NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
482119 |
1jwc   |
5170 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1jwc
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 212
_Distance_constraint_stats_list.Viol_count 52
_Distance_constraint_stats_list.Viol_total 45.207
_Distance_constraint_stats_list.Viol_max 3.077
_Distance_constraint_stats_list.Viol_rms 0.5151
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2132
_Distance_constraint_stats_list.Viol_average_violations_only 0.8694
_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 8 G 1.272 1.071 1 1 [+]
1 9 G 3.654 1.504 1 1 [+]
1 10 C 1.811 0.585 1 1 [+]
1 11 C 2.337 0.644 1 1 [+]
1 12 C 1.140 0.644 1 1 [+]
1 13 U 2.906 1.169 1 1 [+]
1 14 U 12.295 3.077 1 1 [+]
1 15 U 13.557 3.077 1 1 [+]
1 16 U 12.467 2.345 1 1 [+]
1 17 C 13.149 2.438 1 1 [+]
1 18 A 11.759 2.438 1 1 [+]
1 19 G 1.665 0.842 1 1 [+]
1 20 G 1.640 0.842 1 1 [+]
1 21 G 4.700 1.648 1 1 [+]
1 22 C 3.441 1.648 1 1 [+]
1 23 C 0.849 0.572 1 1 [+]
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 G H1' 1 8 G H5'' 3.900 . 6.000 4.580 4.580 4.580 . 0 0 "[ ]" 1
2 1 8 G H1' 1 8 G H8 3.400 . 5.000 3.845 3.845 3.845 . 0 0 "[ ]" 1
3 1 8 G H2' 1 8 G H8 3.400 . 5.000 3.360 3.360 3.360 . 0 0 "[ ]" 1
4 1 8 G H3' 1 8 G H8 3.900 . 6.000 3.462 3.462 3.462 . 0 0 "[ ]" 1
5 1 8 G H4' 1 8 G H8 3.900 . 6.000 4.556 4.556 4.556 . 0 0 "[ ]" 1
6 1 8 G H5' 1 8 G H8 3.400 . 5.000 4.387 4.387 4.387 . 0 0 "[ ]" 1
7 1 8 G H5'' 1 8 G H8 3.900 . 6.000 2.790 2.790 2.790 . 0 0 "[ ]" 1
8 1 8 G H1' 1 9 G H8 3.400 . 5.000 6.071 6.071 6.071 1.071 1 1 [+] 1
9 1 8 G H2' 1 9 G H8 2.900 . 4.000 3.313 3.313 3.313 . 0 0 "[ ]" 1
10 1 8 G H3' 1 9 G H8 3.400 . 5.000 4.018 4.018 4.018 . 0 0 "[ ]" 1
11 1 8 G H8 1 9 G H8 3.400 . 5.000 4.633 4.633 4.633 . 0 0 "[ ]" 1
12 1 8 G H2' 1 9 G H1' 3.900 . 6.000 4.859 4.859 4.859 . 0 0 "[ ]" 1
13 1 8 G H1' 1 9 G H5'' 3.900 . 6.000 6.201 6.201 6.201 0.201 1 0 "[ ]" 1
14 1 8 G H1 1 23 C Q4 2.900 . 4.000 2.800 2.800 2.800 . 0 0 "[ ]" 1
15 1 9 G H1' 1 9 G H8 3.900 . 6.000 3.830 3.830 3.830 . 0 0 "[ ]" 1
16 1 9 G H2' 1 9 G H8 2.900 . 4.000 3.456 3.456 3.456 . 0 0 "[ ]" 1
17 1 9 G H3' 1 9 G H8 3.400 . 5.000 3.410 3.410 3.410 . 0 0 "[ ]" 1
18 1 9 G H4' 1 9 G H8 3.400 . 5.000 4.531 4.531 4.531 . 0 0 "[ ]" 1
19 1 9 G H5'' 1 9 G H8 3.400 . 5.000 2.802 2.802 2.802 . 0 0 "[ ]" 1
20 1 9 G H1' 1 10 C H6 3.900 . 6.000 5.588 5.588 5.588 . 0 0 "[ ]" 1
21 1 9 G H2' 1 10 C H6 2.900 . 4.000 2.986 2.986 2.986 . 0 0 "[ ]" 1
22 1 9 G H3' 1 10 C H6 3.400 . 5.000 4.354 4.354 4.354 . 0 0 "[ ]" 1
23 1 9 G H2' 1 10 C H5 3.400 . 5.000 4.416 4.416 4.416 . 0 0 "[ ]" 1
24 1 9 G H3' 1 10 C H5 3.400 . 5.000 5.575 5.575 5.575 0.575 1 1 [+] 1
25 1 9 G H1' 1 9 G H5'' 3.900 . 6.000 4.606 4.606 4.606 . 0 0 "[ ]" 1
26 1 9 G H2' 1 10 C H1' 3.400 . 5.000 4.565 4.565 4.565 . 0 0 "[ ]" 1
27 1 9 G H8 1 10 C H5 3.400 . 5.000 4.676 4.676 4.676 . 0 0 "[ ]" 1
28 1 9 G H1 1 21 G H1' 4.400 . 7.000 8.504 8.504 8.504 1.504 1 1 [+] 1
29 1 9 G H1 1 22 C H1' 3.900 . 6.000 5.691 5.691 5.691 . 0 0 "[ ]" 1
30 1 9 G H1 1 22 C H5 3.900 . 6.000 5.530 5.530 5.530 . 0 0 "[ ]" 1
31 1 9 G H1 1 22 C H42 2.900 . 4.000 4.302 4.302 4.302 0.302 1 0 "[ ]" 1
32 1 9 G H1 1 23 C Q4 3.900 . 6.000 5.595 5.595 5.595 . 0 0 "[ ]" 1
33 1 10 C H1' 1 10 C H5 3.900 . 6.000 5.409 5.409 5.409 . 0 0 "[ ]" 1
34 1 10 C H1' 1 10 C H6 3.900 . 6.000 3.681 3.681 3.681 . 0 0 "[ ]" 1
35 1 10 C H2' 1 10 C H6 2.900 . 4.000 3.275 3.275 3.275 . 0 0 "[ ]" 1
36 1 10 C H3' 1 10 C H6 3.400 . 5.000 3.128 3.128 3.128 . 0 0 "[ ]" 1
37 1 10 C H4' 1 10 C H6 3.900 . 6.000 4.280 4.280 4.280 . 0 0 "[ ]" 1
38 1 10 C H5' 1 10 C H6 3.400 . 5.000 4.132 4.132 4.132 . 0 0 "[ ]" 1
39 1 10 C H5'' 1 10 C H6 3.400 . 5.000 2.688 2.688 2.688 . 0 0 "[ ]" 1
40 1 10 C H1' 1 11 C H6 3.400 . 5.000 5.508 5.508 5.508 0.508 1 1 [+] 1
41 1 10 C H2' 1 11 C H6 3.400 . 5.000 2.901 2.901 2.901 . 0 0 "[ ]" 1
42 1 10 C H3' 1 11 C H6 3.400 . 5.000 4.268 4.268 4.268 . 0 0 "[ ]" 1
43 1 10 C H2' 1 11 C H5 3.400 . 5.000 4.555 4.555 4.555 . 0 0 "[ ]" 1
44 1 10 C H3' 1 11 C H5 3.400 . 5.000 5.585 5.585 5.585 0.585 1 1 [+] 1
45 1 10 C H1' 1 10 C H5'' 3.900 . 6.000 4.560 4.560 4.560 . 0 0 "[ ]" 1
46 1 10 C H1' 1 11 C Q5' 3.900 . 6.000 5.420 5.420 5.420 . 0 0 "[ ]" 1
47 1 10 C H6 1 11 C H5 3.400 . 5.000 4.748 4.748 4.748 . 0 0 "[ ]" 1
48 1 10 C H5 1 11 C H5 3.400 . 5.000 3.866 3.866 3.866 . 0 0 "[ ]" 1
49 1 10 C H42 1 21 G H1 2.900 . 4.000 4.143 4.143 4.143 0.143 1 0 "[ ]" 1
50 1 10 C H41 1 21 G H1 2.900 . 4.000 2.519 2.519 2.519 . 0 0 "[ ]" 1
51 1 10 C H42 1 11 C H42 3.900 . 6.000 3.268 3.268 3.268 . 0 0 "[ ]" 1
52 1 10 C H42 1 22 C H41 3.900 . 6.000 4.089 4.089 4.089 . 0 0 "[ ]" 1
53 1 11 C H1' 1 11 C H6 3.400 . 5.000 3.652 3.652 3.652 . 0 0 "[ ]" 1
54 1 11 C H2' 1 11 C H6 2.900 . 4.000 3.269 3.269 3.269 . 0 0 "[ ]" 1
55 1 11 C H3' 1 11 C H6 3.400 . 5.000 3.677 3.677 3.677 . 0 0 "[ ]" 1
56 1 11 C H4' 1 11 C H6 3.400 . 5.000 4.347 4.347 4.347 . 0 0 "[ ]" 1
57 1 11 C Q5' 1 11 C H6 3.400 . 5.000 2.796 2.796 2.796 . 0 0 "[ ]" 1
58 1 11 C H1' 1 12 C H6 3.900 . 6.000 5.622 5.622 5.622 . 0 0 "[ ]" 1
59 1 11 C H2' 1 12 C H6 3.400 . 5.000 2.919 2.919 2.919 . 0 0 "[ ]" 1
60 1 11 C H3' 1 12 C H6 3.400 . 5.000 4.242 4.242 4.242 . 0 0 "[ ]" 1
61 1 11 C H4' 1 12 C H6 3.900 . 6.000 6.644 6.644 6.644 0.644 1 1 [+] 1
62 1 11 C Q5' 1 12 C H6 3.900 . 6.000 5.820 5.820 5.820 . 0 0 "[ ]" 1
63 1 11 C H2' 1 12 C H5 3.400 . 5.000 3.798 3.798 3.798 . 0 0 "[ ]" 1
64 1 11 C H3' 1 12 C H5 3.400 . 5.000 5.264 5.264 5.264 0.264 1 0 "[ ]" 1
65 1 11 C H1' 1 11 C Q5' 3.900 . 6.000 4.214 4.214 4.214 . 0 0 "[ ]" 1
66 1 11 C H1' 1 12 C H5'' 3.900 . 6.000 5.841 5.841 5.841 . 0 0 "[ ]" 1
67 1 11 C H6 1 12 C H5 3.400 . 5.000 5.037 5.037 5.037 0.037 1 0 "[ ]" 1
68 1 11 C H1' 1 20 G H1 3.900 . 6.000 5.772 5.772 5.772 . 0 0 "[ ]" 1
69 1 11 C H42 1 20 G H1 2.900 . 4.000 4.300 4.300 4.300 0.300 1 0 "[ ]" 1
70 1 11 C H41 1 20 G H1 2.900 . 4.000 2.699 2.699 2.699 . 0 0 "[ ]" 1
71 1 11 C H5 1 12 C H42 3.900 . 6.000 4.804 4.804 4.804 . 0 0 "[ ]" 1
72 1 11 C H42 1 12 C H42 3.900 . 6.000 4.073 4.073 4.073 . 0 0 "[ ]" 1
73 1 12 C H1' 1 12 C H6 3.400 . 5.000 3.700 3.700 3.700 . 0 0 "[ ]" 1
74 1 12 C H2' 1 12 C H6 3.400 . 5.000 3.224 3.224 3.224 . 0 0 "[ ]" 1
75 1 12 C H3' 1 12 C H6 3.400 . 5.000 2.987 2.987 2.987 . 0 0 "[ ]" 1
76 1 12 C H4' 1 12 C H6 3.400 . 5.000 4.273 4.273 4.273 . 0 0 "[ ]" 1
77 1 12 C H1' 1 13 U H6 3.900 . 6.000 4.948 4.948 4.948 . 0 0 "[ ]" 1
78 1 12 C H2' 1 13 U H6 3.400 . 5.000 2.372 2.372 2.372 . 0 0 "[ ]" 1
79 1 12 C H3' 1 13 U H6 3.400 . 5.000 3.805 3.805 3.805 . 0 0 "[ ]" 1
80 1 12 C H2' 1 13 U H5 3.400 . 5.000 4.083 4.083 4.083 . 0 0 "[ ]" 1
81 1 12 C H3' 1 13 U H5 3.400 . 5.000 5.001 5.001 5.001 0.001 1 0 "[ ]" 1
82 1 12 C H1' 1 12 C H5'' 3.900 . 6.000 4.579 4.579 4.579 . 0 0 "[ ]" 1
83 1 12 C H1' 1 13 U H5'' 3.900 . 6.000 5.880 5.880 5.880 . 0 0 "[ ]" 1
84 1 12 C H1' 1 19 G H1 3.900 . 6.000 5.656 5.656 5.656 . 0 0 "[ ]" 1
85 1 12 C H42 1 19 G H1 2.900 . 4.000 4.194 4.194 4.194 0.194 1 0 "[ ]" 1
86 1 12 C H41 1 19 G H1 2.900 . 4.000 2.606 2.606 2.606 . 0 0 "[ ]" 1
87 1 12 C H6 1 13 U H5 3.400 . 5.000 3.935 3.935 3.935 . 0 0 "[ ]" 1
88 1 13 U H1' 1 13 U H6 3.900 . 5.000 3.542 3.542 3.542 . 0 0 "[ ]" 1
89 1 13 U H2' 1 13 U H6 3.900 . 5.000 3.843 3.843 3.843 . 0 0 "[ ]" 1
90 1 13 U H3' 1 13 U H6 3.400 . 5.000 3.344 3.344 3.344 . 0 0 "[ ]" 1
91 1 13 U H5' 1 13 U H6 3.400 . 5.000 4.371 4.371 4.371 . 0 0 "[ ]" 1
92 1 13 U H5'' 1 13 U H6 3.400 . 5.000 2.777 2.777 2.777 . 0 0 "[ ]" 1
93 1 13 U H1' 1 14 U H6 3.400 . 5.000 6.169 6.169 6.169 1.169 1 1 [+] 1
94 1 13 U H5'' 1 14 U H6 3.900 . 5.000 4.844 4.844 4.844 . 0 0 "[ ]" 1
95 1 13 U H6 1 14 U H1' 3.400 . 5.000 5.532 5.532 5.532 0.532 1 1 [+] 1
96 1 13 U H1' 1 13 U H5' 3.900 . 5.000 5.175 5.175 5.175 0.175 1 0 "[ ]" 1
97 1 13 U H1' 1 13 U H5'' 3.900 . 5.000 4.616 4.616 4.616 . 0 0 "[ ]" 1
98 1 13 U H2' 1 14 U H1' 3.900 . 5.000 3.438 3.438 3.438 . 0 0 "[ ]" 1
99 1 13 U H6 1 14 U H5 3.400 . 5.000 5.150 5.150 5.150 0.150 1 0 "[ ]" 1
100 1 13 U H3' 1 14 U H6 3.400 . 5.000 2.884 2.884 2.884 . 0 0 "[ ]" 1
101 1 13 U H4' 1 14 U H6 3.400 . 5.000 5.878 5.878 5.878 0.878 1 1 [+] 1
102 1 14 U H1' 1 14 U H6 3.900 . 5.000 3.703 3.703 3.703 . 0 0 "[ ]" 1
103 1 14 U H2' 1 14 U H6 2.900 . 4.000 3.234 3.234 3.234 . 0 0 "[ ]" 1
104 1 14 U H4' 1 14 U H6 3.900 . 5.000 4.213 4.213 4.213 . 0 0 "[ ]" 1
105 1 14 U Q5' 1 14 U H6 3.900 . 5.000 3.521 3.521 3.521 . 0 0 "[ ]" 1
106 1 14 U H1' 1 15 U H6 3.900 . 5.000 6.377 6.377 6.377 1.377 1 1 [+] 1
107 1 14 U H4' 1 15 U H6 3.400 . 5.000 6.692 6.692 6.692 1.692 1 1 [+] 1
108 1 14 U H5 1 15 U H5 3.400 . 5.000 6.908 6.908 6.908 1.908 1 1 [+] 1
109 1 14 U H6 1 15 U H5 2.900 . 3.500 6.577 6.577 6.577 3.077 1 1 [+] 1
110 1 14 U Q5' 1 15 U H6 3.400 . 5.000 6.057 6.057 6.057 1.057 1 1 [+] 1
111 1 14 U H2' 1 15 U H6 3.400 . 5.000 3.568 3.568 3.568 . 0 0 "[ ]" 1
112 1 14 U H2' 1 16 U H6 3.900 . 5.000 5.455 5.455 5.455 0.455 1 0 "[ ]" 1
113 1 15 U H1' 1 15 U H6 3.400 . 5.000 3.615 3.615 3.615 . 0 0 "[ ]" 1
114 1 15 U H2' 1 15 U H6 2.900 . 3.500 3.340 3.340 3.340 . 0 0 "[ ]" 1
115 1 15 U H3' 1 15 U H6 3.400 . 5.000 4.189 4.189 4.189 . 0 0 "[ ]" 1
116 1 15 U H4' 1 15 U H6 3.400 . 5.000 4.173 4.173 4.173 . 0 0 "[ ]" 1
117 1 15 U H5' 1 15 U H6 3.900 . 5.000 4.241 4.241 4.241 . 0 0 "[ ]" 1
118 1 15 U H1' 1 16 U H1' 3.900 . 6.000 7.405 7.405 7.405 1.405 1 1 [+] 1
119 1 15 U H1' 1 16 U H6 3.900 . 5.000 3.996 3.996 3.996 . 0 0 "[ ]" 1
120 1 15 U H2' 1 16 U H6 3.900 . 5.000 5.869 5.869 5.869 0.869 1 1 [+] 1
121 1 15 U H3' 1 16 U H6 3.400 . 5.000 5.326 5.326 5.326 0.326 1 0 "[ ]" 1
122 1 15 U H6 1 16 U H6 3.900 . 5.000 6.846 6.846 6.846 1.846 1 1 [+] 1
123 1 16 U H1' 1 16 U H6 3.900 . 5.000 3.638 3.638 3.638 . 0 0 "[ ]" 1
124 1 16 U H2' 1 16 U H6 2.900 . 3.500 3.200 3.200 3.200 . 0 0 "[ ]" 1
125 1 16 U H3' 1 16 U H6 3.400 . 5.000 4.235 4.235 4.235 . 0 0 "[ ]" 1
126 1 16 U H5' 1 16 U H6 3.400 . 5.000 2.871 2.871 2.871 . 0 0 "[ ]" 1
127 1 16 U H5'' 1 16 U H6 3.400 . 5.000 4.475 4.475 4.475 . 0 0 "[ ]" 1
128 1 16 U H1' 1 17 C H5 3.900 . 5.000 7.345 7.345 7.345 2.345 1 1 [+] 1
129 1 16 U H1' 1 17 C H6 3.900 . 5.000 5.729 5.729 5.729 0.729 1 1 [+] 1
130 1 16 U H4' 1 17 C H6 3.400 . 5.000 6.485 6.485 6.485 1.485 1 1 [+] 1
131 1 16 U H6 1 18 A H1' 3.900 . 5.000 5.650 5.650 5.650 0.650 1 1 [+] 1
132 1 16 U H1' 1 18 A H8 3.900 . 5.000 3.960 3.960 3.960 . 0 0 "[ ]" 1
133 1 16 U H4' 1 18 A H8 3.900 . 5.000 4.532 4.532 4.532 . 0 0 "[ ]" 1
134 1 16 U H6 1 18 A H2 3.900 . 5.000 5.650 5.650 5.650 0.650 1 1 [+] 1
135 1 16 U H6 1 18 A H8 3.900 . 5.000 6.706 6.706 6.706 1.706 1 1 [+] 1
136 1 17 C H1' 1 17 C H6 3.400 . 5.000 3.606 3.606 3.606 . 0 0 "[ ]" 1
137 1 17 C H2' 1 17 C H6 3.900 . 5.000 3.325 3.325 3.325 . 0 0 "[ ]" 1
138 1 17 C H3' 1 17 C H6 2.900 . 3.500 4.335 4.335 4.335 0.835 1 1 [+] 1
139 1 17 C Q5' 1 17 C H6 3.900 . 5.000 3.242 3.242 3.242 . 0 0 "[ ]" 1
140 1 17 C H1' 1 18 A H8 3.400 . 5.000 4.154 4.154 4.154 . 0 0 "[ ]" 1
141 1 17 C H3' 1 18 A H8 3.400 . 5.000 6.064 6.064 6.064 1.064 1 1 [+] 1
142 1 17 C H4' 1 18 A H8 2.900 . 3.500 4.133 4.133 4.133 0.633 1 1 [+] 1
143 1 17 C Q5' 1 18 A H8 2.900 . 3.500 5.938 5.938 5.938 2.438 1 1 [+] 1
144 1 17 C H1' 1 17 C Q5' 3.900 . 5.000 4.299 4.299 4.299 . 0 0 "[ ]" 1
145 1 17 C Q5' 1 18 A H1' 3.900 . 5.000 6.332 6.332 6.332 1.332 1 1 [+] 1
146 1 17 C H6 1 18 A H8 3.900 . 5.000 7.289 7.289 7.289 2.289 1 1 [+] 1
147 1 18 A H1' 1 18 A H8 3.400 . 5.000 3.713 3.713 3.713 . 0 0 "[ ]" 1
148 1 18 A H2' 1 18 A H8 3.400 . 5.000 3.897 3.897 3.897 . 0 0 "[ ]" 1
149 1 18 A H4' 1 18 A H8 3.400 . 5.000 4.520 4.520 4.520 . 0 0 "[ ]" 1
150 1 18 A H5' 1 18 A H8 2.900 . 4.000 4.432 4.432 4.432 0.432 1 0 "[ ]" 1
151 1 18 A H5'' 1 18 A H8 2.900 . 3.500 2.830 2.830 2.830 . 0 0 "[ ]" 1
152 1 18 A H1' 1 19 G H8 3.400 . 5.000 5.415 5.415 5.415 0.415 1 0 "[ ]" 1
153 1 18 A H2' 1 19 G H8 2.900 . 3.500 2.883 2.883 2.883 . 0 0 "[ ]" 1
154 1 18 A H3' 1 19 G H8 3.400 . 5.000 3.877 3.877 3.877 . 0 0 "[ ]" 1
155 1 18 A H2 1 19 G H1' 3.900 . 5.000 4.861 4.861 4.861 . 0 0 "[ ]" 1
156 1 18 A H2 1 19 G H8 3.900 . 5.000 5.150 5.150 5.150 0.150 1 0 "[ ]" 1
157 1 18 A H8 1 19 G H8 4.400 . 6.000 4.859 4.859 4.859 . 0 0 "[ ]" 1
158 1 18 A H1' 1 18 A H5'' 3.900 . 6.000 4.535 4.535 4.535 . 0 0 "[ ]" 1
159 1 18 A H2' 1 19 G H1' 3.900 . 5.000 4.890 4.890 4.890 . 0 0 "[ ]" 1
160 1 19 G H1' 1 19 G H8 3.400 . 5.000 3.779 3.779 3.779 . 0 0 "[ ]" 1
161 1 19 G H2' 1 19 G H8 2.900 . 4.000 3.687 3.687 3.687 . 0 0 "[ ]" 1
162 1 19 G H3' 1 19 G H8 2.900 . 4.000 3.532 3.532 3.532 . 0 0 "[ ]" 1
163 1 19 G H5'' 1 19 G H8 2.900 . 4.000 2.821 2.821 2.821 . 0 0 "[ ]" 1
164 1 19 G H1' 1 20 G H8 3.400 . 5.000 5.842 5.842 5.842 0.842 1 1 [+] 1
165 1 19 G H2' 1 20 G H8 2.900 . 4.000 3.297 3.297 3.297 . 0 0 "[ ]" 1
166 1 19 G H3' 1 20 G H8 3.400 . 5.000 4.351 4.351 4.351 . 0 0 "[ ]" 1
167 1 19 G H8 1 20 G H8 3.400 . 5.000 5.012 5.012 5.012 0.012 1 0 "[ ]" 1
168 1 19 G H1' 1 20 G H5'' 3.900 . 6.000 5.696 5.696 5.696 . 0 0 "[ ]" 1
169 1 19 G H2' 1 20 G H1' 3.900 . 6.000 4.449 4.449 4.449 . 0 0 "[ ]" 1
170 1 19 G H1 1 19 G H1' 3.900 . 6.000 6.051 6.051 6.051 0.051 1 0 "[ ]" 1
171 1 20 G H1' 1 20 G H8 3.400 . 5.000 3.829 3.829 3.829 . 0 0 "[ ]" 1
172 1 20 G H2' 1 20 G H8 2.900 . 4.000 3.426 3.426 3.426 . 0 0 "[ ]" 1
173 1 20 G H3' 1 20 G H8 2.900 . 4.000 3.545 3.545 3.545 . 0 0 "[ ]" 1
174 1 20 G H5'' 1 20 G H8 2.900 . 4.000 2.877 2.877 2.877 . 0 0 "[ ]" 1
175 1 20 G H1' 1 21 G H8 3.400 . 5.000 5.486 5.486 5.486 0.486 1 0 "[ ]" 1
176 1 20 G H2' 1 21 G H8 2.900 . 4.000 2.925 2.925 2.925 . 0 0 "[ ]" 1
177 1 20 G H3' 1 21 G H8 3.400 . 5.000 4.457 4.457 4.457 . 0 0 "[ ]" 1
178 1 20 G H1' 1 21 G H5'' 3.900 . 6.000 5.659 5.659 5.659 . 0 0 "[ ]" 1
179 1 20 G H2' 1 21 G H1' 3.900 . 6.000 4.982 4.982 4.982 . 0 0 "[ ]" 1
180 1 21 G H1' 1 21 G H8 3.900 . 6.000 3.846 3.846 3.846 . 0 0 "[ ]" 1
181 1 21 G H2' 1 21 G H8 2.900 . 4.000 3.416 3.416 3.416 . 0 0 "[ ]" 1
182 1 21 G H3' 1 21 G H8 3.400 . 5.000 3.236 3.236 3.236 . 0 0 "[ ]" 1
183 1 21 G H4' 1 21 G H8 3.400 . 5.000 4.532 4.532 4.532 . 0 0 "[ ]" 1
184 1 21 G H5'' 1 21 G H8 3.400 . 5.000 2.796 2.796 2.796 . 0 0 "[ ]" 1
185 1 21 G H1' 1 22 C H6 3.400 . 5.000 5.918 5.918 5.918 0.918 1 1 [+] 1
186 1 21 G H2' 1 22 C H6 2.900 . 4.500 3.154 3.154 3.154 . 0 0 "[ ]" 1
187 1 21 G H3' 1 22 C H6 2.900 . 4.500 3.785 3.785 3.785 . 0 0 "[ ]" 1
188 1 21 G H2' 1 22 C H5 3.400 . 5.000 4.327 4.327 4.327 . 0 0 "[ ]" 1
189 1 21 G H3' 1 22 C H5 3.400 . 5.000 4.988 4.988 4.988 . 0 0 "[ ]" 1
190 1 21 G H8 1 22 C H5 3.900 . 6.000 4.127 4.127 4.127 . 0 0 "[ ]" 1
191 1 21 G H8 1 22 C H6 3.400 . 5.000 4.672 4.672 4.672 . 0 0 "[ ]" 1
192 1 21 G H2' 1 22 C H1' 3.400 . 5.000 4.194 4.194 4.194 . 0 0 "[ ]" 1
193 1 10 C H2' 1 21 G H1 3.900 . 6.000 5.904 5.904 5.904 . 0 0 "[ ]" 1
194 1 10 C H5 1 21 G H1 3.900 . 6.000 5.415 5.415 5.415 . 0 0 "[ ]" 1
195 1 11 C H1' 1 21 G H1 3.900 . 6.000 4.926 4.926 4.926 . 0 0 "[ ]" 1
196 1 11 C H5 1 21 G H1 3.900 . 6.000 5.244 5.244 5.244 . 0 0 "[ ]" 1
197 1 11 C H6 1 21 G H1 3.900 . 6.000 5.622 5.622 5.622 . 0 0 "[ ]" 1
198 1 21 G H1 1 22 C H2' 4.400 . 7.000 8.648 8.648 8.648 1.648 1 1 [+] 1
199 1 21 G H1 1 22 C H5 4.400 . 7.000 6.214 6.214 6.214 . 0 0 "[ ]" 1
200 1 22 C H1' 1 22 C H5 3.900 . 6.000 5.423 5.423 5.423 . 0 0 "[ ]" 1
201 1 22 C H1' 1 22 C H6 3.400 . 5.000 3.701 3.701 3.701 . 0 0 "[ ]" 1
202 1 22 C H2' 1 22 C H6 2.900 . 4.000 3.184 3.184 3.184 . 0 0 "[ ]" 1
203 1 22 C H3' 1 22 C H6 3.900 . 6.000 3.056 3.056 3.056 . 0 0 "[ ]" 1
204 1 22 C H1' 1 23 C H6 3.900 . 6.000 5.524 5.524 5.524 . 0 0 "[ ]" 1
205 1 22 C H2' 1 23 C H6 2.900 . 4.000 2.906 2.906 2.906 . 0 0 "[ ]" 1
206 1 22 C H3' 1 23 C H6 2.900 . 4.000 3.806 3.806 3.806 . 0 0 "[ ]" 1
207 1 22 C Q5' 1 23 C H6 3.400 . 5.000 5.572 5.572 5.572 0.572 1 1 [+] 1
208 1 22 C H2' 1 23 C H1' 3.900 . 6.000 5.760 5.760 5.760 . 0 0 "[ ]" 1
209 1 22 C H42 1 23 C Q4 3.900 . 5.000 4.889 4.889 4.889 . 0 0 "[ ]" 1
210 1 23 C H1' 1 23 C H6 3.400 . 5.000 3.692 3.692 3.692 . 0 0 "[ ]" 1
211 1 23 C H2' 1 23 C H6 2.400 . 3.000 3.277 3.277 3.277 0.277 1 0 "[ ]" 1
212 1 23 C H3' 1 23 C H6 2.900 . 4.000 2.996 2.996 2.996 . 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 34
_Distance_constraint_stats_list.Viol_count 5
_Distance_constraint_stats_list.Viol_total 0.030
_Distance_constraint_stats_list.Viol_max 0.011
_Distance_constraint_stats_list.Viol_rms 0.0025
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0009
_Distance_constraint_stats_list.Viol_average_violations_only 0.0060
_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 8 G 0.003 0.003 1 0 "[ ]"
1 9 G 0.008 0.008 1 0 "[ ]"
1 10 C 0.011 0.011 1 0 "[ ]"
1 11 C 0.008 0.005 1 0 "[ ]"
1 12 C 0.000 0.000 . 0 "[ ]"
1 13 U 0.000 0.000 . 0 "[ ]"
1 18 A 0.000 0.000 . 0 "[ ]"
1 19 G 0.000 0.000 . 0 "[ ]"
1 20 G 0.008 0.005 1 0 "[ ]"
1 21 G 0.011 0.011 1 0 "[ ]"
1 22 C 0.008 0.008 1 0 "[ ]"
1 23 C 0.003 0.003 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 8 G O6 1 23 C Q4 2.000 . 2.500 2.460 2.460 2.460 . 0 0 "[ ]" 2
2 1 8 G O6 1 23 C N4 2.900 2.600 3.600 3.346 3.346 3.346 . 0 0 "[ ]" 2
3 1 8 G H1 1 23 C N3 2.000 . 2.500 2.493 2.493 2.493 . 0 0 "[ ]" 2
4 1 8 G N1 1 23 C N3 2.900 2.600 3.600 3.486 3.486 3.486 . 0 0 "[ ]" 2
5 1 8 G H21 1 23 C O2 2.000 . 2.500 2.503 2.503 2.503 0.003 1 0 "[ ]" 2
6 1 8 G N2 1 23 C O2 2.900 2.600 3.600 3.500 3.500 3.500 . 0 0 "[ ]" 2
7 1 9 G O6 1 22 C H41 2.000 . 2.500 2.462 2.462 2.462 . 0 0 "[ ]" 2
8 1 9 G O6 1 22 C N4 2.900 2.600 3.600 3.423 3.423 3.423 . 0 0 "[ ]" 2
9 1 9 G H1 1 22 C N3 2.000 . 2.500 2.491 2.491 2.491 . 0 0 "[ ]" 2
10 1 9 G N1 1 22 C N3 2.900 2.600 3.600 3.479 3.479 3.479 . 0 0 "[ ]" 2
11 1 9 G H21 1 22 C O2 2.000 . 2.500 2.508 2.508 2.508 0.008 1 0 "[ ]" 2
12 1 9 G N2 1 22 C O2 2.900 2.600 3.600 3.452 3.452 3.452 . 0 0 "[ ]" 2
13 1 10 C H41 1 21 G O6 2.000 . 2.500 2.334 2.334 2.334 . 0 0 "[ ]" 2
14 1 10 C N4 1 21 G O6 2.900 2.600 3.600 3.326 3.326 3.326 . 0 0 "[ ]" 2
15 1 10 C N3 1 21 G H1 2.000 . 2.500 2.494 2.494 2.494 . 0 0 "[ ]" 2
16 1 10 C N3 1 21 G N1 2.900 2.600 3.600 3.455 3.455 3.455 . 0 0 "[ ]" 2
17 1 10 C O2 1 21 G H21 2.000 . 2.500 2.511 2.511 2.511 0.011 1 0 "[ ]" 2
18 1 10 C O2 1 21 G N2 2.900 2.600 3.600 3.454 3.454 3.454 . 0 0 "[ ]" 2
19 1 11 C H41 1 20 G O6 2.000 . 2.500 2.504 2.504 2.504 0.004 1 0 "[ ]" 2
20 1 11 C N4 1 20 G O6 2.900 2.600 3.600 3.502 3.502 3.502 . 0 0 "[ ]" 2
21 1 11 C N3 1 20 G H1 2.000 . 2.500 2.505 2.505 2.505 0.005 1 0 "[ ]" 2
22 1 11 C N3 1 20 G N1 2.900 2.600 3.600 3.507 3.507 3.507 . 0 0 "[ ]" 2
23 1 11 C O2 1 20 G H21 2.000 . 2.500 2.447 2.447 2.447 . 0 0 "[ ]" 2
24 1 11 C O2 1 20 G N2 2.900 2.600 3.600 3.420 3.420 3.420 . 0 0 "[ ]" 2
25 1 12 C H41 1 19 G O6 2.000 . 2.500 2.310 2.310 2.310 . 0 0 "[ ]" 2
26 1 12 C N4 1 19 G O6 2.900 2.600 3.600 3.304 3.304 3.304 . 0 0 "[ ]" 2
27 1 12 C N3 1 19 G H1 2.000 . 2.500 2.404 2.404 2.404 . 0 0 "[ ]" 2
28 1 12 C N3 1 19 G N1 2.900 2.600 3.600 3.409 3.409 3.409 . 0 0 "[ ]" 2
29 1 12 C O2 1 19 G H21 2.000 . 2.500 2.478 2.478 2.478 . 0 0 "[ ]" 2
30 1 12 C O2 1 19 G N2 2.900 2.600 3.600 3.482 3.482 3.482 . 0 0 "[ ]" 2
31 1 13 U O4 1 18 A H61 2.000 . 2.500 2.458 2.458 2.458 . 0 0 "[ ]" 2
32 1 13 U O4 1 18 A N6 2.900 2.600 3.600 3.375 3.375 3.375 . 0 0 "[ ]" 2
33 1 13 U H3 1 18 A N1 2.000 . 2.500 2.260 2.260 2.260 . 0 0 "[ ]" 2
34 1 13 U N3 1 18 A N1 2.900 2.600 3.600 3.250 3.250 3.250 . 0 0 "[ ]" 2
stop_
save_
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