Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
411579 | 2au4 RC | 6814 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2au4
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 143
_Distance_constraint_stats_list.Viol_count 21
_Distance_constraint_stats_list.Viol_total 0.910
_Distance_constraint_stats_list.Viol_max 0.223
_Distance_constraint_stats_list.Viol_rms 0.0250
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0064
_Distance_constraint_stats_list.Viol_average_violations_only 0.0433
_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 G 0.000 0.000 . 0 "[ ]"
1 2 G 0.004 0.004 1 0 "[ ]"
1 3 G 0.039 0.039 1 0 "[ ]"
1 4 A 0.009 0.009 1 0 "[ ]"
1 5 C 0.029 0.020 1 0 "[ ]"
1 6 G 0.000 0.000 . 0 "[ ]"
1 7 A 0.058 0.033 1 0 "[ ]"
1 8 A 0.440 0.223 1 0 "[ ]"
1 9 G 0.127 0.127 1 0 "[ ]"
1 10 U 0.000 0.000 . 0 "[ ]"
1 11 G 0.058 0.058 1 0 "[ ]"
1 12 G 0.000 0.000 . 0 "[ ]"
1 13 U 0.003 0.003 1 0 "[ ]"
1 14 U 0.000 0.000 . 0 "[ ]"
1 15 G 0.020 0.020 1 0 "[ ]"
1 16 G 0.000 0.000 . 0 "[ ]"
1 17 G 0.000 0.000 . 0 "[ ]"
1 18 C 0.018 0.018 1 0 "[ ]"
1 19 G 0.019 0.019 1 0 "[ ]"
1 20 C 0.000 0.000 . 0 "[ ]"
1 21 U 0.000 0.000 . 0 "[ ]"
1 25 G 0.000 0.000 . 0 "[ ]"
1 26 C 0.051 0.051 1 0 "[ ]"
1 27 G 0.057 0.057 1 0 "[ ]"
1 28 U 0.011 0.011 1 0 "[ ]"
1 29 G 0.011 0.011 1 0 "[ ]"
1 30 U 0.000 0.000 . 0 "[ ]"
1 31 G 0.035 0.035 1 0 "[ ]"
1 32 A 0.020 0.020 1 0 "[ ]"
1 33 A 0.223 0.223 1 0 "[ ]"
1 34 A 0.010 0.010 1 0 "[ ]"
1 35 A 0.034 0.025 1 0 "[ ]"
1 36 C 0.000 0.000 . 0 "[ ]"
1 37 G 0.017 0.017 1 0 "[ ]"
1 38 U 0.129 0.112 1 0 "[ ]"
1 39 C 0.020 0.020 1 0 "[ ]"
1 40 C 0.000 0.000 . 0 "[ ]"
1 41 C 0.000 0.000 . 0 "[ ]"
2 1 GTP 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 1 G H1 1 2 G H1 3.800 3.000 5.200 3.605 3.605 3.605 . 0 0 "[ ]" 1
2 1 1 G H2' 1 2 G H8 2.300 . 2.800 2.594 2.594 2.594 . 0 0 "[ ]" 1
3 1 1 G H1' 1 2 G H8 4.100 2.200 6.000 5.036 5.036 5.036 . 0 0 "[ ]" 1
4 1 2 G H1 1 3 G H1 3.800 3.000 5.200 3.715 3.715 3.715 . 0 0 "[ ]" 1
5 1 2 G H2' 1 3 G H8 2.300 . 2.800 2.318 2.318 2.318 . 0 0 "[ ]" 1
6 1 2 G H1' 1 3 G H8 4.100 2.200 6.000 5.002 5.002 5.002 . 0 0 "[ ]" 1
7 1 2 G H3' 1 2 G H8 2.600 . 3.300 3.304 3.304 3.304 0.004 1 0 "[ ]" 1
8 1 3 G H1 1 38 U H3 3.800 3.000 5.200 3.795 3.795 3.795 . 0 0 "[ ]" 1
9 1 3 G H2' 1 4 A H8 2.300 . 2.800 2.296 2.296 2.296 . 0 0 "[ ]" 1
10 1 3 G H1' 1 4 A H8 4.100 2.200 6.000 4.875 4.875 4.875 . 0 0 "[ ]" 1
11 1 3 G H1 1 4 A H2 4.100 2.200 6.000 3.464 3.464 3.464 . 0 0 "[ ]" 1
12 1 3 G H3' 1 3 G H8 2.600 . 3.300 3.339 3.339 3.339 0.039 1 0 "[ ]" 1
13 1 4 A H2' 1 5 C H6 2.300 . 2.800 2.809 2.809 2.809 0.009 1 0 "[ ]" 1
14 1 4 A H1' 1 5 C H6 4.100 2.200 6.000 5.362 5.362 5.362 . 0 0 "[ ]" 1
15 1 4 A H2 1 37 G H1 4.100 2.200 6.000 5.533 5.533 5.533 . 0 0 "[ ]" 1
16 1 4 A H3' 1 4 A H8 2.600 . 3.300 3.022 3.022 3.022 . 0 0 "[ ]" 1
17 1 5 C H2' 1 6 G H8 2.300 . 2.800 2.126 2.126 2.126 . 0 0 "[ ]" 1
18 1 5 C H1' 1 6 G H8 4.100 2.200 6.000 4.721 4.721 4.721 . 0 0 "[ ]" 1
19 1 5 C H3' 1 5 C H6 2.600 . 3.300 3.320 3.320 3.320 0.020 1 0 "[ ]" 1
20 1 6 G H1 1 37 G H1 4.100 2.200 6.000 3.819 3.819 3.819 . 0 0 "[ ]" 1
21 1 7 A H1' 1 7 A H8 4.100 2.200 6.000 3.830 3.830 3.830 . 0 0 "[ ]" 1
22 1 7 A H3' 1 7 A H8 3.200 . 4.500 3.696 3.696 3.696 . 0 0 "[ ]" 1
23 1 6 G H1 1 7 A H2 4.100 2.200 6.000 3.459 3.459 3.459 . 0 0 "[ ]" 1
24 1 7 A H2 1 35 A H2 2.600 . 3.300 3.325 3.325 3.325 0.025 1 0 "[ ]" 1
25 1 7 A H2 1 36 C H5 4.100 2.200 6.000 5.690 5.690 5.690 . 0 0 "[ ]" 1
26 1 8 A H3' 1 8 A H8 4.100 2.200 6.000 3.336 3.336 3.336 . 0 0 "[ ]" 1
27 1 8 A H1' 1 8 A H8 4.100 2.200 6.000 3.899 3.899 3.899 . 0 0 "[ ]" 1
28 1 8 A H2' 1 8 A H8 3.200 . 4.500 2.740 2.740 2.740 . 0 0 "[ ]" 1
29 1 8 A H2' 1 9 G H8 3.200 . 4.500 4.627 4.627 4.627 0.127 1 0 "[ ]" 1
30 1 8 A H3' 1 9 G H8 4.100 2.200 6.000 5.386 5.386 5.386 . 0 0 "[ ]" 1
31 1 8 A H2 1 14 U H3 4.100 2.200 6.000 4.232 4.232 4.232 . 0 0 "[ ]" 1
32 1 8 A H4' 1 11 G H1' 4.100 2.200 6.000 6.058 6.058 6.058 0.058 1 0 "[ ]" 1
33 1 7 A H2' 1 8 A H8 3.200 . 4.500 4.533 4.533 4.533 0.033 1 0 "[ ]" 1
34 1 7 A H3' 1 8 A H8 3.200 . 4.500 3.607 3.607 3.607 . 0 0 "[ ]" 1
35 1 9 G H1' 1 9 G H8 4.100 2.200 6.000 3.852 3.852 3.852 . 0 0 "[ ]" 1
36 1 9 G H2' 1 9 G H8 3.200 . 4.500 3.009 3.009 3.009 . 0 0 "[ ]" 1
37 1 9 G H1 1 16 G H1 3.200 . 4.500 3.621 3.621 3.621 . 0 0 "[ ]" 1
38 1 9 G H1 1 28 U H3 4.100 2.200 7.000 3.252 3.252 3.252 . 0 0 "[ ]" 1
39 1 9 G H1 1 17 G H1 4.100 2.200 7.000 3.410 3.410 3.410 . 0 0 "[ ]" 1
40 1 10 U H2' 1 10 U H6 3.200 . 4.500 3.682 3.682 3.682 . 0 0 "[ ]" 1
41 1 10 U H1' 1 10 U H6 4.100 2.200 6.000 3.509 3.509 3.509 . 0 0 "[ ]" 1
42 1 11 G H3' 1 11 G H8 3.200 . 4.500 2.845 2.845 2.845 . 0 0 "[ ]" 1
43 1 11 G H1 1 14 U H3 4.100 2.200 6.000 4.344 4.344 4.344 . 0 0 "[ ]" 1
44 1 8 A H2 1 11 G H1 4.100 2.200 6.000 2.306 2.306 2.306 . 0 0 "[ ]" 1
45 1 8 A Q6 1 11 G H1 4.100 2.200 7.000 6.251 6.251 6.251 . 0 0 "[ ]" 1
46 1 11 G H1 1 15 G H8 4.100 2.200 7.000 4.136 4.136 4.136 . 0 0 "[ ]" 1
47 1 11 G H1 1 34 A H2 4.100 2.200 7.000 5.543 5.543 5.543 . 0 0 "[ ]" 1
48 1 11 G H1 1 14 U H5 4.100 2.200 7.000 4.562 4.562 4.562 . 0 0 "[ ]" 1
49 1 12 G H2' 1 12 G H8 4.100 2.200 6.000 3.389 3.389 3.389 . 0 0 "[ ]" 1
50 1 11 G H3' 1 12 G H8 4.100 2.200 6.000 4.628 4.628 4.628 . 0 0 "[ ]" 1
51 1 12 G H1' 1 12 G H8 4.100 2.200 6.000 3.807 3.807 3.807 . 0 0 "[ ]" 1
52 1 12 G H1 1 35 A H2 4.100 2.200 6.000 3.795 3.795 3.795 . 0 0 "[ ]" 1
53 1 12 G H1 1 34 A H2 2.600 . 3.300 2.365 2.365 2.365 . 0 0 "[ ]" 1
54 1 12 G H1' 1 35 A H8 4.100 2.200 6.000 2.343 2.343 2.343 . 0 0 "[ ]" 1
55 1 12 G H1 1 34 A H1' 3.200 . 4.500 4.241 4.241 4.241 . 0 0 "[ ]" 1
56 1 13 U H2' 1 13 U H6 3.200 . 4.500 1.997 1.997 1.997 0.003 1 0 "[ ]" 1
57 1 13 U H1' 1 13 U H6 4.100 2.200 6.000 3.091 3.091 3.091 . 0 0 "[ ]" 1
58 1 13 U H3' 1 13 U H6 3.200 . 4.500 4.213 4.213 4.213 . 0 0 "[ ]" 1
59 1 14 U H1' 1 14 U H6 4.100 2.200 6.000 3.380 3.380 3.380 . 0 0 "[ ]" 1
60 1 15 G H1' 1 16 G H8 4.100 2.200 6.000 4.767 4.767 4.767 . 0 0 "[ ]" 1
61 1 15 G H2' 1 16 G H8 2.600 . 3.300 2.038 2.038 2.038 . 0 0 "[ ]" 1
62 1 15 G H1' 1 33 A H2 3.200 . 4.500 3.431 3.431 3.431 . 0 0 "[ ]" 1
63 1 15 G H1 1 16 G H1 4.100 2.200 7.000 6.151 6.151 6.151 . 0 0 "[ ]" 1
64 1 8 A Q6 1 15 G H1 3.200 . 4.500 4.045 4.045 4.045 . 0 0 "[ ]" 1
65 1 15 G H1 1 32 A H2 2.600 . 3.300 3.320 3.320 3.320 0.020 1 0 "[ ]" 1
66 1 17 G H1 1 27 G H1 4.100 2.200 6.000 4.163 4.163 4.163 . 0 0 "[ ]" 1
67 1 17 G H1 1 28 U H3 2.400 . 3.000 2.757 2.757 2.757 . 0 0 "[ ]" 1
68 1 17 G H1 1 29 G H1 4.100 2.200 6.000 3.812 3.812 3.812 . 0 0 "[ ]" 1
69 1 17 G H1' 1 18 C H6 4.100 2.200 6.000 5.447 5.447 5.447 . 0 0 "[ ]" 1
70 1 17 G H3' 1 18 C H6 2.600 . 3.300 2.130 2.130 2.130 . 0 0 "[ ]" 1
71 1 18 C H2' 1 19 G H8 2.300 . 2.800 2.109 2.109 2.109 . 0 0 "[ ]" 1
72 1 18 C H1' 1 19 G H8 4.100 2.200 6.000 4.549 4.549 4.549 . 0 0 "[ ]" 1
73 1 18 C H3' 1 18 C H6 2.600 . 3.300 3.318 3.318 3.318 0.018 1 0 "[ ]" 1
74 1 19 G H2' 1 20 C H6 2.300 . 2.800 2.764 2.764 2.764 . 0 0 "[ ]" 1
75 1 19 G H1' 1 20 C H6 4.100 2.200 6.000 5.379 5.379 5.379 . 0 0 "[ ]" 1
76 1 19 G H1 1 27 G H1 4.100 2.200 6.000 4.214 4.214 4.214 . 0 0 "[ ]" 1
77 1 19 G H1 1 25 G H1 4.100 2.200 6.000 3.768 3.768 3.768 . 0 0 "[ ]" 1
78 1 19 G H3' 1 19 G H8 2.600 . 3.300 3.319 3.319 3.319 0.019 1 0 "[ ]" 1
79 1 20 C H1' 1 21 U H6 4.100 2.200 6.000 4.626 4.626 4.626 . 0 0 "[ ]" 1
80 1 25 G H2' 1 26 C H6 2.300 . 2.800 2.624 2.624 2.624 . 0 0 "[ ]" 1
81 1 25 G H1' 1 26 C H6 4.100 2.200 6.000 5.330 5.330 5.330 . 0 0 "[ ]" 1
82 1 26 C H2' 1 27 G H8 2.300 . 2.800 2.318 2.318 2.318 . 0 0 "[ ]" 1
83 1 26 C H1' 1 27 G H8 4.100 2.200 6.000 4.924 4.924 4.924 . 0 0 "[ ]" 1
84 1 26 C H3' 1 26 C H6 2.600 . 3.300 3.351 3.351 3.351 0.051 1 0 "[ ]" 1
85 1 27 G H1 1 28 U H3 4.100 2.200 6.000 5.448 5.448 5.448 . 0 0 "[ ]" 1
86 1 27 G H3' 1 27 G H8 2.600 . 3.300 3.357 3.357 3.357 0.057 1 0 "[ ]" 1
87 1 28 U H1' 1 28 U H6 4.100 2.200 6.000 3.565 3.565 3.565 . 0 0 "[ ]" 1
88 1 28 U H2' 1 28 U H6 3.200 . 4.500 3.516 3.516 3.516 . 0 0 "[ ]" 1
89 1 28 U H3' 1 28 U H6 4.100 2.200 6.000 3.967 3.967 3.967 . 0 0 "[ ]" 1
90 1 29 G H1' 1 29 G H8 2.600 . 3.300 2.611 2.611 2.611 . 0 0 "[ ]" 1
91 1 28 U H3 1 29 G H1 3.200 . 4.500 4.511 4.511 4.511 0.011 1 0 "[ ]" 1
92 1 29 G H1 1 31 G H1 3.200 . 4.500 3.188 3.188 3.188 . 0 0 "[ ]" 1
93 1 16 G H1 1 29 G H1 4.100 2.200 7.000 4.013 4.013 4.013 . 0 0 "[ ]" 1
94 1 9 G H1 1 29 G H1 4.100 2.200 7.000 3.359 3.359 3.359 . 0 0 "[ ]" 1
95 1 30 U H2' 1 30 U H6 4.100 2.200 6.000 2.725 2.725 2.725 . 0 0 "[ ]" 1
96 1 30 U H1' 1 30 U H6 4.100 2.200 6.000 3.724 3.724 3.724 . 0 0 "[ ]" 1
97 1 31 G H1' 1 31 G H8 4.100 2.200 6.000 3.454 3.454 3.454 . 0 0 "[ ]" 1
98 1 31 G H3' 1 31 G H8 4.100 2.200 6.000 4.744 4.744 4.744 . 0 0 "[ ]" 1
99 1 31 G H4' 1 31 G H8 3.200 . 4.500 4.535 4.535 4.535 0.035 1 0 "[ ]" 1
100 1 31 G H1' 1 32 A H8 4.100 2.200 6.000 5.151 5.151 5.151 . 0 0 "[ ]" 1
101 1 16 G H1 1 31 G H1 4.100 2.200 7.000 5.066 5.066 5.066 . 0 0 "[ ]" 1
102 1 9 G H1 1 31 G H1 3.200 . 4.500 3.455 3.455 3.455 . 0 0 "[ ]" 1
103 1 32 A H2' 1 32 A H8 2.600 . 3.300 2.440 2.440 2.440 . 0 0 "[ ]" 1
104 1 32 A H3' 1 32 A H8 2.600 . 3.300 3.188 3.188 3.188 . 0 0 "[ ]" 1
105 1 8 A H2 1 32 A H2 4.100 2.200 6.000 3.709 3.709 3.709 . 0 0 "[ ]" 1
106 1 33 A H1' 1 33 A H8 4.100 2.200 6.000 3.536 3.536 3.536 . 0 0 "[ ]" 1
107 1 33 A H3' 1 33 A H8 3.200 . 4.500 4.147 4.147 4.147 . 0 0 "[ ]" 1
108 1 33 A H1' 1 34 A H8 4.100 2.200 6.000 4.795 4.795 4.795 . 0 0 "[ ]" 1
109 1 33 A H2' 1 34 A H8 3.200 . 4.500 2.905 2.905 2.905 . 0 0 "[ ]" 1
110 1 14 U H3 1 33 A H2 2.600 . 3.300 2.508 2.508 2.508 . 0 0 "[ ]" 1
111 1 14 U H3 1 33 A Q6 2.600 . 3.300 2.502 2.502 2.502 . 0 0 "[ ]" 1
112 1 8 A H2 1 33 A Q6 3.200 . 4.500 1.777 1.777 1.777 0.223 1 0 "[ ]" 1
113 1 11 G H1 1 33 A Q6 3.200 . 4.500 3.034 3.034 3.034 . 0 0 "[ ]" 1
114 1 14 U H3 1 34 A H2 4.100 2.200 6.000 5.726 5.726 5.726 . 0 0 "[ ]" 1
115 1 33 A Q6 1 34 A H2 4.100 2.200 6.000 4.398 4.398 4.398 . 0 0 "[ ]" 1
116 1 34 A H1' 1 34 A H8 3.200 . 4.500 3.448 3.448 3.448 . 0 0 "[ ]" 1
117 1 34 A Q5' 1 34 A H8 4.100 2.200 6.000 3.780 3.780 3.780 . 0 0 "[ ]" 1
118 1 7 A H1' 1 34 A H2 4.100 2.200 6.000 5.043 5.043 5.043 . 0 0 "[ ]" 1
119 1 7 A H2 1 34 A H8 4.100 2.200 7.000 6.990 6.990 6.990 . 0 0 "[ ]" 1
120 1 35 A H1' 1 35 A H8 2.600 . 3.300 2.564 2.564 2.564 . 0 0 "[ ]" 1
121 1 35 A H2' 1 35 A H8 4.100 2.200 6.000 3.882 3.882 3.882 . 0 0 "[ ]" 1
122 1 35 A H3' 1 35 A H8 4.100 2.200 6.000 5.605 5.605 5.605 . 0 0 "[ ]" 1
123 1 34 A H2 1 35 A H2 4.100 2.200 4.500 4.510 4.510 4.510 0.010 1 0 "[ ]" 1
124 1 36 C H2' 1 37 G H8 2.300 . 2.800 2.313 2.313 2.313 . 0 0 "[ ]" 1
125 1 36 C H1' 1 37 G H8 4.100 2.200 6.000 4.493 4.493 4.493 . 0 0 "[ ]" 1
126 1 37 G H1 1 38 U H3 3.800 3.000 5.200 5.217 5.217 5.217 0.017 1 0 "[ ]" 1
127 1 37 G H2' 1 38 U H6 2.300 . 2.800 2.795 2.795 2.795 . 0 0 "[ ]" 1
128 1 37 G H1' 1 38 U H6 4.100 2.200 6.000 5.412 5.412 5.412 . 0 0 "[ ]" 1
129 1 37 G H3' 1 37 G H8 2.600 . 3.300 3.233 3.233 3.233 . 0 0 "[ ]" 1
130 1 38 U H2' 1 39 C H6 2.300 . 2.800 2.376 2.376 2.376 . 0 0 "[ ]" 1
131 1 38 U H1' 1 39 C H6 4.100 2.200 6.000 4.724 4.724 4.724 . 0 0 "[ ]" 1
132 1 38 U H3' 1 38 U H6 2.600 . 3.300 3.412 3.412 3.412 0.112 1 0 "[ ]" 1
133 1 39 C H2' 1 40 C H6 2.300 . 2.800 2.323 2.323 2.323 . 0 0 "[ ]" 1
134 1 39 C H1' 1 40 C H6 4.100 2.200 6.000 4.481 4.481 4.481 . 0 0 "[ ]" 1
135 1 39 C H3' 1 39 C H6 2.600 . 3.300 3.320 3.320 3.320 0.020 1 0 "[ ]" 1
136 1 40 C H2' 1 41 C H6 2.300 . 2.800 2.396 2.396 2.396 . 0 0 "[ ]" 1
137 1 40 C H1' 1 41 C H6 4.100 2.200 6.000 5.146 5.146 5.146 . 0 0 "[ ]" 1
138 1 40 C H3' 1 40 C H6 2.600 . 3.300 3.258 3.258 3.258 . 0 0 "[ ]" 1
139 1 9 G H8 2 1 GTP H1' 3.200 . 4.500 4.458 4.458 4.458 . 0 0 "[ ]" 1
140 1 9 G H1' 2 1 GTP H4' 3.200 . 4.500 4.033 4.033 4.033 . 0 0 "[ ]" 1
141 1 8 A H1' 2 1 GTP H8 4.100 2.200 6.000 3.779 3.779 3.779 . 0 0 "[ ]" 1
142 1 8 A H4' 2 1 GTP H8 4.100 2.200 6.000 5.741 5.741 5.741 . 0 0 "[ ]" 1
143 1 11 G H1 2 1 GTP H3' 3.200 . 4.500 2.506 2.506 2.506 . 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 63
_Distance_constraint_stats_list.Viol_count 50
_Distance_constraint_stats_list.Viol_total 1.596
_Distance_constraint_stats_list.Viol_max 0.100
_Distance_constraint_stats_list.Viol_rms 0.0234
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0253
_Distance_constraint_stats_list.Viol_average_violations_only 0.0319
_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 G 0.220 0.076 1 0 "[ ]"
1 2 G 0.234 0.077 1 0 "[ ]"
1 3 G 0.137 0.066 1 0 "[ ]"
1 4 A 0.073 0.041 1 0 "[ ]"
1 5 C 0.256 0.100 1 0 "[ ]"
1 6 G 0.126 0.042 1 0 "[ ]"
1 19 G 0.110 0.035 1 0 "[ ]"
1 20 C 0.131 0.049 1 0 "[ ]"
1 21 U 0.213 0.067 1 0 "[ ]"
1 22 U 0.093 0.043 1 0 "[ ]"
1 23 C 0.097 0.043 1 0 "[ ]"
1 24 G 0.213 0.067 1 0 "[ ]"
1 25 G 0.131 0.049 1 0 "[ ]"
1 26 C 0.110 0.035 1 0 "[ ]"
1 36 C 0.126 0.042 1 0 "[ ]"
1 37 G 0.256 0.100 1 0 "[ ]"
1 38 U 0.073 0.041 1 0 "[ ]"
1 39 C 0.137 0.066 1 0 "[ ]"
1 40 C 0.234 0.077 1 0 "[ ]"
1 41 C 0.220 0.076 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 G N1 1 41 C N3 2.950 2.940 2.960 2.898 2.898 2.898 0.042 1 0 "[ ]" 2
2 1 1 G O6 1 41 C N4 2.910 2.900 2.920 2.923 2.923 2.923 0.003 1 0 "[ ]" 2
3 1 1 G N2 1 41 C O2 2.860 2.850 2.870 2.923 2.923 2.923 0.053 1 0 "[ ]" 2
4 1 1 G N2 1 41 C N3 3.650 3.640 3.660 3.593 3.593 3.593 0.047 1 0 "[ ]" 2
5 1 1 G O6 1 41 C O2 5.420 5.410 5.430 5.334 5.334 5.334 0.076 1 0 "[ ]" 2
6 1 2 G N1 1 40 C N3 2.950 2.940 2.960 2.886 2.886 2.886 0.054 1 0 "[ ]" 2
7 1 2 G O6 1 40 C N4 2.910 2.900 2.920 2.858 2.858 2.858 0.042 1 0 "[ ]" 2
8 1 2 G N2 1 40 C O2 2.860 2.850 2.870 2.899 2.899 2.899 0.029 1 0 "[ ]" 2
9 1 2 G N2 1 40 C N3 3.650 3.640 3.660 3.608 3.608 3.608 0.032 1 0 "[ ]" 2
10 1 2 G O6 1 40 C O2 5.420 5.410 5.430 5.333 5.333 5.333 0.077 1 0 "[ ]" 2
11 1 3 G N1 1 39 C N3 2.950 2.940 2.960 2.912 2.912 2.912 0.028 1 0 "[ ]" 2
12 1 3 G O6 1 39 C N4 2.910 2.900 2.920 2.887 2.887 2.887 0.013 1 0 "[ ]" 2
13 1 3 G N2 1 39 C O2 2.860 2.850 2.870 2.833 2.833 2.833 0.017 1 0 "[ ]" 2
14 1 3 G N2 1 39 C N3 3.650 3.640 3.660 3.627 3.627 3.627 0.013 1 0 "[ ]" 2
15 1 3 G O6 1 39 C O2 5.420 5.410 5.430 5.344 5.344 5.344 0.066 1 0 "[ ]" 2
16 1 4 A N6 1 38 U O4 2.950 2.940 2.960 2.961 2.961 2.961 0.001 1 0 "[ ]" 2
17 1 4 A N1 1 38 U N3 2.820 2.810 2.830 2.835 2.835 2.835 0.005 1 0 "[ ]" 2
18 1 4 A N1 1 38 U O4 4.050 4.040 4.060 3.999 3.999 3.999 0.041 1 0 "[ ]" 2
19 1 4 A N6 1 38 U O2 4.790 4.780 4.800 4.826 4.826 4.826 0.026 1 0 "[ ]" 2
20 1 5 C N4 1 37 G O6 2.910 2.900 2.920 2.955 2.955 2.955 0.035 1 0 "[ ]" 2
21 1 5 C N3 1 37 G N1 2.950 2.940 2.960 2.889 2.889 2.889 0.051 1 0 "[ ]" 2
22 1 5 C O2 1 37 G N2 2.860 2.850 2.870 2.828 2.828 2.828 0.022 1 0 "[ ]" 2
23 1 5 C N3 1 37 G N2 3.650 3.640 3.660 3.593 3.593 3.593 0.047 1 0 "[ ]" 2
24 1 5 C O2 1 37 G O6 5.420 5.410 5.430 5.310 5.310 5.310 0.100 1 0 "[ ]" 2
25 1 6 G N1 1 36 C N3 2.950 2.940 2.960 2.914 2.914 2.914 0.026 1 0 "[ ]" 2
26 1 6 G O6 1 36 C N4 2.910 2.900 2.920 2.858 2.858 2.858 0.042 1 0 "[ ]" 2
27 1 6 G N2 1 36 C O2 2.860 2.850 2.870 2.849 2.849 2.849 0.001 1 0 "[ ]" 2
28 1 6 G N2 1 36 C N3 3.650 3.640 3.660 3.623 3.623 3.623 0.017 1 0 "[ ]" 2
29 1 6 G O6 1 36 C O2 5.420 5.410 5.430 5.369 5.369 5.369 0.041 1 0 "[ ]" 2
30 1 19 G N1 1 26 C N3 2.950 2.940 2.960 2.917 2.917 2.917 0.023 1 0 "[ ]" 2
31 1 19 G O6 1 26 C N4 2.910 2.900 2.920 2.874 2.874 2.874 0.026 1 0 "[ ]" 2
32 1 19 G N2 1 26 C O2 2.860 2.850 2.870 2.844 2.844 2.844 0.006 1 0 "[ ]" 2
33 1 19 G N2 1 26 C N3 3.650 3.640 3.660 3.621 3.621 3.621 0.019 1 0 "[ ]" 2
34 1 19 G O6 1 26 C O2 5.420 5.410 5.430 5.375 5.375 5.375 0.035 1 0 "[ ]" 2
35 1 20 C N3 1 25 G N1 2.950 2.940 2.960 2.917 2.917 2.917 0.023 1 0 "[ ]" 2
36 1 20 C N4 1 25 G O6 2.910 2.900 2.920 2.864 2.864 2.864 0.036 1 0 "[ ]" 2
37 1 20 C O2 1 25 G N2 2.860 2.850 2.870 2.885 2.885 2.885 0.015 1 0 "[ ]" 2
38 1 20 C N3 1 25 G N2 3.650 3.640 3.660 3.632 3.632 3.632 0.008 1 0 "[ ]" 2
39 1 20 C O2 1 25 G O6 5.420 5.410 5.430 5.361 5.361 5.361 0.049 1 0 "[ ]" 2
40 1 21 U C2' 1 22 U C6 5.200 4.900 5.500 5.102 5.102 5.102 . 0 0 "[ ]" 2
41 1 21 U O2' 1 22 U C2' 3.700 3.400 4.000 4.043 4.043 4.043 0.043 1 0 "[ ]" 2
42 1 21 U C3' 1 22 U C6 5.000 4.700 5.300 4.688 4.688 4.688 0.012 1 0 "[ ]" 2
43 1 21 U C3' 1 22 U C2' 5.200 4.900 5.500 5.538 5.538 5.538 0.038 1 0 "[ ]" 2
44 1 22 U C2' 1 22 U C6 3.200 2.900 3.500 3.406 3.406 3.406 . 0 0 "[ ]" 2
45 1 22 U C3' 1 22 U C6 4.300 4.000 4.600 4.113 4.113 4.113 . 0 0 "[ ]" 2
46 1 23 C C3' 1 23 C C6 4.500 4.200 4.800 4.197 4.197 4.197 0.003 1 0 "[ ]" 2
47 1 23 C C2' 1 23 C C6 3.400 3.100 3.700 3.416 3.416 3.416 . 0 0 "[ ]" 2
48 1 21 U O2' 1 23 C C1' 6.200 5.600 6.800 5.783 5.783 5.783 . 0 0 "[ ]" 2
49 1 23 C C6 1 24 G N1 3.500 3.200 3.800 3.838 3.838 3.838 0.038 1 0 "[ ]" 2
50 1 23 C C1' 1 24 G N1 3.600 3.300 3.900 3.257 3.257 3.257 0.043 1 0 "[ ]" 2
51 1 23 C C4' 1 24 G N1 4.000 3.700 4.300 3.803 3.803 3.803 . 0 0 "[ ]" 2
52 1 23 C C6 1 24 G O6 3.800 3.500 4.100 3.590 3.590 3.590 . 0 0 "[ ]" 2
53 1 23 C O2 1 24 G N1 5.200 4.900 5.500 4.897 4.897 4.897 0.003 1 0 "[ ]" 2
54 1 23 C O2 1 24 G N2 4.300 4.000 4.600 4.610 4.610 4.610 0.010 1 0 "[ ]" 2
55 1 21 U C2' 1 23 C C6 4.000 3.700 4.300 4.226 4.226 4.226 . 0 0 "[ ]" 2
56 1 21 U O2 1 24 G N1 2.900 2.600 3.200 2.652 2.652 2.652 . 0 0 "[ ]" 2
57 1 21 U O2 1 24 G O6 3.900 3.600 4.200 3.566 3.566 3.566 0.034 1 0 "[ ]" 2
58 1 21 U N3 1 24 G N1 4.900 4.600 5.200 4.653 4.653 4.653 . 0 0 "[ ]" 2
59 1 21 U N3 1 24 G N2 4.600 4.300 4.900 4.281 4.281 4.281 0.019 1 0 "[ ]" 2
60 1 21 U O2 1 24 G N2 3.300 3.000 3.600 3.277 3.277 3.277 . 0 0 "[ ]" 2
61 1 21 U N1 1 24 G N2 5.500 5.200 5.800 5.206 5.206 5.206 . 0 0 "[ ]" 2
62 1 21 U O2' 1 24 G N1 4.100 3.800 4.400 3.733 3.733 3.733 0.067 1 0 "[ ]" 2
63 1 21 U O2' 1 24 G O6 2.400 2.100 2.700 2.584 2.584 2.584 . 0 0 "[ ]" 2
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