ ]" 1
183 1 29 G H5' 1 29 G H8 3.500 2.500 4.500 2.846 2.846 2.846 . 0 0 "[ ]" 1
184 1 29 G H5'' 1 29 G H8 3.500 2.500 4.500 2.326 2.326 2.326 0.174 1 0 "[ ]" 1
185 1 29 G H1' 1 30 U H6 4.000 3.000 5.000 5.080 5.080 5.080 0.080 1 0 "[ ]" 1
186 1 29 G H2' 1 30 U H6 3.000 . 4.000 3.242 3.242 3.242 . 0 0 "[ ]" 1
187 1 30 U H1' 1 30 U H6 4.000 3.000 5.000 3.385 3.385 3.385 . 0 0 "[ ]" 1
188 1 30 U H2' 1 30 U H6 3.500 2.500 4.500 4.416 4.416 4.416 . 0 0 "[ ]" 1
189 1 30 U H3' 1 30 U H6 3.500 2.500 4.500 3.382 3.382 3.382 . 0 0 "[ ]" 1
190 1 30 U H2' 1 31 C H6 3.000 . 4.000 3.268 3.268 3.268 . 0 0 "[ ]" 1
191 1 31 C H1' 1 31 C H6 4.000 3.000 5.000 3.330 3.330 3.330 . 0 0 "[ ]" 1
192 1 12 G H1' 1 32 A H2 3.000 . 4.000 3.934 3.934 3.934 . 0 0 "[ ]" 1
193 1 32 A H1' 1 32 A H2 5.000 4.000 6.000 4.587 4.587 4.587 . 0 0 "[ ]" 1
194 1 5 U H5 1 19 G H1 5.370 3.370 7.370 6.222 6.222 6.222 . 0 0 "[ ]" 1
195 1 6 C H42 1 18 G H1 5.370 4.370 5.870 5.190 5.190 5.190 . 0 0 "[ ]" 1
196 1 6 C H5 1 18 G H1 5.200 3.200 7.200 6.672 6.672 6.672 . 0 0 "[ ]" 1
197 1 6 C H5 1 19 G H1 4.550 3.550 5.050 4.967 4.967 4.967 . 0 0 "[ ]" 1
198 1 19 G H1 1 20 A H1' 4.000 3.000 5.000 4.647 4.647 4.647 . 0 0 "[ ]" 1
199 1 7 C H42 1 8 G H1 5.310 4.310 5.810 5.569 5.569 5.569 . 0 0 "[ ]" 1
200 1 7 C H42 1 19 G H1 5.280 4.280 5.780 4.409 4.409 4.409 . 0 0 "[ ]" 1
201 1 7 C H5 1 18 G H1 4.040 4.000 4.540 4.692 4.692 4.692 0.152 1 0 "[ ]" 1
202 1 7 C H5 1 19 G H1 4.590 3.590 5.090 4.433 4.433 4.433 . 0 0 "[ ]" 1
203 1 17 C H2' 1 18 G H1' 5.250 4.250 5.750 3.477 3.477 3.477 0.773 1 1 [+] 1
204 1 18 G H1 1 19 G H1' 4.000 3.000 5.000 5.201 5.201 5.201 0.201 1 0 "[ ]" 1
205 1 8 G H1 1 17 C H1' 5.000 4.000 5.500 5.524 5.524 5.524 0.024 1 0 "[ ]" 1
206 1 9 G H1 1 17 C H1' 4.410 3.410 4.910 4.453 4.453 4.453 . 0 0 "[ ]" 1
207 1 16 C H2' 1 17 C H1' 5.020 4.020 5.520 3.759 3.759 3.759 0.261 1 0 "[ ]" 1
208 1 9 G H1 1 17 C H41 5.360 4.360 5.860 4.207 4.207 4.207 0.153 1 0 "[ ]" 1
209 1 17 C H41 1 18 G H1 4.810 3.810 5.310 4.097 4.097 4.097 . 0 0 "[ ]" 1
210 1 17 C H42 1 18 G H1 4.790 3.790 5.290 5.440 5.440 5.440 0.150 1 0 "[ ]" 1
211 1 9 G H1 1 17 C H5 5.010 4.010 5.510 4.662 4.662 4.662 . 0 0 "[ ]" 1
212 1 10 U H3 1 16 C H1' 5.370 3.370 7.370 7.338 7.338 7.338 . 0 0 "[ ]" 1
213 1 8 G H1 1 16 C H5 6.000 5.000 7.000 6.860 6.860 6.860 . 0 0 "[ ]" 1
214 1 9 G H1 1 16 C H5 5.030 4.030 5.530 5.393 5.393 5.393 . 0 0 "[ ]" 1
215 1 16 C H2' 1 29 G H1 5.000 4.000 5.500 4.112 4.112 4.112 . 0 0 "[ ]" 1
216 1 9 G H1 1 10 U H5 4.320 3.320 4.820 4.850 4.850 4.850 0.030 1 0 "[ ]" 1
217 1 10 U H5 1 29 G H1 4.800 3.800 5.800 5.848 5.848 5.848 0.048 1 0 "[ ]" 1
218 1 9 G H1 1 28 A H2 5.280 3.280 7.280 7.460 7.460 7.460 0.180 1 0 "[ ]" 1
219 1 28 A H2 1 29 G H1 5.240 4.240 5.740 5.382 5.382 5.382 . 0 0 "[ ]" 1
220 1 11 CH H41 1 28 A H62 5.320 4.320 5.820 4.775 4.775 4.775 . 0 0 "[ ]" 1
221 1 11 CH H42 1 28 A H62 5.110 4.110 5.610 5.686 5.686 5.686 0.076 1 0 "[ ]" 1
222 1 16 C H2' 1 28 A H62 5.370 4.370 5.870 4.322 4.322 4.322 0.048 1 0 "[ ]" 1
223 1 28 A H62 1 29 G H1 4.680 3.680 5.180 5.318 5.318 5.318 0.138 1 0 "[ ]" 1
224 1 11 CH H42 1 28 A H8 4.650 3.650 5.150 4.565 4.565 4.565 . 0 0 "[ ]" 1
225 1 19 G H1 1 23 A H1' 4.840 3.840 5.340 5.424 5.424 5.424 0.084 1 0 "[ ]" 1
226 1 9 G H1 1 27 A H2 5.330 4.330 5.830 5.854 5.854 5.854 0.024 1 0 "[ ]" 1
227 1 10 U H3 1 27 A H2 5.070 4.070 5.570 4.034 4.034 4.034 0.036 1 0 "[ ]" 1
228 1 16 C H2' 1 27 A H2 4.560 3.560 5.060 4.492 4.492 4.492 . 0 0 "[ ]" 1
229 1 16 C H2' 1 29 G H21 4.810 3.810 5.310 4.281 4.281 4.281 . 0 0 "[ ]" 1
230 1 9 G H1 1 14 C H42 5.010 4.010 5.510 4.066 4.066 4.066 . 0 0 "[ ]" 1
231 1 16 C H2' 1 29 G H22 4.850 3.850 5.350 4.664 4.664 4.664 . 0 0 "[ ]" 1
232 1 14 C H42 1 30 U H3 5.370 4.370 5.870 5.835 5.835 5.835 . 0 0 "[ ]" 1
233 1 12 G H1 1 13 A H1' 4.400 4.000 4.900 5.007 5.007 5.007 0.107 1 0 "[ ]" 1
234 1 13 A H2 1 29 G H1 4.730 3.730 5.230 4.877 4.877 4.877 . 0 0 "[ ]" 1
235 1 29 G H1 1 30 U H1' 4.880 3.880 5.380 5.417 5.417 5.417 0.037 1 0 "[ ]" 1
236 1 30 U H1' 1 30 U H3 5.370 4.370 5.870 4.426 4.426 4.426 . 0 0 "[ ]" 1
237 1 12 G H1 1 30 U H5 5.100 4.100 5.600 5.776 5.776 5.776 0.176 1 0 "[ ]" 1
238 1 12 G H1 1 31 C H5 5.930 4.930 6.430 5.243 5.243 5.243 . 0 0 "[ ]" 1
239 1 12 G H1 1 32 A H2 5.350 4.350 5.850 5.493 5.493 5.493 . 0 0 "[ ]" 1
240 1 10 U H5 1 11 CH H2' 3.500 2.500 4.500 2.713 2.713 2.713 . 0 0 "[ ]" 1
241 1 19 G H3' 1 23 A H2 3.500 2.500 4.500 4.573 4.573 4.573 0.073 1 0 "[ ]" 1
242 1 16 C Q5' 1 28 A H2 3.000 . 4.000 6.230 6.230 6.230 2.230 1 1 [+] 1
243 1 17 C H5' 1 28 A H2 3.000 . 4.000 3.691 3.691 3.691 . 0 0 "[ ]" 1
244 1 6 C H42 1 19 G H1 3.000 . 4.000 3.949 3.949 3.949 . 0 0 "[ ]" 1
245 1 6 C H41 1 19 G H1 3.500 2.500 4.500 2.437 2.437 2.437 0.063 1 0 "[ ]" 1
246 1 19 G H1 1 20 A H2 2.000 . 3.000 3.462 3.462 3.462 0.462 1 0 "[ ]" 1
247 1 7 C H42 1 18 G H1 3.000 2.500 4.000 3.386 3.386 3.386 . 0 0 "[ ]" 1
248 1 17 C H1' 1 17 C H2' 3.000 . 4.000 2.341 2.341 2.341 . 0 0 "[ ]" 1
249 1 17 C H2' 1 17 C H3' 3.500 2.500 4.500 2.577 2.577 2.577 . 0 0 "[ ]" 1
250 1 8 G H1 1 17 C H41 2.500 . 3.500 1.776 1.776 1.776 . 0 0 "[ ]" 1
251 1 8 G H1 1 17 C H42 3.000 . 4.000 3.356 3.356 3.356 . 0 0 "[ ]" 1
252 1 16 C H2' 1 29 G H1' 4.500 3.500 5.500 5.669 5.669 5.669 0.169 1 0 "[ ]" 1
253 1 14 C H41 1 16 C H1' 2.500 . 3.500 2.457 2.457 2.457 . 0 0 "[ ]" 1
254 1 14 C H42 1 16 C H1' 2.500 . 3.500 3.570 3.570 3.570 0.070 1 0 "[ ]" 1
255 1 16 C H1' 1 29 G H1 3.000 . 4.000 2.288 2.288 2.288 . 0 0 "[ ]" 1
256 1 16 C H1' 1 16 C H2' 3.500 2.500 4.500 2.286 2.286 2.286 0.214 1 0 "[ ]" 1
257 1 16 C H2' 1 16 C H3' 3.500 2.500 4.500 2.623 2.623 2.623 . 0 0 "[ ]" 1
258 1 9 G H1 1 16 C H41 2.500 . 3.500 3.240 3.240 3.240 . 0 0 "[ ]" 1
259 1 9 G H1 1 16 C H42 3.500 2.500 4.500 4.632 4.632 4.632 0.132 1 0 "[ ]" 1
260 1 16 C H1' 1 29 G H21 3.000 . 4.000 2.397 2.397 2.397 . 0 0 "[ ]" 1
261 1 10 U H5 1 28 A H62 3.000 . 4.000 3.479 3.479 3.479 . 0 0 "[ ]" 1
262 1 10 U H6 1 28 A H62 4.000 3.000 5.000 4.870 4.870 4.870 . 0 0 "[ ]" 1
263 1 16 C H2' 1 28 A H2 2.500 . 3.500 3.758 3.758 3.758 0.258 1 0 "[ ]" 1
264 1 10 U H3 1 28 A H62 3.000 . 4.000 2.407 2.407 2.407 . 0 0 "[ ]" 1
265 1 9 G H1 1 28 A H61 4.000 . 7.000 3.852 3.852 3.852 . 0 0 "[ ]" 1
266 1 10 U H3 1 28 A H61 3.000 . 4.000 4.035 4.035 4.035 0.035 1 0 "[ ]" 1
267 1 16 C H2' 1 28 A H61 4.000 3.000 5.000 2.716 2.716 2.716 0.284 1 0 "[ ]" 1
268 1 28 A H61 1 29 G H1 3.000 . 4.000 4.007 4.007 4.007 0.007 1 0 "[ ]" 1
269 1 10 U H3 1 28 A H8 3.000 . 4.000 3.302 3.302 3.302 . 0 0 "[ ]" 1
270 1 11 CH H41 1 28 A H8 5.000 3.000 7.000 4.830 4.830 4.830 . 0 0 "[ ]" 1
271 1 17 C H2' 1 26 A H2 3.000 . 4.000 3.742 3.742 3.742 . 0 0 "[ ]" 1
272 1 9 G H2' 1 27 A H61 4.000 3.000 5.000 3.347 3.347 3.347 . 0 0 "[ ]" 1
273 1 9 G H2' 1 27 A H62 4.000 3.000 5.000 2.881 2.881 2.881 0.119 1 0 "[ ]" 1
274 1 17 C H1' 1 27 A H61 3.500 2.500 4.500 4.509 4.509 4.509 0.009 1 0 "[ ]" 1
275 1 10 U H3 1 11 CH H41 5.000 4.000 6.000 3.847 3.847 3.847 0.153 1 0 "[ ]" 1
276 1 10 U H3 1 11 CH H42 3.500 2.500 4.500 4.031 4.031 4.031 . 0 0 "[ ]" 1
277 1 10 U H3 1 11 CH H5 4.000 3.000 5.000 4.632 4.632 4.632 . 0 0 "[ ]" 1
278 1 14 C H2' 1 16 C H42 5.000 4.000 6.000 4.768 4.768 4.768 . 0 0 "[ ]" 1
279 1 14 C H41 1 29 G H1 2.710 . 4.710 1.773 1.773 1.773 . 0 0 "[ ]" 1
280 1 13 A H2 1 30 U H3 3.000 . 4.000 2.196 2.196 2.196 . 0 0 "[ ]" 1
281 1 12 G H1 1 13 A H2 3.000 . 4.000 4.033 4.033 4.033 0.033 1 0 "[ ]" 1
282 1 13 A H61 1 29 G H1 5.000 3.000 7.000 3.393 3.393 3.393 . 0 0 "[ ]" 1
283 1 13 A H61 1 30 U H3 3.500 2.500 4.500 3.897 3.897 3.897 . 0 0 "[ ]" 1
284 1 13 A H62 1 29 G H1 5.000 4.000 6.000 4.611 4.611 4.611 . 0 0 "[ ]" 1
285 1 13 A H62 1 30 U H3 5.000 4.000 6.000 5.295 5.295 5.295 . 0 0 "[ ]" 1
286 1 29 G H1 1 30 U H3 5.000 4.000 6.000 3.800 3.800 3.800 0.200 1 0 "[ ]" 1
287 1 12 G H1 1 12 G H1' 5.000 4.000 6.000 6.104 6.104 6.104 0.104 1 0 "[ ]" 1
288 1 12 G H1 1 31 C H41 2.500 . 3.500 2.868 2.868 2.868 . 0 0 "[ ]" 1
289 1 12 G H1 1 31 C H42 3.500 2.500 4.500 4.350 4.350 4.350 . 0 0 "[ ]" 1
290 1 12 G H1 1 32 A H1' 4.000 3.000 5.000 4.944 4.944 4.944 . 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 38
_Distance_constraint_stats_list.Viol_count 26
_Distance_constraint_stats_list.Viol_total 4.768
_Distance_constraint_stats_list.Viol_max 0.949
_Distance_constraint_stats_list.Viol_rms 0.2242
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1255
_Distance_constraint_stats_list.Viol_average_violations_only 0.1834
_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 5 U 0.369 0.206 1 0 "[ ]"
1 6 C 0.287 0.209 1 0 "[ ]"
1 7 C 0.067 0.060 1 0 "[ ]"
1 8 G 0.062 0.062 1 0 "[ ]"
1 9 G 0.364 0.116 1 0 "[ ]"
1 10 U 0.449 0.449 1 0 "[ ]"
1 11 CH 0.818 0.787 1 1 [+]
1 12 G 0.075 0.049 1 0 "[ ]"
1 13 A 1.158 0.787 1 1 [+]
1 14 C 0.155 0.141 1 0 "[ ]"
1 16 C 1.062 0.949 1 1 [+]
1 17 C 0.795 0.671 1 1 [+]
1 18 G 0.067 0.060 1 0 "[ ]"
1 19 G 0.287 0.209 1 0 "[ ]"
1 20 A 0.369 0.206 1 0 "[ ]"
1 26 A 0.733 0.671 1 1 [+]
1 27 A 0.320 0.116 1 0 "[ ]"
1 28 A 1.468 0.949 1 1 [+]
1 29 G 0.186 0.141 1 0 "[ ]"
1 30 U 0.371 0.218 1 0 "[ ]"
1 31 C 0.075 0.049 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 U N3 1 20 A N1 2.800 2.700 2.900 3.106 3.106 3.106 0.206 1 0 "[ ]" 2
2 1 5 U O4 1 20 A N6 2.800 2.700 2.900 2.537 2.537 2.537 0.163 1 0 "[ ]" 2
3 1 6 C N3 1 19 G N1 2.950 2.850 3.050 2.993 2.993 2.993 . 0 0 "[ ]" 2
4 1 6 C N4 1 19 G O6 2.910 2.810 3.010 2.731 2.731 2.731 0.079 1 0 "[ ]" 2
5 1 6 C O2 1 19 G N2 2.860 2.760 2.960 3.169 3.169 3.169 0.209 1 0 "[ ]" 2
6 1 7 C N3 1 18 G N1 2.950 2.850 3.050 3.015 3.015 3.015 . 0 0 "[ ]" 2
7 1 7 C N4 1 18 G O6 2.910 2.810 3.010 2.803 2.803 2.803 0.007 1 0 "[ ]" 2
8 1 7 C O2 1 18 G N2 2.860 2.760 2.960 3.020 3.020 3.020 0.060 1 0 "[ ]" 2
9 1 8 G N1 1 17 C N3 2.950 2.850 3.050 2.895 2.895 2.895 . 0 0 "[ ]" 2
10 1 8 G O6 1 17 C N4 2.910 2.810 3.010 2.748 2.748 2.748 0.062 1 0 "[ ]" 2
11 1 8 G N2 1 17 C O2 2.860 2.760 2.960 2.852 2.852 2.852 . 0 0 "[ ]" 2
12 1 9 G N1 1 16 C N3 2.950 2.850 3.050 2.966 2.966 2.966 . 0 0 "[ ]" 2
13 1 9 G O6 1 16 C N4 2.910 2.810 3.010 2.770 2.770 2.770 0.040 1 0 "[ ]" 2
14 1 9 G N2 1 16 C O2 2.860 2.760 2.960 2.964 2.964 2.964 0.004 1 0 "[ ]" 2
15 1 14 C N3 1 29 G N1 2.950 2.850 3.050 2.876 2.876 2.876 . 0 0 "[ ]" 2
16 1 14 C N4 1 29 G O6 2.910 2.810 3.010 2.900 2.900 2.900 . 0 0 "[ ]" 2
17 1 14 C O2 1 29 G N2 2.860 2.760 2.960 2.921 2.921 2.921 . 0 0 "[ ]" 2
18 1 14 C O2 1 29 G H21 1.900 . 2.000 2.014 2.014 2.014 0.014 1 0 "[ ]" 2
19 1 14 C H41 1 29 G O6 1.900 . 2.000 2.141 2.141 2.141 0.141 1 0 "[ ]" 2
20 1 13 A N1 1 30 U N3 2.820 2.720 2.920 3.074 3.074 3.074 0.154 1 0 "[ ]" 2
21 1 13 A N6 1 30 U O4 2.950 2.850 3.050 2.632 2.632 2.632 0.218 1 0 "[ ]" 2
22 1 11 CH O2 1 13 A N6 1.900 . 2.000 2.787 2.787 2.787 0.787 1 1 [+] 2
23 1 12 G N1 1 31 C N3 2.950 2.850 3.050 2.975 2.975 2.975 . 0 0 "[ ]" 2
24 1 12 G O6 1 31 C N4 2.910 2.810 3.010 2.784 2.784 2.784 0.026 1 0 "[ ]" 2
25 1 12 G N2 1 31 C O2 2.860 2.760 2.960 3.009 3.009 3.009 0.049 1 0 "[ ]" 2
26 1 11 CH N3 1 29 G O6 2.900 2.800 3.000 3.031 3.031 3.031 0.031 1 0 "[ ]" 2
27 1 11 CH N4 1 29 G N7 2.900 2.800 3.000 2.909 2.909 2.909 . 0 0 "[ ]" 2
28 1 10 U N3 1 28 A N7 2.900 2.800 3.000 2.845 2.845 2.845 . 0 0 "[ ]" 2
29 1 10 U O4 1 28 A N6 2.900 2.800 3.000 2.351 2.351 2.351 0.449 1 0 "[ ]" 2
30 1 10 U H3 1 28 A N7 1.900 . 2.000 1.865 1.865 1.865 . 0 0 "[ ]" 2
31 1 16 C O2' 1 28 A N1 2.900 2.800 3.000 2.731 2.731 2.731 0.069 1 0 "[ ]" 2
32 1 16 C H2' 1 28 A N1 1.900 . 2.000 2.949 2.949 2.949 0.949 1 1 [+] 2
33 1 17 C O2' 1 26 A N1 2.900 2.800 3.000 2.738 2.738 2.738 0.062 1 0 "[ ]" 2
34 1 17 C H2' 1 26 A N1 1.900 . 2.000 2.671 2.671 2.671 0.671 1 1 [+] 2
35 1 9 G H22 1 27 A N1 1.900 . 2.000 1.745 1.745 1.745 0.055 1 0 "[ ]" 2
36 1 9 G N3 1 27 A H61 1.900 . 2.000 2.109 2.109 2.109 0.109 1 0 "[ ]" 2
37 1 9 G N3 1 27 A N6 2.900 2.800 3.000 2.760 2.760 2.760 0.040 1 0 "[ ]" 2
38 1 9 G N2 1 27 A N1 2.900 2.800 3.000 2.684 2.684 2.684 0.116 1 0 "[ ]" 2
stop_
save_
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