Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
576215 | 2mav RC | 19375 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mav
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 49
_Distance_constraint_stats_list.Viol_count 467
_Distance_constraint_stats_list.Viol_total 505.316
_Distance_constraint_stats_list.Viol_max 0.477
_Distance_constraint_stats_list.Viol_rms 0.0937
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1031
_Distance_constraint_stats_list.Viol_average_violations_only 0.1082
_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 DC 5.115 0.322 5 0 "[ . 1]"
1 2 DT 5.777 0.303 6 0 "[ . 1]"
1 3 DC 4.179 0.208 10 0 "[ . 1]"
1 4 DG 3.013 0.090 5 0 "[ . 1]"
1 5 DG 4.012 0.130 7 0 "[ . 1]"
1 6 DC 3.217 0.163 3 0 "[ . 1]"
1 8 DC 7.132 0.477 8 0 "[ . 1]"
1 9 DC 2.872 0.115 4 0 "[ . 1]"
1 10 DA 5.936 0.384 8 0 "[ . 1]"
1 11 DT 5.875 0.373 8 0 "[ . 1]"
1 12 DC 3.405 0.125 4 0 "[ . 1]"
2 1 DG 3.405 0.125 4 0 "[ . 1]"
2 2 DA 5.875 0.373 8 0 "[ . 1]"
2 3 DT 5.936 0.384 8 0 "[ . 1]"
2 4 DG 2.872 0.115 4 0 "[ . 1]"
2 5 DG 7.132 0.477 8 0 "[ . 1]"
2 7 DG 3.217 0.163 3 0 "[ . 1]"
2 8 DC 4.012 0.130 7 0 "[ . 1]"
2 9 DC 3.013 0.090 5 0 "[ . 1]"
2 10 DG 4.179 0.208 10 0 "[ . 1]"
2 11 DA 5.777 0.303 6 0 "[ . 1]"
2 12 DG 5.115 0.322 5 0 "[ . 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 1 DC H42 2 12 DG O6 . . 1.800 1.928 1.858 2.014 0.214 8 0 "[ . 1]" 1
2 1 1 DC N3 2 12 DG H1 . . 1.840 1.882 1.873 1.893 0.053 9 0 "[ . 1]" 1
3 1 1 DC N3 2 12 DG N1 . . 2.850 2.855 2.842 2.864 0.014 5 0 "[ . 1]" 1
4 1 1 DC N4 2 12 DG O6 . . 2.810 2.920 2.866 2.996 0.186 8 0 "[ . 1]" 1
5 1 1 DC O2 2 12 DG H22 . . 1.750 1.975 1.895 2.072 0.322 5 0 "[ . 1]" 1
6 1 2 DT H3 2 11 DA N1 . . 1.710 1.976 1.927 2.013 0.303 6 0 "[ . 1]" 1
7 1 2 DT N3 2 11 DA N1 . . 2.720 2.983 2.937 3.015 0.295 6 0 "[ . 1]" 1
8 1 2 DT O4 2 11 DA H61 . . 1.840 1.889 1.855 1.928 0.088 1 0 "[ . 1]" 1
9 1 3 DC H42 2 10 DG O6 . . 1.800 1.825 1.812 1.837 0.037 5 0 "[ . 1]" 1
10 1 3 DC N3 2 10 DG H1 . . 1.840 1.941 1.924 1.954 0.114 3 0 "[ . 1]" 1
11 1 3 DC N3 2 10 DG N1 . . 2.850 2.944 2.927 2.950 0.100 1 0 "[ . 1]" 1
12 1 3 DC N4 2 10 DG O6 . . 2.810 2.838 2.825 2.850 0.040 5 0 "[ . 1]" 1
13 1 3 DC O2 2 10 DG H22 . . 1.750 1.919 1.881 1.958 0.208 10 0 "[ . 1]" 1
14 1 4 DG H1 2 9 DC N3 . . 1.840 1.906 1.898 1.916 0.076 5 0 "[ . 1]" 1
15 1 4 DG H22 2 9 DC O2 . . 1.750 1.800 1.776 1.833 0.083 3 0 "[ . 1]" 1
16 1 4 DG N1 2 9 DC N3 . . 2.850 2.912 2.903 2.923 0.073 5 0 "[ . 1]" 1
17 1 4 DG O6 2 9 DC H42 . . 1.800 1.865 1.835 1.890 0.090 5 0 "[ . 1]" 1
18 1 4 DG O6 2 9 DC N4 . . 2.810 2.868 2.843 2.897 0.087 5 0 "[ . 1]" 1
19 1 5 DG H1 2 8 DC N3 . . 1.840 1.942 1.922 1.966 0.126 2 0 "[ . 1]" 1
20 1 5 DG H22 2 8 DC O2 . . 1.750 1.863 1.843 1.880 0.130 7 0 "[ . 1]" 1
21 1 5 DG N1 2 8 DC N3 . . 2.850 2.949 2.930 2.973 0.123 2 0 "[ . 1]" 1
22 1 5 DG O6 2 8 DC H42 . . 1.800 1.842 1.814 1.864 0.064 1 0 "[ . 1]" 1
23 1 5 DG O6 2 8 DC N4 . . 2.810 2.855 2.826 2.877 0.067 2 0 "[ . 1]" 1
24 1 6 DC H42 2 7 DG O6 . . 1.800 1.819 1.794 1.885 0.085 7 0 "[ . 1]" 1
25 1 6 DC N3 2 7 DG H1 . . 1.840 1.920 1.903 1.939 0.099 3 0 "[ . 1]" 1
26 1 6 DC N3 2 7 DG N1 . . 2.850 2.923 2.909 2.938 0.088 3 0 "[ . 1]" 1
27 1 6 DC N4 2 7 DG O6 . . 2.810 2.824 2.805 2.889 0.079 7 0 "[ . 1]" 1
28 1 6 DC O2 2 7 DG H22 . . 1.750 1.883 1.853 1.913 0.163 3 0 "[ . 1]" 1
29 1 8 DC H42 2 5 DG O6 . . 1.800 1.798 1.785 1.808 0.008 9 0 "[ . 1]" 1
30 1 8 DC N3 2 5 DG H1 . . 1.840 2.037 1.977 2.090 0.250 8 0 "[ . 1]" 1
31 1 8 DC N3 2 5 DG N1 . . 2.850 3.032 2.975 3.084 0.234 8 0 "[ . 1]" 1
32 1 8 DC N4 2 5 DG O6 . . 2.810 2.816 2.802 2.827 0.017 9 0 "[ . 1]" 1
33 1 8 DC O2 2 5 DG H22 . . 1.750 2.074 1.927 2.227 0.477 8 0 "[ . 1]" 1
34 1 9 DC H42 2 4 DG O6 . . 1.800 1.833 1.798 1.858 0.058 3 0 "[ . 1]" 1
35 1 9 DC N3 2 4 DG H1 . . 1.840 1.912 1.904 1.925 0.085 4 0 "[ . 1]" 1
36 1 9 DC N3 2 4 DG N1 . . 2.850 2.918 2.906 2.933 0.083 4 0 "[ . 1]" 1
37 1 9 DC N4 2 4 DG O6 . . 2.810 2.842 2.815 2.860 0.050 6 0 "[ . 1]" 1
38 1 9 DC O2 2 4 DG H22 . . 1.750 1.833 1.808 1.865 0.115 4 0 "[ . 1]" 1
39 1 10 DA H61 2 3 DT O4 . . 1.840 1.849 1.825 1.879 0.039 9 0 "[ . 1]" 1
40 1 10 DA N1 2 3 DT H3 . . 1.710 2.009 1.954 2.094 0.384 8 0 "[ . 1]" 1
41 1 10 DA N1 2 3 DT N3 . . 2.720 3.004 2.955 3.090 0.370 8 0 "[ . 1]" 1
42 1 11 DT H3 2 2 DA N1 . . 1.710 2.008 1.978 2.083 0.373 8 0 "[ . 1]" 1
43 1 11 DT N3 2 2 DA N1 . . 2.720 3.004 2.976 3.069 0.349 8 0 "[ . 1]" 1
44 1 11 DT O4 2 2 DA H61 . . 1.840 1.842 1.820 1.866 0.026 6 0 "[ . 1]" 1
45 1 12 DC H42 2 1 DG O6 . . 1.800 1.863 1.826 1.878 0.078 2 0 "[ . 1]" 1
46 1 12 DC N3 2 1 DG H1 . . 1.840 1.910 1.902 1.922 0.082 3 0 "[ . 1]" 1
47 1 12 DC N3 2 1 DG N1 . . 2.850 2.912 2.905 2.923 0.073 3 0 "[ . 1]" 1
48 1 12 DC N4 2 1 DG O6 . . 2.810 2.874 2.841 2.887 0.077 2 0 "[ . 1]" 1
49 1 12 DC O2 2 1 DG H22 . . 1.750 1.832 1.804 1.875 0.125 4 0 "[ . 1]" 1
stop_
save_