NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
370649 |
1bz2   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1bz2
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 24
_Distance_constraint_stats_list.Viol_count 14
_Distance_constraint_stats_list.Viol_total 0.399
_Distance_constraint_stats_list.Viol_max 0.062
_Distance_constraint_stats_list.Viol_rms 0.0204
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0166
_Distance_constraint_stats_list.Viol_average_violations_only 0.0285
_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 U 0.030 0.030 1 0 "[ ]"
1 2 C 0.202 0.062 1 0 "[ ]"
1 3 A 0.292 0.062 1 0 "[ ]"
1 4 G 0.021 0.021 1 0 "[ ]"
1 15 U 0.021 0.009 1 0 "[ ]"
1 16 G 0.026 0.026 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 2 C H1' 1 2 C H6 . 3.200 3.600 3.660 3.660 3.660 0.060 1 0 "[ ]" 1
2 1 2 C H3' 1 2 C H6 . 2.400 2.800 2.523 2.523 2.523 . 0 0 "[ ]" 1
3 1 1 U H3' 1 2 C H6 . 2.500 3.700 3.730 3.730 3.730 0.030 1 0 "[ ]" 1
4 1 1 U H2' 1 2 C H6 . . 3.500 2.467 2.467 2.467 . 0 0 "[ ]" 1
5 1 2 C H1' 1 2 C H2' . 2.500 2.900 2.788 2.788 2.788 . 0 0 "[ ]" 1
6 1 2 C H1' 1 2 C H4' . 2.600 3.000 3.017 3.017 3.017 0.017 1 0 "[ ]" 1
7 1 1 U H1' 1 2 C H6 . 4.500 19.000 5.057 5.057 5.057 . 0 0 "[ ]" 1
8 1 1 U H5 1 2 C H6 . 4.500 19.000 6.059 6.059 6.059 . 0 0 "[ ]" 1
9 1 3 A N1 1 15 U H3 . . 2.000 2.009 2.009 2.009 0.009 1 0 "[ ]" 1
10 1 3 A H61 1 15 U O4 . . 2.000 2.005 2.005 2.005 0.005 1 0 "[ ]" 1
11 1 3 A H2 1 15 U O2 . 2.600 3.000 3.007 3.007 3.007 0.007 1 0 "[ ]" 1
12 1 3 A H1' 1 3 A H8 . 3.300 3.700 3.740 3.740 3.740 0.040 1 0 "[ ]" 1
13 1 3 A H2 1 16 G H1' . 2.900 3.300 3.326 3.326 3.326 0.026 1 0 "[ ]" 1
14 1 3 A H2 1 4 G H1' . 2.800 3.200 3.221 3.221 3.221 0.021 1 0 "[ ]" 1
15 1 2 C H2' 1 3 A H8 . 2.300 2.700 2.500 2.500 2.500 . 0 0 "[ ]" 1
16 1 2 C H3' 1 3 A H8 . 3.000 3.400 3.433 3.433 3.433 0.033 1 0 "[ ]" 1
17 1 3 A H3' 1 3 A H8 . 2.800 3.200 2.847 2.847 2.847 . 0 0 "[ ]" 1
18 1 3 A H2' 1 3 A H8 . 3.100 3.500 3.542 3.542 3.542 0.042 1 0 "[ ]" 1
19 1 3 A H1' 1 3 A H2 . 4.000 5.000 4.710 4.710 4.710 . 0 0 "[ ]" 1
20 1 2 C H1' 1 3 A H8 . 4.500 19.000 5.175 5.175 5.175 . 0 0 "[ ]" 1
21 1 2 C H5 1 3 A H8 . 4.500 19.000 5.210 5.210 5.210 . 0 0 "[ ]" 1
22 1 2 C H2' 1 3 A H1' . 3.300 3.700 3.762 3.762 3.762 0.062 1 0 "[ ]" 1
23 1 3 A H1' 1 3 A H4' . 2.500 2.900 2.940 2.940 2.940 0.040 1 0 "[ ]" 1
24 1 3 A H1' 1 3 A H2' . 2.400 2.800 2.807 2.807 2.807 0.007 1 0 "[ ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 254
_Distance_constraint_stats_list.Viol_count 60
_Distance_constraint_stats_list.Viol_total 2.687
_Distance_constraint_stats_list.Viol_max 0.198
_Distance_constraint_stats_list.Viol_rms 0.0281
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0106
_Distance_constraint_stats_list.Viol_average_violations_only 0.0448
_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 U 0.025 0.025 1 0 "[ ]"
1 2 C 0.011 0.011 1 0 "[ ]"
1 3 A 0.006 0.006 1 0 "[ ]"
1 4 G 0.064 0.041 1 0 "[ ]"
1 5 A 0.387 0.092 1 0 "[ ]"
1 6 C 0.409 0.092 1 0 "[ ]"
1 7 U 0.228 0.056 1 0 "[ ]"
1 8 U 0.184 0.083 1 0 "[ ]"
1 9 U 0.152 0.107 1 0 "[ ]"
1 10 U 0.088 0.062 1 0 "[ ]"
1 11 A 0.817 0.198 1 0 "[ ]"
1 12 A 0.635 0.175 1 0 "[ ]"
1 13 U 0.223 0.074 1 0 "[ ]"
1 14 C 0.235 0.092 1 0 "[ ]"
1 15 U 0.194 0.092 1 0 "[ ]"
1 16 G 0.065 0.034 1 0 "[ ]"
1 17 A 0.286 0.092 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 4 G H1' 1 4 G H8 . 3.400 3.800 3.807 3.807 3.807 0.007 1 0 "[ ]" 2
2 1 4 G H3' 1 4 G H8 . 2.800 3.200 2.789 2.789 2.789 0.011 1 0 "[ ]" 2
3 1 3 A H2' 1 4 G H8 . 2.400 2.800 2.475 2.475 2.475 . 0 0 "[ ]" 2
4 1 3 A H3' 1 4 G H8 . 3.200 3.600 3.606 3.606 3.606 0.006 1 0 "[ ]" 2
5 1 3 A H1' 1 4 G H8 . 4.500 19.000 5.222 5.222 5.222 . 0 0 "[ ]" 2
6 1 4 G H1' 1 4 G H2' . 2.500 2.900 2.729 2.729 2.729 . 0 0 "[ ]" 2
7 1 5 A N1 1 13 U H3 . . 2.000 1.966 1.966 1.966 . 0 0 "[ ]" 2
8 1 5 A H61 1 13 U O4 . . 2.000 2.007 2.007 2.007 0.007 1 0 "[ ]" 2
9 1 5 A H2 1 13 U O2 . 2.600 3.000 3.013 3.013 3.013 0.013 1 0 "[ ]" 2
10 1 4 G H3' 1 5 A H8 . 3.000 3.400 3.441 3.441 3.441 0.041 1 0 "[ ]" 2
11 1 5 A H1' 1 5 A H8 . 3.300 3.700 3.734 3.734 3.734 0.034 1 0 "[ ]" 2
12 1 5 A H2' 1 5 A H8 . 3.300 3.700 3.768 3.768 3.768 0.068 1 0 "[ ]" 2
13 1 5 A H2 1 6 C H1' . 2.800 3.200 3.205 3.205 3.205 0.005 1 0 "[ ]" 2
14 1 5 A H2 1 14 C H1' . 2.800 3.200 2.951 2.951 2.951 . 0 0 "[ ]" 2
15 1 5 A H8 1 6 C H5 . 3.200 3.600 3.444 3.444 3.444 . 0 0 "[ ]" 2
16 1 4 G H1' 1 5 A H8 . 4.500 19.000 4.997 4.997 4.997 . 0 0 "[ ]" 2
17 1 5 A H1' 1 5 A H2' . 2.400 2.800 2.724 2.724 2.724 . 0 0 "[ ]" 2
18 1 5 A H2' 1 6 C H6 . 2.600 3.000 2.567 2.567 2.567 0.033 1 0 "[ ]" 2
19 1 5 A H3' 1 6 C H6 . 2.500 2.900 2.992 2.992 2.992 0.092 1 0 "[ ]" 2
20 1 6 C H6 1 7 U H5 . 4.000 4.400 3.996 3.996 3.996 0.004 1 0 "[ ]" 2
21 1 6 C H2' 1 6 C H6 . 2.900 3.300 3.377 3.377 3.377 0.077 1 0 "[ ]" 2
22 1 5 A H1' 1 6 C H6 . 4.500 19.000 5.016 5.016 5.016 . 0 0 "[ ]" 2
23 1 5 A H3' 1 6 C H5 . 3.100 3.500 3.520 3.520 3.520 0.020 1 0 "[ ]" 2
24 1 5 A H2' 1 6 C H1' . 4.500 4.900 4.427 4.427 4.427 0.073 1 0 "[ ]" 2
25 1 6 C H2' 1 7 U H6 . 3.000 3.400 3.209 3.209 3.209 . 0 0 "[ ]" 2
26 1 6 C H1' 1 7 U H6 . 4.500 19.000 5.863 5.863 5.863 . 0 0 "[ ]" 2
27 1 6 C H5 1 7 U H6 . 4.500 19.000 4.984 4.984 4.984 . 0 0 "[ ]" 2
28 1 6 C H6 1 7 U H6 . 4.500 19.000 4.656 4.656 4.656 . 0 0 "[ ]" 2
29 1 7 U H1' 1 8 U H2' . 4.500 19.000 5.003 5.003 5.003 . 0 0 "[ ]" 2
30 1 7 U H1' 1 9 U H5' . 4.500 19.000 7.094 7.094 7.094 . 0 0 "[ ]" 2
31 1 7 U H1' 1 9 U H5'' . 4.500 19.000 8.318 8.318 8.318 . 0 0 "[ ]" 2
32 1 7 U H2' 1 9 U H5' . 4.500 19.000 6.477 6.477 6.477 . 0 0 "[ ]" 2
33 1 7 U H2' 1 9 U H5'' . 4.500 19.000 7.226 7.226 7.226 . 0 0 "[ ]" 2
34 1 7 U H2' 1 8 U H5' . 3.000 19.000 5.107 5.107 5.107 . 0 0 "[ ]" 2
35 1 7 U H2' 1 8 U H5'' . 3.000 19.000 5.452 5.452 5.452 . 0 0 "[ ]" 2
36 1 7 U H5 1 9 U H5' . 4.500 19.000 9.913 9.913 9.913 . 0 0 "[ ]" 2
37 1 7 U H5 1 9 U H5'' . 4.500 19.000 10.843 10.843 10.843 . 0 0 "[ ]" 2
38 1 6 C H2' 1 7 U H5 . 4.500 19.000 4.450 4.450 4.450 0.050 1 0 "[ ]" 2
39 1 6 C H1' 1 7 U H5 . 3.500 19.000 6.588 6.588 6.588 . 0 0 "[ ]" 2
40 1 6 C H4' 1 7 U H5 . 3.500 19.000 6.960 6.960 6.960 . 0 0 "[ ]" 2
41 1 6 C H2' 1 7 U H1' . 4.000 5.000 4.083 4.083 4.083 . 0 0 "[ ]" 2
42 1 7 U H2' 1 7 U H6 . 2.700 3.100 2.936 2.936 2.936 . 0 0 "[ ]" 2
43 1 6 C H3' 1 7 U H6 . 2.800 3.700 3.496 3.496 3.496 . 0 0 "[ ]" 2
44 1 7 U H6 1 8 U H5 . 4.500 19.000 7.305 7.305 7.305 . 0 0 "[ ]" 2
45 1 6 C H3' 1 7 U H5 . 3.500 3.900 3.954 3.954 3.954 0.054 1 0 "[ ]" 2
46 1 8 U H2' 1 8 U H6 . 2.300 2.700 2.495 2.495 2.495 . 0 0 "[ ]" 2
47 1 8 U H3' 1 8 U H6 . 2.500 2.900 2.983 2.983 2.983 0.083 1 0 "[ ]" 2
48 1 7 U H2' 1 8 U H6 . 3.000 4.500 4.556 4.556 4.556 0.056 1 0 "[ ]" 2
49 1 7 U H4' 1 8 U H6 . 3.000 4.000 4.010 4.010 4.010 0.010 1 0 "[ ]" 2
50 1 7 U H5 1 8 U H6 . 4.500 19.000 8.831 8.831 8.831 . 0 0 "[ ]" 2
51 1 7 U H2' 1 8 U H1' . 4.500 19.000 7.338 7.338 7.338 . 0 0 "[ ]" 2
52 1 7 U H3' 1 8 U H6 . 4.000 19.000 5.445 5.445 5.445 . 0 0 "[ ]" 2
53 1 7 U H4' 1 8 U H5 . 3.000 19.000 3.738 3.738 3.738 . 0 0 "[ ]" 2
54 1 7 U H2' 1 8 U H5 . 4.000 19.000 5.838 5.838 5.838 . 0 0 "[ ]" 2
55 1 7 U H5' 1 8 U H5 . 4.500 19.000 5.832 5.832 5.832 . 0 0 "[ ]" 2
56 1 7 U H5'' 1 8 U H5 . 4.500 19.000 6.155 6.155 6.155 . 0 0 "[ ]" 2
57 1 8 U H1' 1 9 U H5' . 4.500 19.000 5.376 5.376 5.376 . 0 0 "[ ]" 2
58 1 8 U H1' 1 9 U H5'' . 4.500 19.000 5.323 5.323 5.323 . 0 0 "[ ]" 2
59 1 8 U H1' 1 9 U H4' . 4.500 19.000 7.701 7.701 7.701 . 0 0 "[ ]" 2
60 1 8 U H1' 1 12 A H4' . 4.500 19.000 11.517 11.517 11.517 . 0 0 "[ ]" 2
61 1 8 U H4' 1 9 U H5' . 4.500 19.000 5.750 5.750 5.750 . 0 0 "[ ]" 2
62 1 8 U H4' 1 9 U H5'' . 4.500 19.000 5.223 5.223 5.223 . 0 0 "[ ]" 2
63 1 8 U H4' 1 9 U H1' . 3.500 19.000 9.246 9.246 9.246 . 0 0 "[ ]" 2
64 1 8 U H4' 1 9 U H4' . 4.500 19.000 7.443 7.443 7.443 . 0 0 "[ ]" 2
65 1 7 U H1' 1 8 U H6 . 3.000 4.500 3.952 3.952 3.952 . 0 0 "[ ]" 2
66 1 7 U H1' 1 8 U H5 . 4.000 19.000 3.986 3.986 3.986 0.014 1 0 "[ ]" 2
67 1 8 U H6 1 9 U H5 . 4.500 19.000 10.379 10.379 10.379 . 0 0 "[ ]" 2
68 1 8 U H6 1 10 U H5 . 4.500 19.000 10.242 10.242 10.242 . 0 0 "[ ]" 2
69 1 8 U H5 1 10 U H6 . 4.500 19.000 11.855 11.855 11.855 . 0 0 "[ ]" 2
70 1 7 U H3' 1 8 U H1' . 4.500 19.000 8.469 8.469 8.469 . 0 0 "[ ]" 2
71 1 8 U H1' 1 9 U H3' . 4.500 19.000 7.124 7.124 7.124 . 0 0 "[ ]" 2
72 1 8 U H1' 1 9 U H2' . 4.500 19.000 8.652 8.652 8.652 . 0 0 "[ ]" 2
73 1 8 U H5 1 12 A H1' . 4.500 19.000 5.967 5.967 5.967 . 0 0 "[ ]" 2
74 1 8 U H5 1 11 A H2' . 4.500 19.000 8.910 8.910 8.910 . 0 0 "[ ]" 2
75 1 8 U H6 1 12 A H2 . 4.000 19.000 6.356 6.356 6.356 . 0 0 "[ ]" 2
76 1 8 U H5 1 12 A H2 . 4.500 19.000 4.577 4.577 4.577 . 0 0 "[ ]" 2
77 1 8 U H3' 1 9 U H5' . 4.000 19.000 3.986 3.986 3.986 0.014 1 0 "[ ]" 2
78 1 8 U H3' 1 9 U H5'' . 4.000 19.000 4.295 4.295 4.295 . 0 0 "[ ]" 2
79 1 9 U H2' 1 9 U H6 . 2.300 2.700 2.463 2.463 2.463 . 0 0 "[ ]" 2
80 1 9 U H3' 1 9 U H6 . 2.600 3.000 3.107 3.107 3.107 0.107 1 0 "[ ]" 2
81 1 9 U H6 1 12 A H1' . 4.500 19.000 13.433 13.433 13.433 . 0 0 "[ ]" 2
82 1 9 U H5 1 12 A H1' . 4.500 19.000 15.414 15.414 15.414 . 0 0 "[ ]" 2
83 1 7 U H1' 1 9 U H5 . 4.500 19.000 12.470 12.470 12.470 . 0 0 "[ ]" 2
84 1 7 U H2' 1 9 U H5 . 4.500 19.000 10.815 10.815 10.815 . 0 0 "[ ]" 2
85 1 7 U H4' 1 9 U H5 . 4.500 19.000 13.425 13.425 13.425 . 0 0 "[ ]" 2
86 1 7 U H3' 1 9 U H5 . 4.500 19.000 12.498 12.498 12.498 . 0 0 "[ ]" 2
87 1 8 U H3' 1 9 U H5 . 4.500 19.000 7.863 7.863 7.863 . 0 0 "[ ]" 2
88 1 8 U H1' 1 9 U H5 . 4.500 19.000 8.056 8.056 8.056 . 0 0 "[ ]" 2
89 1 9 U H2' 1 9 U H5 . 4.500 19.000 4.469 4.469 4.469 0.031 1 0 "[ ]" 2
90 1 8 U H4' 1 9 U H6 . 4.500 19.000 6.851 6.851 6.851 . 0 0 "[ ]" 2
91 1 8 U H4' 1 9 U H5 . 4.500 19.000 7.270 7.270 7.270 . 0 0 "[ ]" 2
92 1 8 U H2' 1 9 U H1' . 4.500 19.000 8.279 8.279 8.279 . 0 0 "[ ]" 2
93 1 7 U H2' 1 9 U H6 . 3.500 19.000 9.342 9.342 9.342 . 0 0 "[ ]" 2
94 1 7 U H3' 1 9 U H6 . 3.500 19.000 11.299 11.299 11.299 . 0 0 "[ ]" 2
95 1 8 U H5 1 9 U H6 . 4.500 19.000 11.234 11.234 11.234 . 0 0 "[ ]" 2
96 1 8 U H2' 1 9 U H6 . 4.500 19.000 6.788 6.788 6.788 . 0 0 "[ ]" 2
97 1 8 U H2' 1 9 U H5 . 3.500 19.000 8.361 8.361 8.361 . 0 0 "[ ]" 2
98 1 8 U H5' 1 9 U H6 . 4.500 19.000 9.227 9.227 9.227 . 0 0 "[ ]" 2
99 1 8 U H5'' 1 9 U H6 . 4.500 19.000 8.292 8.292 8.292 . 0 0 "[ ]" 2
100 1 9 U H4' 1 10 U H5' . 4.500 19.000 5.616 5.616 5.616 . 0 0 "[ ]" 2
101 1 9 U H4' 1 10 U H5'' . 4.500 19.000 5.730 5.730 5.730 . 0 0 "[ ]" 2
102 1 9 U H3' 1 12 A H5' . 4.500 19.000 11.425 11.425 11.425 . 0 0 "[ ]" 2
103 1 9 U H3' 1 12 A H5'' . 4.500 19.000 13.073 13.073 13.073 . 0 0 "[ ]" 2
104 1 9 U H1' 1 10 U H5' . 4.500 19.000 5.128 5.128 5.128 . 0 0 "[ ]" 2
105 1 9 U H1' 1 10 U H5'' . 4.500 19.000 5.997 5.997 5.997 . 0 0 "[ ]" 2
106 1 8 U H5' 1 9 U H5 . 4.500 19.000 9.847 9.847 9.847 . 0 0 "[ ]" 2
107 1 8 U H5'' 1 9 U H5 . 4.500 19.000 8.631 8.631 8.631 . 0 0 "[ ]" 2
108 1 8 U H3' 1 9 U H6 . 4.500 19.000 6.555 6.555 6.555 . 0 0 "[ ]" 2
109 1 10 U H2' 1 10 U H6 . 2.500 2.900 2.507 2.507 2.507 . 0 0 "[ ]" 2
110 1 10 U H3' 1 10 U H6 . 2.600 3.000 3.062 3.062 3.062 0.062 1 0 "[ ]" 2
111 1 9 U H5' 1 10 U H6 . 4.500 19.000 6.062 6.062 6.062 . 0 0 "[ ]" 2
112 1 9 U H5'' 1 10 U H6 . 4.500 19.000 6.548 6.548 6.548 . 0 0 "[ ]" 2
113 1 9 U H5' 1 10 U H1' . 4.500 19.000 9.348 9.348 9.348 . 0 0 "[ ]" 2
114 1 9 U H5'' 1 10 U H1' . 4.500 19.000 9.767 9.767 9.767 . 0 0 "[ ]" 2
115 1 10 U H4' 1 11 A H5' . 3.500 19.000 5.007 5.007 5.007 . 0 0 "[ ]" 2
116 1 10 U H4' 1 11 A H5'' . 3.500 19.000 6.197 6.197 6.197 . 0 0 "[ ]" 2
117 1 9 U H3' 1 10 U H6 . 3.500 19.000 4.375 4.375 4.375 . 0 0 "[ ]" 2
118 1 10 U H6 1 11 A H1' . 4.500 19.000 5.486 5.486 5.486 . 0 0 "[ ]" 2
119 1 10 U H5 1 11 A H1' . 4.500 19.000 6.112 6.112 6.112 . 0 0 "[ ]" 2
120 1 10 U H1' 1 11 A H1' . 4.500 19.000 7.933 7.933 7.933 . 0 0 "[ ]" 2
121 1 10 U H1' 1 11 A H3' . 4.500 19.000 8.237 8.237 8.237 . 0 0 "[ ]" 2
122 1 9 U H2' 1 10 U H6 . 3.500 19.000 5.101 5.101 5.101 . 0 0 "[ ]" 2
123 1 7 U H2' 1 10 U H6 . 3.500 19.000 12.220 12.220 12.220 . 0 0 "[ ]" 2
124 1 9 U H1' 1 10 U H6 . 3.500 19.000 7.518 7.518 7.518 . 0 0 "[ ]" 2
125 1 9 U H4' 1 10 U H6 . 3.500 19.000 6.884 6.884 6.884 . 0 0 "[ ]" 2
126 1 9 U H1' 1 10 U H1' . 3.500 19.000 9.296 9.296 9.296 . 0 0 "[ ]" 2
127 1 9 U H2' 1 10 U H1' . 4.000 19.000 7.256 7.256 7.256 . 0 0 "[ ]" 2
128 1 9 U H4' 1 10 U H1' . 4.000 19.000 9.468 9.468 9.468 . 0 0 "[ ]" 2
129 1 9 U H5 1 10 U H5 . 3.500 19.000 7.945 7.945 7.945 . 0 0 "[ ]" 2
130 1 9 U H6 1 10 U H5 . 3.500 19.000 6.538 6.538 6.538 . 0 0 "[ ]" 2
131 1 9 U H1' 1 10 U H5 . 3.500 19.000 8.386 8.386 8.386 . 0 0 "[ ]" 2
132 1 9 U H2' 1 10 U H5 . 4.500 19.000 5.565 5.565 5.565 . 0 0 "[ ]" 2
133 1 9 U H3' 1 10 U H5 . 3.500 19.000 4.869 4.869 4.869 . 0 0 "[ ]" 2
134 1 10 U H2' 1 11 A H8 . 3.500 4.500 4.506 4.506 4.506 0.006 1 0 "[ ]" 2
135 1 11 A H1' 1 11 A H8 . 3.000 3.400 3.598 3.598 3.598 0.198 1 0 "[ ]" 2
136 1 11 A H2 1 12 A H1' . 2.900 3.300 3.323 3.323 3.323 0.023 1 0 "[ ]" 2
137 1 11 A H2' 1 11 A H8 . 2.900 3.300 2.856 2.856 2.856 0.044 1 0 "[ ]" 2
138 1 11 A H3' 1 11 A H8 . 3.000 3.400 3.521 3.521 3.521 0.121 1 0 "[ ]" 2
139 1 10 U H4' 1 11 A H8 . 4.500 19.000 5.659 5.659 5.659 . 0 0 "[ ]" 2
140 1 10 U H3' 1 11 A H8 . 3.000 3.500 2.982 2.982 2.982 0.018 1 0 "[ ]" 2
141 1 11 A H1' 1 11 A H2' . 2.700 3.100 2.853 2.853 2.853 . 0 0 "[ ]" 2
142 1 11 A H1' 1 11 A H4' . 2.800 3.200 2.958 2.958 2.958 . 0 0 "[ ]" 2
143 1 10 U H1' 1 11 A H8 . 3.900 19.000 6.816 6.816 6.816 . 0 0 "[ ]" 2
144 1 10 U H5' 1 11 A H8 . 4.100 19.000 5.426 5.426 5.426 . 0 0 "[ ]" 2
145 1 10 U H5'' 1 11 A H8 . 4.100 19.000 4.097 4.097 4.097 0.003 1 0 "[ ]" 2
146 1 10 U H5' 1 11 A H5' . 4.500 19.000 6.477 6.477 6.477 . 0 0 "[ ]" 2
147 1 10 U H5'' 1 11 A H5'' . 4.500 19.000 6.307 6.307 6.307 . 0 0 "[ ]" 2
148 1 10 U H5' 1 11 A H1' . 3.500 19.000 8.110 8.110 8.110 . 0 0 "[ ]" 2
149 1 10 U H5'' 1 11 A H1' . 3.500 19.000 7.171 7.171 7.171 . 0 0 "[ ]" 2
150 1 9 U H5' 1 11 A H1' . 3.500 19.000 6.945 6.945 6.945 . 0 0 "[ ]" 2
151 1 9 U H5'' 1 11 A H1' . 3.500 19.000 8.355 8.355 8.355 . 0 0 "[ ]" 2
152 1 10 U H5'' 1 11 A H5' . 4.500 19.000 5.421 5.421 5.421 . 0 0 "[ ]" 2
153 1 10 U H5' 1 11 A H5'' . 4.500 19.000 7.651 7.651 7.651 . 0 0 "[ ]" 2
154 1 9 U H5' 1 11 A H8 . 4.500 19.000 5.736 5.736 5.736 . 0 0 "[ ]" 2
155 1 9 U H5'' 1 11 A H8 . 4.500 19.000 7.263 7.263 7.263 . 0 0 "[ ]" 2
156 1 9 U H5' 1 11 A H2 . 4.500 19.000 6.500 6.500 6.500 . 0 0 "[ ]" 2
157 1 9 U H5'' 1 11 A H2 . 4.500 19.000 7.937 7.937 7.937 . 0 0 "[ ]" 2
158 1 8 U H5' 1 11 A H2 . 4.500 19.000 7.975 7.975 7.975 . 0 0 "[ ]" 2
159 1 8 U H5'' 1 11 A H2 . 4.500 19.000 9.129 9.129 9.129 . 0 0 "[ ]" 2
160 1 11 A H2 1 12 A H2 . 4.500 19.000 4.884 4.884 4.884 . 0 0 "[ ]" 2
161 1 7 U H1' 1 11 A H2 . 4.400 19.000 5.467 5.467 5.467 . 0 0 "[ ]" 2
162 1 7 U H2' 1 11 A H8 . 4.500 19.000 9.777 9.777 9.777 . 0 0 "[ ]" 2
163 1 8 U H1' 1 11 A H2 . 4.500 19.000 6.140 6.140 6.140 . 0 0 "[ ]" 2
164 1 8 U H1' 1 11 A H8 . 4.500 19.000 9.532 9.532 9.532 . 0 0 "[ ]" 2
165 1 8 U H4' 1 11 A H2 . 4.500 19.000 8.076 8.076 8.076 . 0 0 "[ ]" 2
166 1 8 U H6 1 11 A H2 . 4.500 19.000 4.659 4.659 4.659 . 0 0 "[ ]" 2
167 1 8 U H5 1 11 A H2 . 4.000 19.000 3.996 3.996 3.996 0.004 1 0 "[ ]" 2
168 1 8 U H2' 1 11 A H2 . 4.500 19.000 4.497 4.497 4.497 0.003 1 0 "[ ]" 2
169 1 7 U H2' 1 11 A H2 . 4.500 19.000 7.515 7.515 7.515 . 0 0 "[ ]" 2
170 1 7 U H4' 1 11 A H2 . 4.500 19.000 7.000 7.000 7.000 . 0 0 "[ ]" 2
171 1 8 U H3' 1 11 A H2 . 4.500 19.000 6.389 6.389 6.389 . 0 0 "[ ]" 2
172 1 11 A H2 1 12 A H4' . 4.500 19.000 5.980 5.980 5.980 . 0 0 "[ ]" 2
173 1 11 A H2 1 12 A H2' . 4.500 19.000 5.805 5.805 5.805 . 0 0 "[ ]" 2
174 1 11 A H2 1 12 A H3' . 4.500 19.000 6.797 6.797 6.797 . 0 0 "[ ]" 2
175 1 11 A H2 1 12 A H5' . 4.500 19.000 6.409 6.409 6.409 . 0 0 "[ ]" 2
176 1 11 A H2 1 12 A H5'' . 4.500 19.000 7.639 7.639 7.639 . 0 0 "[ ]" 2
177 1 9 U H2' 1 11 A H2 . 4.500 19.000 10.379 10.379 10.379 . 0 0 "[ ]" 2
178 1 9 U H3' 1 11 A H2 . 4.500 19.000 8.221 8.221 8.221 . 0 0 "[ ]" 2
179 1 11 A H2 1 13 U H5 . 4.500 19.000 8.350 8.350 8.350 . 0 0 "[ ]" 2
180 1 11 A H2 1 13 U H6 . 4.500 19.000 7.805 7.805 7.805 . 0 0 "[ ]" 2
181 1 11 A H2 1 13 U H1' . 4.500 19.000 7.280 7.280 7.280 . 0 0 "[ ]" 2
182 1 9 U H2' 1 11 A H8 . 4.500 19.000 7.270 7.270 7.270 . 0 0 "[ ]" 2
183 1 9 U H4' 1 11 A H8 . 4.500 19.000 6.104 6.104 6.104 . 0 0 "[ ]" 2
184 1 9 U H1' 1 11 A H8 . 4.500 19.000 8.067 8.067 8.067 . 0 0 "[ ]" 2
185 1 9 U H2' 1 11 A H1' . 4.500 19.000 9.094 9.094 9.094 . 0 0 "[ ]" 2
186 1 9 U H5 1 11 A H1' . 4.500 19.000 12.147 12.147 12.147 . 0 0 "[ ]" 2
187 1 9 U H5 1 11 A H2 . 4.500 19.000 12.201 12.201 12.201 . 0 0 "[ ]" 2
188 1 7 U H6 1 11 A H2 . 4.500 19.000 9.168 9.168 9.168 . 0 0 "[ ]" 2
189 1 10 U H5 1 11 A H2 . 4.500 19.000 8.726 8.726 8.726 . 0 0 "[ ]" 2
190 1 10 U H6 1 11 A H2 . 4.500 19.000 8.773 8.773 8.773 . 0 0 "[ ]" 2
191 1 10 U H6 1 11 A H8 . 4.500 19.000 4.872 4.872 4.872 . 0 0 "[ ]" 2
192 1 10 U H5 1 11 A H8 . 4.500 19.000 6.578 6.578 6.578 . 0 0 "[ ]" 2
193 1 11 A H1' 1 12 A H1' . 4.500 19.000 5.504 5.504 5.504 . 0 0 "[ ]" 2
194 1 10 U H4' 1 11 A H1' . 3.500 19.000 7.997 7.997 7.997 . 0 0 "[ ]" 2
195 1 11 A H1' 1 12 A H8 . 3.300 4.700 4.784 4.784 4.784 0.084 1 0 "[ ]" 2
196 1 12 A H1' 1 12 A H8 . 3.600 4.000 3.887 3.887 3.887 . 0 0 "[ ]" 2
197 1 12 A H2 1 13 U H1' . 2.700 3.100 3.141 3.141 3.141 0.041 1 0 "[ ]" 2
198 1 7 U H1' 1 12 A H2 . 3.900 4.300 4.339 4.339 4.339 0.039 1 0 "[ ]" 2
199 1 11 A H2' 1 12 A H8 . 3.000 3.400 2.825 2.825 2.825 0.175 1 0 "[ ]" 2
200 1 12 A H3' 1 12 A H8 . 2.800 3.200 2.799 2.799 2.799 0.001 1 0 "[ ]" 2
201 1 11 A H3' 1 12 A H8 . 3.100 3.500 3.640 3.640 3.640 0.140 1 0 "[ ]" 2
202 1 11 A H4' 1 12 A H8 . 4.500 19.000 5.604 5.604 5.604 . 0 0 "[ ]" 2
203 1 11 A H2 1 12 A H8 . 4.500 19.000 5.478 5.478 5.478 . 0 0 "[ ]" 2
204 1 12 A H8 1 13 U H5 . 3.800 4.200 4.185 4.185 4.185 . 0 0 "[ ]" 2
205 1 6 C H1' 1 12 A H2 . 4.500 19.000 5.189 5.189 5.189 . 0 0 "[ ]" 2
206 1 6 C H2' 1 12 A H2 . 4.500 19.000 5.415 5.415 5.415 . 0 0 "[ ]" 2
207 1 12 A H1' 1 12 A H2 . 3.900 4.300 4.387 4.387 4.387 0.087 1 0 "[ ]" 2
208 1 7 U H2' 1 12 A H2 . 4.500 19.000 7.267 7.267 7.267 . 0 0 "[ ]" 2
209 1 7 U H5 1 12 A H2 . 4.500 19.000 8.587 8.587 8.587 . 0 0 "[ ]" 2
210 1 13 U H6 1 14 C H5 . 4.500 19.000 4.533 4.533 4.533 . 0 0 "[ ]" 2
211 1 12 A H3' 1 13 U H6 . 3.000 3.400 3.448 3.448 3.448 0.048 1 0 "[ ]" 2
212 1 12 A H1' 1 13 U H6 . 4.500 19.000 5.073 5.073 5.073 . 0 0 "[ ]" 2
213 1 13 U H1' 1 13 U H6 . 3.500 3.900 3.705 3.705 3.705 . 0 0 "[ ]" 2
214 1 13 U H2' 1 13 U H6 . 3.100 3.500 3.522 3.522 3.522 0.022 1 0 "[ ]" 2
215 1 13 U H1' 1 13 U H2' . 3.000 3.400 2.926 2.926 2.926 0.074 1 0 "[ ]" 2
216 1 13 U H2' 1 14 C H6 . 2.400 2.800 2.511 2.511 2.511 . 0 0 "[ ]" 2
217 1 13 U H3' 1 14 C H6 . 2.500 3.700 3.717 3.717 3.717 0.017 1 0 "[ ]" 2
218 1 14 C H1' 1 14 C H6 . 3.600 4.000 3.694 3.694 3.694 . 0 0 "[ ]" 2
219 1 14 C H2' 1 14 C H6 . 3.000 3.400 3.453 3.453 3.453 0.053 1 0 "[ ]" 2
220 1 14 C H3' 1 14 C H6 . 2.800 3.200 2.773 2.773 2.773 0.027 1 0 "[ ]" 2
221 1 14 C H6 1 15 U H5 . 3.900 4.300 3.896 3.896 3.896 0.004 1 0 "[ ]" 2
222 1 13 U H1' 1 14 C H6 . 4.500 19.000 5.381 5.381 5.381 . 0 0 "[ ]" 2
223 1 13 U H5 1 14 C H6 . 4.500 19.000 5.612 5.612 5.612 . 0 0 "[ ]" 2
224 1 13 U H2' 1 14 C H1' . 4.000 5.000 3.999 3.999 3.999 0.001 1 0 "[ ]" 2
225 1 14 C H1' 1 14 C H2' . 2.500 2.900 2.794 2.794 2.794 . 0 0 "[ ]" 2
226 1 14 C H1' 1 14 C H4' . 2.700 3.100 3.034 3.034 3.034 . 0 0 "[ ]" 2
227 1 15 U H1' 1 15 U H6 . 3.600 4.000 3.753 3.753 3.753 . 0 0 "[ ]" 2
228 1 15 U H2' 1 15 U H6 . 3.000 3.400 3.434 3.434 3.434 0.034 1 0 "[ ]" 2
229 1 15 U H3' 1 15 U H6 . 2.600 3.000 2.628 2.628 2.628 . 0 0 "[ ]" 2
230 1 14 C H2' 1 15 U H6 . 2.300 2.700 2.478 2.478 2.478 . 0 0 "[ ]" 2
231 1 14 C H3' 1 15 U H6 . 2.800 3.200 3.292 3.292 3.292 0.092 1 0 "[ ]" 2
232 1 14 C H1' 1 15 U H6 . 4.500 19.000 5.196 5.196 5.196 . 0 0 "[ ]" 2
233 1 14 C H5 1 15 U H6 . 4.500 19.000 5.135 5.135 5.135 . 0 0 "[ ]" 2
234 1 14 C H2' 1 15 U H1' . 4.500 5.000 4.458 4.458 4.458 0.042 1 0 "[ ]" 2
235 1 15 U H1' 1 15 U H2' . 2.600 3.000 2.780 2.780 2.780 . 0 0 "[ ]" 2
236 1 15 U H1' 1 15 U H4' . 2.700 3.100 3.011 3.011 3.011 . 0 0 "[ ]" 2
237 1 16 G H1' 1 16 G H8 . 3.900 4.300 3.892 3.892 3.892 0.008 1 0 "[ ]" 2
238 1 16 G H1' 1 16 G H2' . 2.400 2.800 2.775 2.775 2.775 . 0 0 "[ ]" 2
239 1 15 U H2' 1 16 G H1' . 3.500 4.500 4.030 4.030 4.030 . 0 0 "[ ]" 2
240 1 15 U H1' 1 16 G H8 . 4.500 19.000 5.208 5.208 5.208 . 0 0 "[ ]" 2
241 1 15 U H2' 1 16 G H8 . 2.300 2.700 2.491 2.491 2.491 . 0 0 "[ ]" 2
242 1 15 U H3' 1 16 G H8 . 2.500 3.700 3.722 3.722 3.722 0.022 1 0 "[ ]" 2
243 1 15 U H5 1 16 G H8 . 4.500 19.000 5.689 5.689 5.689 . 0 0 "[ ]" 2
244 1 17 A H1' 1 17 A H8 . 3.300 3.700 3.772 3.772 3.772 0.072 1 0 "[ ]" 2
245 1 17 A H2' 1 17 A H8 . 2.800 3.200 3.251 3.251 3.251 0.051 1 0 "[ ]" 2
246 1 17 A H1' 1 17 A H2' . 2.500 2.900 2.796 2.796 2.796 . 0 0 "[ ]" 2
247 1 16 G H2' 1 17 A H8 . 2.500 2.900 2.546 2.546 2.546 . 0 0 "[ ]" 2
248 1 16 G H3' 1 17 A H8 . 3.300 3.700 3.734 3.734 3.734 0.034 1 0 "[ ]" 2
249 1 2 C H1' 1 17 A H2 . 2.500 2.900 2.911 2.911 2.911 0.011 1 0 "[ ]" 2
250 1 1 U H1' 1 17 A H2 . 4.400 4.800 4.825 4.825 4.825 0.025 1 0 "[ ]" 2
251 1 16 G H1' 1 17 A H8 . 4.500 19.000 5.094 5.094 5.094 . 0 0 "[ ]" 2
252 1 16 G H2' 1 17 A H1' . 4.000 5.000 4.539 4.539 4.539 . 0 0 "[ ]" 2
253 1 16 G O6 1 17 A N6 . . 5.000 2.965 2.965 2.965 . 0 0 "[ ]" 2
254 1 17 A H1' 1 17 A H2 . 3.900 4.300 4.392 4.392 4.392 0.092 1 0 "[ ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 9
_Distance_constraint_stats_list.Viol_count 3
_Distance_constraint_stats_list.Viol_total 0.035
_Distance_constraint_stats_list.Viol_max 0.019
_Distance_constraint_stats_list.Viol_rms 0.0067
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0038
_Distance_constraint_stats_list.Viol_average_violations_only 0.0115
_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 U 0.019 0.019 1 0 "[ ]"
1 2 C 0.016 0.008 1 0 "[ ]"
1 16 G 0.016 0.008 1 0 "[ ]"
1 17 A 0.019 0.019 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 1 U H3 1 17 A N1 . . 2.000 1.931 1.931 1.931 . 0 0 "[ ]" 3
2 1 1 U O4 1 17 A H61 . . 2.000 2.019 2.019 2.019 0.019 1 0 "[ ]" 3
3 1 1 U O2 1 17 A H2 . 2.600 3.000 2.659 2.659 2.659 . 0 0 "[ ]" 3
4 1 1 U H1' 1 1 U H6 . 3.500 3.900 3.655 3.655 3.655 . 0 0 "[ ]" 3
5 1 1 U H6 1 2 C H5 . 4.500 19.000 4.987 4.987 4.987 . 0 0 "[ ]" 3
6 1 1 U H1' 1 1 U H4' . 3.100 3.500 3.230 3.230 3.230 . 0 0 "[ ]" 3
7 1 2 C O2 1 16 G H21 . . 2.000 2.008 2.008 2.008 0.008 1 0 "[ ]" 3
8 1 2 C N3 1 16 G H1 . . 2.000 1.914 1.914 1.914 . 0 0 "[ ]" 3
9 1 2 C H41 1 16 G O6 . . 2.000 2.008 2.008 2.008 0.008 1 0 "[ ]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 3
_Distance_constraint_stats_list.Viol_count 2
_Distance_constraint_stats_list.Viol_total 0.015
_Distance_constraint_stats_list.Viol_max 0.011
_Distance_constraint_stats_list.Viol_rms 0.0062
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0048
_Distance_constraint_stats_list.Viol_average_violations_only 0.0073
_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 4 G 0.015 0.011 1 0 "[ ]"
1 14 C 0.015 0.011 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 4 G H21 1 14 C O2 . . 2.000 2.011 2.011 2.011 0.011 1 0 "[ ]" 4
2 1 4 G H1 1 14 C N3 . . 2.000 1.866 1.866 1.866 . 0 0 "[ ]" 4
3 1 4 G O6 1 14 C H41 . . 2.000 2.004 2.004 2.004 0.004 1 0 "[ ]" 4
stop_
save_
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