Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
473491 | 2jmk RC | 15039 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jmk
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 39
_Distance_constraint_stats_list.Viol_count 303
_Distance_constraint_stats_list.Viol_total 118.779
_Distance_constraint_stats_list.Viol_max 0.224
_Distance_constraint_stats_list.Viol_rms 0.0203
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0076
_Distance_constraint_stats_list.Viol_average_violations_only 0.0196
_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 26 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 PHE 1.102 0.123 7 0 "[ . 1 . 2]"
1 28 LEU 0.089 0.016 20 0 "[ . 1 . 2]"
1 29 GLU 0.750 0.054 11 0 "[ . 1 . 2]"
1 30 SER 0.055 0.018 15 0 "[ . 1 . 2]"
1 31 PHE 2.126 0.123 7 0 "[ . 1 . 2]"
1 32 SER 0.089 0.016 20 0 "[ . 1 . 2]"
1 33 GLU 1.904 0.224 11 0 "[ . 1 . 2]"
1 34 LEU 0.163 0.066 20 0 "[ . 1 . 2]"
1 35 TYR 1.024 0.086 7 0 "[ . 1 . 2]"
1 37 ILE 1.155 0.224 11 0 "[ . 1 . 2]"
1 38 ILE 0.108 0.066 20 0 "[ . 1 . 2]"
1 46 MET 0.007 0.006 14 0 "[ . 1 . 2]"
1 47 MET 0.085 0.011 8 0 "[ . 1 . 2]"
1 48 ASP 0.141 0.028 20 0 "[ . 1 . 2]"
1 49 PHE 0.037 0.005 13 0 "[ . 1 . 2]"
1 50 ILE 0.143 0.016 14 0 "[ . 1 . 2]"
1 51 SER 0.085 0.011 8 0 "[ . 1 . 2]"
1 52 ARG 0.141 0.028 20 0 "[ . 1 . 2]"
1 53 PHE 0.037 0.005 13 0 "[ . 1 . 2]"
1 54 ALA 0.136 0.016 14 0 "[ . 1 . 2]"
1 89 MET 0.331 0.050 19 0 "[ . 1 . 2]"
1 90 LYS 0.001 0.001 16 0 "[ . 1 . 2]"
1 91 LYS 0.259 0.034 9 0 "[ . 1 . 2]"
1 92 VAL 0.207 0.036 8 0 "[ . 1 . 2]"
1 93 ILE 0.474 0.050 19 0 "[ . 1 . 2]"
1 94 LYS 0.094 0.024 9 0 "[ . 1 . 2]"
1 95 ALA 0.475 0.040 9 0 "[ . 1 . 2]"
1 96 THR 0.207 0.036 8 0 "[ . 1 . 2]"
1 97 ALA 0.144 0.030 12 0 "[ . 1 . 2]"
1 98 GLU 0.093 0.024 9 0 "[ . 1 . 2]"
1 99 LYS 0.216 0.040 9 0 "[ . 1 . 2]"
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 26 ARG O 1 30 SER N . 2.700 3.000 2.935 2.858 2.989 . 0 0 "[ . 1 . 2]" 1
2 1 27 PHE O 1 31 PHE H . . 2.000 2.041 1.931 2.123 0.123 7 0 "[ . 1 . 2]" 1
3 1 27 PHE O 1 31 PHE N . 2.700 3.000 3.004 2.910 3.062 0.062 7 0 "[ . 1 . 2]" 1
4 1 28 LEU O 1 32 SER H . . 2.000 1.949 1.804 2.016 0.016 20 0 "[ . 1 . 2]" 1
5 1 28 LEU O 1 32 SER N . 2.700 3.000 2.885 2.747 2.966 . 0 0 "[ . 1 . 2]" 1
6 1 29 GLU O 1 33 GLU H . . 2.000 2.033 2.002 2.054 0.054 11 0 "[ . 1 . 2]" 1
7 1 29 GLU O 1 33 GLU N . 2.700 3.000 2.997 2.930 3.025 0.025 11 0 "[ . 1 . 2]" 1
8 1 30 SER O 1 34 LEU H . . 2.000 1.949 1.815 2.018 0.018 15 0 "[ . 1 . 2]" 1
9 1 30 SER O 1 34 LEU N . 2.700 3.000 2.814 2.747 2.893 . 0 0 "[ . 1 . 2]" 1
10 1 31 PHE O 1 35 TYR H . . 2.000 2.044 1.907 2.086 0.086 7 0 "[ . 1 . 2]" 1
11 1 31 PHE O 1 35 TYR N . 2.700 3.000 2.977 2.876 3.026 0.026 20 0 "[ . 1 . 2]" 1
12 1 33 GLU O 1 37 ILE H . . 2.000 2.049 1.939 2.224 0.224 11 0 "[ . 1 . 2]" 1
13 1 33 GLU O 1 37 ILE N . 2.700 3.000 2.987 2.904 3.032 0.032 11 0 "[ . 1 . 2]" 1
14 1 34 LEU O 1 38 ILE H . . 2.000 1.852 1.786 2.066 0.066 20 0 "[ . 1 . 2]" 1
15 1 34 LEU O 1 38 ILE N . 2.700 3.000 2.756 2.703 2.824 . 0 0 "[ . 1 . 2]" 1
16 1 46 MET O 1 50 ILE H . . 2.000 1.904 1.799 2.006 0.006 14 0 "[ . 1 . 2]" 1
17 1 46 MET O 1 50 ILE N . 2.700 3.000 2.859 2.749 2.952 . 0 0 "[ . 1 . 2]" 1
18 1 47 MET O 1 51 SER H . . 2.000 1.993 1.871 2.011 0.011 8 0 "[ . 1 . 2]" 1
19 1 47 MET O 1 51 SER N . 2.700 3.000 2.942 2.772 2.985 . 0 0 "[ . 1 . 2]" 1
20 1 48 ASP O 1 52 ARG H . . 2.000 2.004 1.936 2.028 0.028 20 0 "[ . 1 . 2]" 1
21 1 48 ASP O 1 52 ARG N . 2.700 3.000 2.750 2.735 2.847 . 0 0 "[ . 1 . 2]" 1
22 1 49 PHE O 1 53 PHE H . . 2.000 1.981 1.800 2.005 0.005 13 0 "[ . 1 . 2]" 1
23 1 49 PHE O 1 53 PHE N . 2.700 3.000 2.937 2.775 2.971 . 0 0 "[ . 1 . 2]" 1
24 1 50 ILE O 1 54 ALA H . . 2.000 2.007 2.001 2.016 0.016 14 0 "[ . 1 . 2]" 1
25 1 50 ILE O 1 54 ALA N . 2.700 3.000 2.742 2.725 2.750 . 0 0 "[ . 1 . 2]" 1
26 1 89 MET O 1 93 ILE H . . 2.000 2.003 1.915 2.050 0.050 19 0 "[ . 1 . 2]" 1
27 1 89 MET O 1 93 ILE N . 2.700 3.000 2.962 2.864 3.017 0.017 15 0 "[ . 1 . 2]" 1
28 1 90 LYS O 1 94 LYS H . . 2.000 1.877 1.807 2.001 0.001 16 0 "[ . 1 . 2]" 1
29 1 90 LYS O 1 94 LYS N . 2.700 3.000 2.786 2.747 2.894 . 0 0 "[ . 1 . 2]" 1
30 1 91 LYS O 1 95 ALA H . . 2.000 2.013 2.001 2.034 0.034 9 0 "[ . 1 . 2]" 1
31 1 91 LYS O 1 95 ALA N . 2.700 3.000 2.918 2.815 2.959 . 0 0 "[ . 1 . 2]" 1
32 1 92 VAL O 1 96 THR H . . 2.000 1.993 1.872 2.036 0.036 8 0 "[ . 1 . 2]" 1
33 1 92 VAL O 1 96 THR N . 2.700 3.000 2.954 2.852 2.999 . 0 0 "[ . 1 . 2]" 1
34 1 93 ILE O 1 97 ALA H . . 2.000 1.998 1.911 2.030 0.030 12 0 "[ . 1 . 2]" 1
35 1 93 ILE O 1 97 ALA N . 2.700 3.000 2.934 2.870 2.983 . 0 0 "[ . 1 . 2]" 1
36 1 94 LYS O 1 98 GLU H . . 2.000 1.976 1.821 2.024 0.024 9 0 "[ . 1 . 2]" 1
37 1 94 LYS O 1 98 GLU N . 2.700 3.000 2.794 2.749 2.895 . 0 0 "[ . 1 . 2]" 1
38 1 95 ALA O 1 99 LYS H . . 2.000 2.009 1.965 2.040 0.040 9 0 "[ . 1 . 2]" 1
39 1 95 ALA O 1 99 LYS N . 2.700 3.000 2.872 2.747 2.929 . 0 0 "[ . 1 . 2]" 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 49
_Distance_constraint_stats_list.Viol_count 253
_Distance_constraint_stats_list.Viol_total 56.211
_Distance_constraint_stats_list.Viol_max 0.078
_Distance_constraint_stats_list.Viol_rms 0.0076
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0029
_Distance_constraint_stats_list.Viol_average_violations_only 0.0111
_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 3 THR 0.035 0.012 17 0 "[ . 1 . 2]"
1 4 LEU 0.164 0.077 17 0 "[ . 1 . 2]"
1 5 CYS 0.033 0.012 17 0 "[ . 1 . 2]"
1 6 ALA 0.352 0.039 9 0 "[ . 1 . 2]"
1 7 MET 0.276 0.041 9 0 "[ . 1 . 2]"
1 8 TYR 0.044 0.012 11 0 "[ . 1 . 2]"
1 9 ASN 0.052 0.019 5 0 "[ . 1 . 2]"
1 10 ILE 0.295 0.031 9 0 "[ . 1 . 2]"
1 11 SER 0.088 0.016 14 0 "[ . 1 . 2]"
1 18 THR 0.295 0.031 9 0 "[ . 1 . 2]"
1 20 ILE 0.044 0.012 11 0 "[ . 1 . 2]"
1 22 VAL 0.352 0.039 9 0 "[ . 1 . 2]"
1 24 MET 0.164 0.077 17 0 "[ . 1 . 2]"
1 64 LYS 0.035 0.012 17 0 "[ . 1 . 2]"
1 66 VAL 0.365 0.039 9 0 "[ . 1 . 2]"
1 67 GLY 0.146 0.041 9 0 "[ . 1 . 2]"
1 68 PHE 0.337 0.036 19 0 "[ . 1 . 2]"
1 69 VAL 0.181 0.026 11 0 "[ . 1 . 2]"
1 70 VAL 0.112 0.024 10 0 "[ . 1 . 2]"
1 71 VAL 0.086 0.016 14 0 "[ . 1 . 2]"
1 72 ASN 0.215 0.070 9 0 "[ . 1 . 2]"
1 73 ALA 0.002 0.002 15 0 "[ . 1 . 2]"
1 77 LEU 0.215 0.070 9 0 "[ . 1 . 2]"
1 78 MET 0.344 0.078 15 0 "[ . 1 . 2]"
1 79 SER 0.112 0.024 10 0 "[ . 1 . 2]"
1 80 VAL 0.129 0.032 9 0 "[ . 1 . 2]"
1 81 SER 0.337 0.036 19 0 "[ . 1 . 2]"
1 83 SER 0.332 0.039 9 0 "[ . 1 . 2]"
1 106 LYS 0.269 0.078 15 0 "[ . 1 . 2]"
1 108 GLU 0.162 0.021 9 0 "[ . 1 . 2]"
1 110 ASP 0.043 0.032 9 0 "[ . 1 . 2]"
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 CYS N 1 64 LYS O . 2.700 3.000 2.912 2.752 2.980 . 0 0 "[ . 1 . 2]" 2
2 1 6 ALA H 1 22 VAL O . . 2.000 1.892 1.792 2.018 0.018 9 0 "[ . 1 . 2]" 2
3 1 6 ALA N 1 22 VAL O . 2.700 3.000 2.753 2.728 2.808 . 0 0 "[ . 1 . 2]" 2
4 1 7 MET H 1 67 GLY O . . 2.000 1.995 1.801 2.041 0.041 9 0 "[ . 1 . 2]" 2
5 1 7 MET N 1 67 GLY O . 2.700 3.000 2.922 2.753 2.984 . 0 0 "[ . 1 . 2]" 2
6 1 8 TYR H 1 20 ILE O . . 2.000 1.971 1.859 2.012 0.012 11 0 "[ . 1 . 2]" 2
7 1 8 TYR N 1 20 ILE O . 2.700 3.000 2.818 2.744 2.900 . 0 0 "[ . 1 . 2]" 2
8 1 9 ASN H 1 69 VAL O . . 2.000 1.943 1.808 2.019 0.019 5 0 "[ . 1 . 2]" 2
9 1 9 ASN N 1 69 VAL O . 2.700 3.000 2.843 2.746 2.974 . 0 0 "[ . 1 . 2]" 2
10 1 10 ILE H 1 18 THR O . . 2.000 2.014 2.004 2.031 0.031 9 0 "[ . 1 . 2]" 2
11 1 10 ILE N 1 18 THR O . 2.700 3.000 2.948 2.860 2.987 . 0 0 "[ . 1 . 2]" 2
12 1 11 SER H 1 71 VAL O . . 2.000 1.997 1.937 2.016 0.016 14 0 "[ . 1 . 2]" 2
13 1 11 SER N 1 71 VAL O . 2.700 3.000 2.792 2.743 2.864 . 0 0 "[ . 1 . 2]" 2
14 1 10 ILE O 1 18 THR H . . 2.000 1.918 1.826 2.003 0.003 1 0 "[ . 1 . 2]" 2
15 1 10 ILE O 1 18 THR N . 2.700 3.000 2.762 2.744 2.827 . 0 0 "[ . 1 . 2]" 2
16 1 6 ALA O 1 22 VAL H . . 2.000 2.015 2.003 2.039 0.039 9 0 "[ . 1 . 2]" 2
17 1 6 ALA O 1 22 VAL N . 2.700 3.000 2.952 2.834 3.006 0.006 7 0 "[ . 1 . 2]" 2
18 1 4 LEU O 1 24 MET H . . 2.000 2.007 1.986 2.077 0.077 17 0 "[ . 1 . 2]" 2
19 1 4 LEU O 1 24 MET N . . 3.000 2.925 2.752 2.991 . 0 0 "[ . 1 . 2]" 2
20 1 3 THR O 1 64 LYS H . . 2.000 1.951 1.812 2.012 0.012 17 0 "[ . 1 . 2]" 2
21 1 3 THR O 1 64 LYS N . 2.700 3.000 2.861 2.746 2.967 . 0 0 "[ . 1 . 2]" 2
22 1 5 CYS O 1 66 VAL H . . 2.000 1.911 1.789 2.012 0.012 17 0 "[ . 1 . 2]" 2
23 1 5 CYS O 1 66 VAL N . 2.700 3.000 2.783 2.736 2.933 . 0 0 "[ . 1 . 2]" 2
24 1 68 PHE H 1 81 SER O . . 2.000 1.915 1.795 2.019 0.019 9 0 "[ . 1 . 2]" 2
25 1 68 PHE N 1 81 SER O . 2.700 3.000 2.781 2.738 2.944 . 0 0 "[ . 1 . 2]" 2
26 1 7 MET O 1 69 VAL H . . 2.000 1.989 1.794 2.026 0.026 11 0 "[ . 1 . 2]" 2
27 1 7 MET O 1 69 VAL N . 2.700 3.000 2.909 2.766 2.960 . 0 0 "[ . 1 . 2]" 2
28 1 70 VAL H 1 79 SER O . . 2.000 1.924 1.794 2.012 0.012 9 0 "[ . 1 . 2]" 2
29 1 70 VAL N 1 79 SER O . 2.700 3.000 2.769 2.733 2.917 . 0 0 "[ . 1 . 2]" 2
30 1 72 ASN H 1 77 LEU O . . 2.000 1.955 1.805 2.070 0.070 9 0 "[ . 1 . 2]" 2
31 1 72 ASN N 1 77 LEU O . 2.700 3.000 2.896 2.748 3.019 0.019 9 0 "[ . 1 . 2]" 2
32 1 11 SER O 1 73 ALA H . . 2.000 1.880 1.798 2.000 0.002 15 0 "[ . 1 . 2]" 2
33 1 11 SER O 1 73 ALA N . 2.700 3.000 2.807 2.746 2.932 . 0 0 "[ . 1 . 2]" 2
34 1 72 ASN O 1 77 LEU H . . 2.000 1.975 1.833 2.023 0.023 17 0 "[ . 1 . 2]" 2
35 1 72 ASN O 1 77 LEU N . 2.700 3.000 2.867 2.759 2.954 . 0 0 "[ . 1 . 2]" 2
36 1 78 MET H 1 106 LYS O . . 2.000 1.963 1.796 2.078 0.078 15 0 "[ . 1 . 2]" 2
37 1 78 MET N 1 106 LYS O . 2.700 3.000 2.829 2.745 3.050 0.050 15 0 "[ . 1 . 2]" 2
38 1 70 VAL O 1 79 SER H . . 2.000 1.910 1.798 2.024 0.024 10 0 "[ . 1 . 2]" 2
39 1 70 VAL O 1 79 SER N . 2.700 3.000 2.849 2.743 2.989 . 0 0 "[ . 1 . 2]" 2
40 1 80 VAL H 1 108 GLU O . . 2.000 1.957 1.798 2.021 0.021 9 0 "[ . 1 . 2]" 2
41 1 80 VAL N 1 108 GLU O . 2.700 3.000 2.863 2.748 2.978 . 0 0 "[ . 1 . 2]" 2
42 1 68 PHE O 1 81 SER H . . 2.000 2.007 1.847 2.036 0.036 19 0 "[ . 1 . 2]" 2
43 1 68 PHE O 1 81 SER N . 2.700 3.000 2.863 2.742 2.967 . 0 0 "[ . 1 . 2]" 2
44 1 66 VAL O 1 83 SER H . . 2.000 2.017 1.999 2.039 0.039 9 0 "[ . 1 . 2]" 2
45 1 66 VAL O 1 83 SER N . 2.700 3.000 2.833 2.742 2.983 . 0 0 "[ . 1 . 2]" 2
46 1 78 MET O 1 108 GLU H . . 2.000 1.968 1.811 2.017 0.017 16 0 "[ . 1 . 2]" 2
47 1 78 MET O 1 108 GLU N . 2.700 3.000 2.798 2.739 2.949 . 0 0 "[ . 1 . 2]" 2
48 1 80 VAL O 1 110 ASP H . . 2.000 1.967 1.798 2.032 0.032 9 0 "[ . 1 . 2]" 2
49 1 80 VAL O 1 110 ASP N . 2.700 3.000 2.821 2.746 2.919 . 0 0 "[ . 1 . 2]" 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 2
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
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 LEU O 1 25 ASP N . 2.700 . 4.961 4.747 5.174 . 0 0 "[ . 1 . 2]" 3
2 1 101 LYS O 1 105 PHE N . 2.700 . 3.627 2.788 4.246 . 0 0 "[ . 1 . 2]" 3
stop_
save_