NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
540253 |
2lom   |
18217 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lom
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 153
_Distance_constraint_stats_list.Viol_count 228
_Distance_constraint_stats_list.Viol_total 94.819
_Distance_constraint_stats_list.Viol_max 0.202
_Distance_constraint_stats_list.Viol_rms 0.0113
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0015
_Distance_constraint_stats_list.Viol_average_violations_only 0.0208
_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 4 ASP 0.095 0.095 19 0 "[ . 1 . 2]"
1 5 THR 0.005 0.002 5 0 "[ . 1 . 2]"
1 6 GLY 0.202 0.202 18 0 "[ . 1 . 2]"
1 7 VAL 0.003 0.003 18 0 "[ . 1 . 2]"
1 8 SER 0.021 0.011 19 0 "[ . 1 . 2]"
1 9 LEU 0.009 0.007 18 0 "[ . 1 . 2]"
1 11 SER 0.002 0.001 10 0 "[ . 1 . 2]"
1 16 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 SER 0.007 0.003 18 0 "[ . 1 . 2]"
1 20 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ILE 0.014 0.006 7 0 "[ . 1 . 2]"
1 22 ARG 0.000 0.000 4 0 "[ . 1 . 2]"
1 24 ALA 0.332 0.095 19 0 "[ . 1 . 2]"
1 29 PHE 1.943 0.147 15 0 "[ . 1 . 2]"
1 30 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 VAL 0.175 0.034 15 0 "[ . 1 . 2]"
1 33 GLY 0.097 0.009 7 0 "[ . 1 . 2]"
1 34 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ALA 0.706 0.202 18 0 "[ . 1 . 2]"
1 39 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 TYR 0.030 0.010 19 0 "[ . 1 . 2]"
1 44 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 LEU 0.213 0.020 11 0 "[ . 1 . 2]"
1 46 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 SER 0.173 0.027 16 0 "[ . 1 . 2]"
1 51 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ASN 0.007 0.003 19 0 "[ . 1 . 2]"
1 54 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LYS 0.002 0.002 10 0 "[ . 1 . 2]"
1 56 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 SER 0.015 0.006 8 0 "[ . 1 . 2]"
1 58 ILE 0.002 0.002 4 0 "[ . 1 . 2]"
1 60 LEU 0.007 0.005 12 0 "[ . 1 . 2]"
1 64 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ALA 0.293 0.036 16 0 "[ . 1 . 2]"
1 68 GLN 0.100 0.031 16 0 "[ . 1 . 2]"
1 69 GLY 0.041 0.008 7 0 "[ . 1 . 2]"
1 70 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 VAL 2.840 0.200 19 0 "[ . 1 . 2]"
1 72 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 GLY 0.547 0.092 17 0 "[ . 1 . 2]"
1 74 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 THR 0.074 0.025 16 0 "[ . 1 . 2]"
1 77 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLY 0.084 0.027 16 0 "[ . 1 . 2]"
1 80 GLY 0.056 0.015 7 0 "[ . 1 . 2]"
1 81 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 SER 0.827 0.092 17 0 "[ . 1 . 2]"
1 83 MET 0.066 0.016 20 0 "[ . 1 . 2]"
1 86 GLU 0.006 0.006 8 0 "[ . 1 . 2]"
1 87 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 TRP 0.486 0.200 19 0 "[ . 1 . 2]"
1 89 ALA 0.001 0.001 9 0 "[ . 1 . 2]"
1 90 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 LYS 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 ASP H 1 24 ALA CB . 18.900 24.900 21.855 19.483 24.995 0.095 19 0 "[ . 1 . 2]" 1
2 1 4 ASP H 1 38 ALA CB . 23.200 29.200 27.081 25.005 28.191 . 0 0 "[ . 1 . 2]" 1
3 1 4 ASP H 1 82 SER CB . 12.300 18.300 14.607 12.304 17.721 . 0 0 "[ . 1 . 2]" 1
4 1 5 THR H 1 38 ALA CB . 23.900 29.900 26.649 24.683 29.073 . 0 0 "[ . 1 . 2]" 1
5 1 5 THR H 1 71 VAL CB . 20.400 26.400 24.833 20.761 26.401 0.001 8 0 "[ . 1 . 2]" 1
6 1 5 THR H 1 82 SER CB . 15.200 21.200 15.775 15.198 16.767 0.002 5 0 "[ . 1 . 2]" 1
7 1 6 GLY H 1 24 ALA CB . 17.400 25.400 21.302 18.169 24.105 . 0 0 "[ . 1 . 2]" 1
8 1 6 GLY H 1 38 ALA CB . 22.800 28.800 26.576 23.968 29.002 0.202 18 0 "[ . 1 . 2]" 1
9 1 6 GLY H 1 82 SER CB . 13.700 19.700 17.220 14.442 19.254 . 0 0 "[ . 1 . 2]" 1
10 1 7 VAL H 1 71 VAL CB . 21.900 27.900 26.365 21.897 27.892 0.003 18 0 "[ . 1 . 2]" 1
11 1 8 SER H 1 24 ALA CB . 13.800 21.800 21.469 20.690 21.799 . 0 0 "[ . 1 . 2]" 1
12 1 8 SER H 1 71 VAL CB . 20.400 26.400 24.896 22.642 26.391 . 0 0 "[ . 1 . 2]" 1
13 1 8 SER H 1 82 SER CB . 17.600 23.600 19.416 17.589 22.781 0.011 19 0 "[ . 1 . 2]" 1
14 1 9 LEU H 1 38 ALA CB . 22.400 28.400 24.533 23.398 26.232 . 0 0 "[ . 1 . 2]" 1
15 1 9 LEU H 1 71 VAL CB . 19.300 25.300 23.861 21.266 25.307 0.007 18 0 "[ . 1 . 2]" 1
16 1 11 SER H 1 38 ALA CB . 19.500 25.500 22.245 19.584 25.396 . 0 0 "[ . 1 . 2]" 1
17 1 11 SER H 1 71 VAL CB . 18.000 24.000 22.639 20.572 23.992 . 0 0 "[ . 1 . 2]" 1
18 1 11 SER H 1 82 SER CB . 20.700 26.700 22.698 20.699 26.701 0.001 10 0 "[ . 1 . 2]" 1
19 1 16 GLN H 1 38 ALA CB . 18.300 24.300 20.874 18.300 22.660 . 0 0 "[ . 1 . 2]" 1
20 1 16 GLN H 1 71 VAL CB . 23.100 29.100 26.914 24.201 29.097 . 0 0 "[ . 1 . 2]" 1
21 1 17 GLY H 1 71 VAL CB . 22.900 28.900 26.743 24.586 28.487 . 0 0 "[ . 1 . 2]" 1
22 1 18 SER H 1 71 VAL CB . 22.900 28.900 27.020 23.900 28.903 0.003 19 0 "[ . 1 . 2]" 1
23 1 18 SER H 1 82 SER CB . 17.200 23.200 21.809 19.589 23.203 0.003 18 0 "[ . 1 . 2]" 1
24 1 20 LEU H 1 71 VAL CB . 23.700 29.700 25.384 24.691 27.713 . 0 0 "[ . 1 . 2]" 1
25 1 21 ILE H 1 24 ALA CB . . 12.000 10.158 7.030 11.896 . 0 0 "[ . 1 . 2]" 1
26 1 21 ILE H 1 38 ALA CB . . 23.000 18.285 15.754 20.279 . 0 0 "[ . 1 . 2]" 1
27 1 21 ILE H 1 71 VAL CB . 20.400 26.400 25.172 23.030 26.403 0.003 16 0 "[ . 1 . 2]" 1
28 1 21 ILE H 1 82 SER CB . 14.500 20.500 19.578 17.614 20.506 0.006 7 0 "[ . 1 . 2]" 1
29 1 22 ARG H 1 38 ALA CB . 16.700 22.700 17.955 16.700 19.502 0.000 4 0 "[ . 1 . 2]" 1
30 1 24 ALA CB 1 29 PHE H . . 12.000 9.789 8.919 10.011 . 0 0 "[ . 1 . 2]" 1
31 1 24 ALA CB 1 33 GLY H . 9.900 15.900 11.207 10.510 11.738 . 0 0 "[ . 1 . 2]" 1
32 1 24 ALA CB 1 36 GLY H . 9.600 15.600 11.915 10.638 12.579 . 0 0 "[ . 1 . 2]" 1
33 1 24 ALA H 1 38 ALA CB . 8.700 14.700 14.607 13.920 14.722 0.022 18 0 "[ . 1 . 2]" 1
34 1 24 ALA CB 1 43 TYR H . 16.800 22.800 20.332 19.326 20.762 . 0 0 "[ . 1 . 2]" 1
35 1 24 ALA CB 1 44 GLY H . 17.800 23.800 22.634 21.541 23.134 . 0 0 "[ . 1 . 2]" 1
36 1 24 ALA CB 1 45 LEU H . 18.300 24.300 24.135 23.289 24.309 0.009 10 0 "[ . 1 . 2]" 1
37 1 24 ALA CB 1 69 GLY H . 22.600 28.600 26.571 26.196 26.711 . 0 0 "[ . 1 . 2]" 1
38 1 24 ALA H 1 71 VAL CB . 23.200 29.200 23.939 23.193 24.968 0.007 20 0 "[ . 1 . 2]" 1
39 1 24 ALA CB 1 76 THR H . 20.500 26.500 20.944 20.498 21.478 0.002 9 0 "[ . 1 . 2]" 1
40 1 24 ALA CB 1 80 GLY H . 19.500 25.500 19.680 19.485 20.200 0.015 7 0 "[ . 1 . 2]" 1
41 1 24 ALA CB 1 81 TYR H . 16.800 22.800 21.382 20.906 22.114 . 0 0 "[ . 1 . 2]" 1
42 1 24 ALA CB 1 86 GLU H . 20.100 26.100 23.604 20.739 26.106 0.006 8 0 "[ . 1 . 2]" 1
43 1 24 ALA CB 1 87 PHE H . 21.500 27.500 23.852 22.179 26.301 . 0 0 "[ . 1 . 2]" 1
44 1 24 ALA CB 1 89 ALA H . 20.100 26.100 23.195 20.099 25.825 0.001 9 0 "[ . 1 . 2]" 1
45 1 24 ALA CB 1 90 LYS H . 19.700 25.700 22.618 20.363 25.233 . 0 0 "[ . 1 . 2]" 1
46 1 24 ALA CB 1 92 LYS H . 19.500 25.500 22.942 19.590 25.161 . 0 0 "[ . 1 . 2]" 1
47 1 29 PHE H 1 38 ALA CB . 14.300 20.300 14.899 14.645 15.220 . 0 0 "[ . 1 . 2]" 1
48 1 29 PHE H 1 71 VAL CB . 12.700 18.700 18.797 18.766 18.847 0.147 15 0 "[ . 1 . 2]" 1
49 1 29 PHE H 1 82 SER CB . 10.100 16.100 11.963 11.568 12.309 . 0 0 "[ . 1 . 2]" 1
50 1 30 VAL H 1 38 ALA CB . 11.600 17.600 13.327 13.081 13.597 . 0 0 "[ . 1 . 2]" 1
51 1 30 VAL H 1 71 VAL CB . 18.800 24.800 18.912 18.885 18.943 . 0 0 "[ . 1 . 2]" 1
52 1 32 VAL H 1 38 ALA CB . 9.600 15.600 10.299 10.009 10.609 . 0 0 "[ . 1 . 2]" 1
53 1 32 VAL H 1 71 VAL CB . 16.200 22.200 16.316 16.166 16.657 0.034 15 0 "[ . 1 . 2]" 1
54 1 32 VAL H 1 82 SER CB . 8.200 14.200 13.641 13.253 14.008 . 0 0 "[ . 1 . 2]" 1
55 1 33 GLY H 1 38 ALA CB . . 12.000 9.423 9.251 9.701 . 0 0 "[ . 1 . 2]" 1
56 1 33 GLY H 1 82 SER CB . 8.100 14.100 14.105 14.101 14.109 0.009 7 0 "[ . 1 . 2]" 1
57 1 34 ILE H 1 38 ALA CB . 6.300 12.300 7.636 7.435 7.874 . 0 0 "[ . 1 . 2]" 1
58 1 34 ILE H 1 71 VAL CB . 14.200 20.200 15.504 15.206 15.921 . 0 0 "[ . 1 . 2]" 1
59 1 35 ALA H 1 38 ALA CB . . 12.000 5.784 5.552 6.091 . 0 0 "[ . 1 . 2]" 1
60 1 35 ALA H 1 71 VAL CB . 12.300 18.300 15.725 15.464 16.043 . 0 0 "[ . 1 . 2]" 1
61 1 36 GLY H 1 38 ALA CB . . 12.000 6.002 5.786 6.375 . 0 0 "[ . 1 . 2]" 1
62 1 36 GLY H 1 57 SER CB . 21.500 27.500 24.247 23.428 24.901 . 0 0 "[ . 1 . 2]" 1
63 1 37 PHE H 1 38 ALA CB . . 12.000 5.135 5.028 5.332 . 0 0 "[ . 1 . 2]" 1
64 1 37 PHE H 1 71 VAL CB . 7.200 13.200 11.859 11.495 12.399 . 0 0 "[ . 1 . 2]" 1
65 1 38 ALA CB 1 39 ALA H . . 12.000 2.878 2.848 3.080 . 0 0 "[ . 1 . 2]" 1
66 1 38 ALA CB 1 40 ILE H . . 12.000 5.324 5.227 5.507 . 0 0 "[ . 1 . 2]" 1
67 1 38 ALA CB 1 42 ALA H . . 12.000 5.434 5.348 5.483 . 0 0 "[ . 1 . 2]" 1
68 1 38 ALA CB 1 43 TYR H . . 12.000 7.673 7.537 7.760 . 0 0 "[ . 1 . 2]" 1
69 1 38 ALA CB 1 44 GLY H . . 12.000 9.501 9.203 9.637 . 0 0 "[ . 1 . 2]" 1
70 1 38 ALA CB 1 45 LEU H . . 12.000 10.049 9.904 10.223 . 0 0 "[ . 1 . 2]" 1
71 1 38 ALA CB 1 46 TYR H . . 12.000 11.413 11.268 11.599 . 0 0 "[ . 1 . 2]" 1
72 1 38 ALA CB 1 47 LYS H . . 13.700 13.203 13.043 13.390 . 0 0 "[ . 1 . 2]" 1
73 1 38 ALA CB 1 48 LEU H . 13.300 19.300 14.678 14.478 14.916 . 0 0 "[ . 1 . 2]" 1
74 1 38 ALA CB 1 49 LYS H . 15.600 21.600 16.533 16.186 16.972 . 0 0 "[ . 1 . 2]" 1
75 1 38 ALA CB 1 50 SER H . 20.100 26.100 20.996 20.712 21.462 . 0 0 "[ . 1 . 2]" 1
76 1 38 ALA CB 1 51 ARG H . 20.300 26.300 21.395 20.347 23.168 . 0 0 "[ . 1 . 2]" 1
77 1 38 ALA CB 1 52 GLY H . 18.100 24.100 21.938 19.192 24.020 . 0 0 "[ . 1 . 2]" 1
78 1 38 ALA CB 1 53 ASN H . 16.500 22.500 21.457 19.313 22.503 0.003 19 0 "[ . 1 . 2]" 1
79 1 38 ALA CB 1 54 THR H . 16.300 22.300 21.439 18.804 22.299 . 0 0 "[ . 1 . 2]" 1
80 1 38 ALA CB 1 55 LYS H . 19.600 25.600 20.486 19.598 22.083 0.002 10 0 "[ . 1 . 2]" 1
81 1 38 ALA CB 1 57 SER H . 20.500 26.500 21.848 20.511 23.526 . 0 0 "[ . 1 . 2]" 1
82 1 38 ALA CB 1 58 ILE H . 17.300 23.300 22.216 19.845 23.302 0.002 4 0 "[ . 1 . 2]" 1
83 1 38 ALA CB 1 60 LEU H . 20.100 26.100 24.075 21.274 26.105 0.005 12 0 "[ . 1 . 2]" 1
84 1 38 ALA CB 1 64 ARG H . 15.600 21.600 17.531 16.936 18.820 . 0 0 "[ . 1 . 2]" 1
85 1 38 ALA CB 1 65 VAL H . 12.900 18.900 15.549 15.188 15.940 . 0 0 "[ . 1 . 2]" 1
86 1 38 ALA CB 1 66 ALA H . 11.100 17.100 17.114 17.106 17.136 0.036 16 0 "[ . 1 . 2]" 1
87 1 38 ALA CB 1 68 GLN H . 14.800 20.800 14.838 14.769 15.038 0.031 16 0 "[ . 1 . 2]" 1
88 1 38 ALA CB 1 70 PHE H . 16.100 22.100 17.120 16.774 17.556 . 0 0 "[ . 1 . 2]" 1
89 1 38 ALA CB 1 71 VAL H . 10.600 16.600 16.201 15.778 16.522 . 0 0 "[ . 1 . 2]" 1
90 1 38 ALA CB 1 72 VAL H . 10.700 16.700 14.224 13.631 14.623 . 0 0 "[ . 1 . 2]" 1
91 1 38 ALA CB 1 74 ALA H . 13.000 19.000 17.879 17.325 18.384 . 0 0 "[ . 1 . 2]" 1
92 1 39 ALA H 1 71 VAL CB . 10.500 16.500 13.104 12.759 13.530 . 0 0 "[ . 1 . 2]" 1
93 1 40 ILE H 1 71 VAL CB . 8.200 14.200 10.278 9.866 10.672 . 0 0 "[ . 1 . 2]" 1
94 1 41 VAL H 1 71 VAL CB . . 12.000 10.777 10.153 11.567 . 0 0 "[ . 1 . 2]" 1
95 1 43 TYR H 1 57 SER CB . 12.200 18.200 16.470 15.591 18.096 . 0 0 "[ . 1 . 2]" 1
96 1 43 TYR H 1 71 VAL CB . . 12.000 11.762 11.089 12.010 0.010 19 0 "[ . 1 . 2]" 1
97 1 44 GLY H 1 82 SER CB . 17.500 23.500 22.790 21.363 23.032 . 0 0 "[ . 1 . 2]" 1
98 1 45 LEU H 1 57 SER CB . 9.100 15.100 14.711 13.955 15.106 0.006 15 0 "[ . 1 . 2]" 1
99 1 45 LEU H 1 82 SER CB . 19.600 25.600 25.551 24.479 25.620 0.020 11 0 "[ . 1 . 2]" 1
100 1 46 TYR H 1 71 VAL CB . 12.400 18.400 13.864 13.103 14.384 . 0 0 "[ . 1 . 2]" 1
101 1 47 LYS H 1 71 VAL CB . 9.800 15.800 12.666 11.618 13.130 . 0 0 "[ . 1 . 2]" 1
102 1 48 LEU H 1 71 VAL CB . 9.500 15.500 13.175 11.780 14.040 . 0 0 "[ . 1 . 2]" 1
103 1 49 LYS H 1 71 VAL CB . 13.700 19.700 16.235 14.796 17.155 . 0 0 "[ . 1 . 2]" 1
104 1 50 SER CB 1 51 ARG H . . 12.000 3.466 2.756 4.037 . 0 0 "[ . 1 . 2]" 1
105 1 50 SER CB 1 52 GLY H . . 12.000 5.807 4.795 6.696 . 0 0 "[ . 1 . 2]" 1
106 1 50 SER CB 1 53 ASN H . . 12.000 8.803 7.034 9.793 . 0 0 "[ . 1 . 2]" 1
107 1 50 SER CB 1 54 THR H . . 12.000 8.622 6.184 10.743 . 0 0 "[ . 1 . 2]" 1
108 1 50 SER CB 1 55 LYS H . . 12.000 9.790 7.886 11.736 . 0 0 "[ . 1 . 2]" 1
109 1 50 SER CB 1 56 MET H . . 12.000 9.860 7.158 11.999 . 0 0 "[ . 1 . 2]" 1
110 1 50 SER CB 1 64 ARG H . 10.500 16.500 14.240 13.225 15.310 . 0 0 "[ . 1 . 2]" 1
111 1 50 SER CB 1 66 ALA H . 11.900 17.900 17.507 17.144 17.903 0.003 12 0 "[ . 1 . 2]" 1
112 1 50 SER CB 1 69 GLY H . 19.800 25.800 19.899 19.792 20.451 0.008 7 0 "[ . 1 . 2]" 1
113 1 50 SER H 1 71 VAL CB . 18.600 24.600 19.267 18.576 19.920 0.024 19 0 "[ . 1 . 2]" 1
114 1 50 SER CB 1 78 GLY H . 22.700 28.700 28.618 28.101 28.727 0.027 16 0 "[ . 1 . 2]" 1
115 1 52 GLY H 1 71 VAL CB . 15.600 21.600 20.464 18.592 21.534 . 0 0 "[ . 1 . 2]" 1
116 1 53 ASN H 1 57 SER CB . 12.400 18.400 13.096 12.397 14.213 0.003 7 0 "[ . 1 . 2]" 1
117 1 53 ASN H 1 71 VAL CB . 19.700 25.700 19.976 19.699 20.877 0.001 19 0 "[ . 1 . 2]" 1
118 1 54 THR H 1 57 SER CB . 8.300 14.300 10.165 8.522 12.660 . 0 0 "[ . 1 . 2]" 1
119 1 54 THR H 1 71 VAL CB . 12.800 18.800 17.622 15.923 18.645 . 0 0 "[ . 1 . 2]" 1
120 1 55 LYS H 1 71 VAL CB . 9.500 15.500 14.372 12.863 15.490 . 0 0 "[ . 1 . 2]" 1
121 1 55 LYS H 1 82 SER CB . 22.400 28.400 26.310 24.386 28.324 . 0 0 "[ . 1 . 2]" 1
122 1 56 MET H 1 57 SER CB . . 12.000 5.176 4.066 6.293 . 0 0 "[ . 1 . 2]" 1
123 1 57 SER H 1 71 VAL CB . 7.200 13.200 12.038 11.123 13.201 0.001 18 0 "[ . 1 . 2]" 1
124 1 57 SER CB 1 76 THR H . 20.700 26.700 21.246 20.694 22.277 0.006 8 0 "[ . 1 . 2]" 1
125 1 57 SER CB 1 78 GLY H . 17.600 23.600 22.449 21.662 23.320 . 0 0 "[ . 1 . 2]" 1
126 1 57 SER H 1 82 SER CB . 22.700 28.700 26.313 25.341 26.703 . 0 0 "[ . 1 . 2]" 1
127 1 58 ILE H 1 71 VAL CB . 10.800 16.800 11.509 10.802 13.372 . 0 0 "[ . 1 . 2]" 1
128 1 58 ILE H 1 82 SER CB . 21.600 27.600 26.571 24.880 27.587 . 0 0 "[ . 1 . 2]" 1
129 1 60 LEU H 1 71 VAL CB . 9.600 15.600 13.013 10.550 15.381 . 0 0 "[ . 1 . 2]" 1
130 1 64 ARG H 1 71 VAL CB . 7.800 13.800 10.668 9.071 11.723 . 0 0 "[ . 1 . 2]" 1
131 1 65 VAL H 1 71 VAL CB . . 12.400 10.489 10.064 10.924 . 0 0 "[ . 1 . 2]" 1
132 1 66 ALA H 1 71 VAL CB . . 12.000 9.675 9.315 9.992 . 0 0 "[ . 1 . 2]" 1
133 1 68 GLN H 1 71 VAL CB . . 12.000 5.999 5.643 6.290 . 0 0 "[ . 1 . 2]" 1
134 1 69 GLY H 1 71 VAL CB . . 12.000 6.108 5.773 6.364 . 0 0 "[ . 1 . 2]" 1
135 1 69 GLY H 1 82 SER CB . 19.900 25.900 21.174 20.793 21.589 . 0 0 "[ . 1 . 2]" 1
136 1 70 PHE H 1 71 VAL CB . . 12.000 5.201 5.088 5.280 . 0 0 "[ . 1 . 2]" 1
137 1 71 VAL CB 1 72 VAL H . . 12.000 3.069 2.812 3.266 . 0 0 "[ . 1 . 2]" 1
138 1 71 VAL CB 1 73 GLY H . . 12.000 5.194 4.537 5.767 . 0 0 "[ . 1 . 2]" 1
139 1 71 VAL CB 1 75 MET H . . 12.000 5.035 4.771 5.289 . 0 0 "[ . 1 . 2]" 1
140 1 71 VAL CB 1 76 THR H . 7.200 13.200 7.327 7.175 7.660 0.025 16 0 "[ . 1 . 2]" 1
141 1 71 VAL CB 1 77 VAL H . 6.800 12.800 9.232 8.953 9.429 . 0 0 "[ . 1 . 2]" 1
142 1 71 VAL CB 1 78 GLY H . . 12.000 9.608 9.369 9.933 . 0 0 "[ . 1 . 2]" 1
143 1 71 VAL CB 1 83 MET H . 12.400 18.400 16.678 14.537 18.416 0.016 20 0 "[ . 1 . 2]" 1
144 1 71 VAL CB 1 86 GLU H . 19.900 25.900 22.080 20.101 25.901 0.001 3 0 "[ . 1 . 2]" 1
145 1 71 VAL CB 1 87 PHE H . 18.200 24.200 22.363 19.030 24.173 . 0 0 "[ . 1 . 2]" 1
146 1 71 VAL CB 1 88 TRP H . 17.800 23.800 22.251 18.517 24.000 0.200 19 0 "[ . 1 . 2]" 1
147 1 71 VAL CB 1 89 ALA H . 18.900 24.900 22.828 19.322 24.606 . 0 0 "[ . 1 . 2]" 1
148 1 71 VAL CB 1 90 LYS H . 18.500 24.500 22.788 20.677 24.479 . 0 0 "[ . 1 . 2]" 1
149 1 71 VAL CB 1 92 LYS H . 23.400 29.400 26.129 23.869 29.259 . 0 0 "[ . 1 . 2]" 1
150 1 73 GLY H 1 82 SER CB . 15.700 21.700 15.792 15.608 16.169 0.092 17 0 "[ . 1 . 2]" 1
151 1 78 GLY H 1 82 SER CB . . 12.000 8.481 7.824 8.971 . 0 0 "[ . 1 . 2]" 1
152 1 80 GLY H 1 82 SER CB . . 12.000 6.268 5.689 6.682 . 0 0 "[ . 1 . 2]" 1
153 1 81 TYR H 1 82 SER CB . . 12.000 5.138 5.016 5.262 . 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 69
_Distance_constraint_stats_list.Viol_count 15
_Distance_constraint_stats_list.Viol_total 2.198
_Distance_constraint_stats_list.Viol_max 0.015
_Distance_constraint_stats_list.Viol_rms 0.0009
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_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 3 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 SER 0.001 0.001 18 0 "[ . 1 . 2]"
1 9 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ALA 0.066 0.015 18 0 "[ . 1 . 2]"
1 29 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLY 0.042 0.015 16 0 "[ . 1 . 2]"
1 38 ALA 0.001 0.001 6 0 "[ . 1 . 2]"
1 50 SER 0.042 0.015 16 0 "[ . 1 . 2]"
1 51 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 SER 0.001 0.001 18 0 "[ . 1 . 2]"
1 58 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 GLY 0.066 0.015 18 0 "[ . 1 . 2]"
1 80 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 TRP 0.001 0.001 6 0 "[ . 1 . 2]"
1 89 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 LYS 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 3 THR H 1 38 ALA CB . 24.600 . 28.774 25.916 31.384 . 0 0 "[ . 1 . 2]" 2
2 1 3 THR H 1 50 SER CB . 25.000 . 37.127 33.609 41.193 . 0 0 "[ . 1 . 2]" 2
3 1 3 THR H 1 57 SER CB . 24.500 . 33.261 28.780 38.676 . 0 0 "[ . 1 . 2]" 2
4 1 4 ASP H 1 50 SER CB . 24.200 . 35.693 32.041 40.054 . 0 0 "[ . 1 . 2]" 2
5 1 4 ASP H 1 57 SER CB . 25.000 . 31.885 27.013 36.657 . 0 0 "[ . 1 . 2]" 2
6 1 5 THR H 1 50 SER CB . 24.400 . 35.186 29.766 41.270 . 0 0 "[ . 1 . 2]" 2
7 1 5 THR H 1 57 SER CB . 25.000 . 31.877 27.294 36.679 . 0 0 "[ . 1 . 2]" 2
8 1 6 GLY H 1 50 SER CB . 25.000 . 34.892 31.104 42.509 . 0 0 "[ . 1 . 2]" 2
9 1 6 GLY H 1 57 SER CB . 25.000 . 32.068 28.522 38.278 . 0 0 "[ . 1 . 2]" 2
10 1 7 VAL H 1 38 ALA CB . 24.800 . 26.786 25.155 28.234 . 0 0 "[ . 1 . 2]" 2
11 1 8 SER H 1 38 ALA CB . 24.600 . 25.111 24.606 25.751 . 0 0 "[ . 1 . 2]" 2
12 1 8 SER H 1 50 SER CB . 25.000 . 31.935 27.727 43.529 . 0 0 "[ . 1 . 2]" 2
13 1 8 SER H 1 57 SER CB . 25.000 . 30.034 24.999 40.229 0.001 18 0 "[ . 1 . 2]" 2
14 1 9 LEU H 1 50 SER CB . 25.000 . 29.825 25.013 41.127 . 0 0 "[ . 1 . 2]" 2
15 1 17 GLY H 1 50 SER CB . 25.000 . 32.129 27.206 41.188 . 0 0 "[ . 1 . 2]" 2
16 1 17 GLY H 1 57 SER CB . 25.000 . 32.602 27.992 39.692 . 0 0 "[ . 1 . 2]" 2
17 1 18 SER H 1 50 SER CB . 25.000 . 33.505 28.981 38.713 . 0 0 "[ . 1 . 2]" 2
18 1 18 SER H 1 57 SER CB . 25.000 . 33.768 28.866 37.662 . 0 0 "[ . 1 . 2]" 2
19 1 21 ILE H 1 50 SER CB . 25.000 . 33.254 28.325 40.724 . 0 0 "[ . 1 . 2]" 2
20 1 21 ILE H 1 57 SER CB . 25.000 . 33.255 28.188 39.905 . 0 0 "[ . 1 . 2]" 2
21 1 24 ALA CB 1 50 SER H . 25.000 . 34.220 33.343 34.700 . 0 0 "[ . 1 . 2]" 2
22 1 24 ALA H 1 50 SER CB . 25.000 . 34.115 32.660 35.572 . 0 0 "[ . 1 . 2]" 2
23 1 24 ALA CB 1 51 ARG H . 25.000 . 33.654 31.784 36.061 . 0 0 "[ . 1 . 2]" 2
24 1 24 ALA CB 1 52 GLY H . 25.000 . 33.238 31.465 35.820 . 0 0 "[ . 1 . 2]" 2
25 1 24 ALA CB 1 53 ASN H . 25.000 . 31.494 29.178 33.426 . 0 0 "[ . 1 . 2]" 2
26 1 24 ALA CB 1 54 THR H . 25.000 . 31.496 28.090 33.117 . 0 0 "[ . 1 . 2]" 2
27 1 24 ALA CB 1 55 LYS H . 25.000 . 30.475 27.970 33.197 . 0 0 "[ . 1 . 2]" 2
28 1 24 ALA CB 1 56 MET H . 25.000 . 32.054 29.851 34.271 . 0 0 "[ . 1 . 2]" 2
29 1 24 ALA CB 1 57 SER H . 25.000 . 32.772 31.007 33.850 . 0 0 "[ . 1 . 2]" 2
30 1 24 ALA H 1 57 SER CB . 25.000 . 34.051 31.787 36.200 . 0 0 "[ . 1 . 2]" 2
31 1 24 ALA CB 1 58 ILE H . 25.000 . 33.522 29.611 35.092 . 0 0 "[ . 1 . 2]" 2
32 1 24 ALA CB 1 64 ARG H . 25.000 . 30.985 29.900 32.344 . 0 0 "[ . 1 . 2]" 2
33 1 24 ALA CB 1 65 VAL H . 25.000 . 29.206 28.343 29.711 . 0 0 "[ . 1 . 2]" 2
34 1 24 ALA CB 1 66 ALA H . 25.000 . 30.013 29.345 30.259 . 0 0 "[ . 1 . 2]" 2
35 1 24 ALA CB 1 73 GLY H . 24.100 . 24.162 24.085 24.329 0.015 18 0 "[ . 1 . 2]" 2
36 1 29 PHE H 1 50 SER CB . 25.000 . 34.421 34.017 35.080 . 0 0 "[ . 1 . 2]" 2
37 1 29 PHE H 1 57 SER CB . 25.000 . 31.864 30.926 32.450 . 0 0 "[ . 1 . 2]" 2
38 1 33 GLY H 1 50 SER CB . 25.000 . 29.104 28.788 29.637 . 0 0 "[ . 1 . 2]" 2
39 1 36 GLY H 1 50 SER CB . 25.000 . 25.321 24.985 25.911 0.015 16 0 "[ . 1 . 2]" 2
40 1 38 ALA CB 1 85 ARG H . 24.100 . 27.025 24.625 29.161 . 0 0 "[ . 1 . 2]" 2
41 1 38 ALA CB 1 88 TRP H . 23.800 . 27.051 23.799 30.608 0.001 6 0 "[ . 1 . 2]" 2
42 1 38 ALA CB 1 89 ALA H . 24.000 . 26.795 24.189 29.981 . 0 0 "[ . 1 . 2]" 2
43 1 38 ALA CB 1 90 LYS H . 24.500 . 25.750 24.507 27.829 . 0 0 "[ . 1 . 2]" 2
44 1 38 ALA CB 1 92 LYS H . 25.000 . 27.001 25.006 32.250 . 0 0 "[ . 1 . 2]" 2
45 1 50 SER CB 1 80 GLY H . 25.000 . 31.813 31.243 32.391 . 0 0 "[ . 1 . 2]" 2
46 1 50 SER CB 1 81 TYR H . 25.000 . 33.108 32.624 33.365 . 0 0 "[ . 1 . 2]" 2
47 1 50 SER CB 1 82 SER H . 25.000 . 33.174 32.529 33.781 . 0 0 "[ . 1 . 2]" 2
48 1 50 SER H 1 82 SER CB . 25.000 . 33.902 32.364 34.350 . 0 0 "[ . 1 . 2]" 2
49 1 50 SER CB 1 86 GLU H . 25.000 . 40.079 37.740 45.002 . 0 0 "[ . 1 . 2]" 2
50 1 50 SER CB 1 87 PHE H . 25.000 . 40.794 38.393 42.931 . 0 0 "[ . 1 . 2]" 2
51 1 50 SER CB 1 89 ALA H . 25.000 . 41.492 38.435 44.195 . 0 0 "[ . 1 . 2]" 2
52 1 50 SER CB 1 90 LYS H . 25.000 . 41.362 37.101 43.141 . 0 0 "[ . 1 . 2]" 2
53 1 50 SER CB 1 92 LYS H . 25.000 . 44.140 35.466 48.624 . 0 0 "[ . 1 . 2]" 2
54 1 51 ARG H 1 82 SER CB . 25.000 . 33.286 31.654 35.164 . 0 0 "[ . 1 . 2]" 2
55 1 52 GLY H 1 82 SER CB . 25.000 . 32.950 31.172 34.363 . 0 0 "[ . 1 . 2]" 2
56 1 53 ASN H 1 82 SER CB . 25.000 . 30.989 29.836 33.007 . 0 0 "[ . 1 . 2]" 2
57 1 54 THR H 1 82 SER CB . 25.000 . 29.092 26.736 30.500 . 0 0 "[ . 1 . 2]" 2
58 1 56 MET H 1 82 SER CB . 25.000 . 26.670 25.006 28.251 . 0 0 "[ . 1 . 2]" 2
59 1 57 SER CB 1 80 GLY H . 25.000 . 26.338 25.685 27.344 . 0 0 "[ . 1 . 2]" 2
60 1 57 SER CB 1 81 TYR H . 25.000 . 27.103 26.199 27.997 . 0 0 "[ . 1 . 2]" 2
61 1 57 SER CB 1 82 SER H . 25.000 . 27.530 26.769 28.741 . 0 0 "[ . 1 . 2]" 2
62 1 57 SER CB 1 86 GLU H . 25.000 . 34.099 30.737 39.400 . 0 0 "[ . 1 . 2]" 2
63 1 57 SER CB 1 87 PHE H . 25.000 . 34.804 32.416 36.845 . 0 0 "[ . 1 . 2]" 2
64 1 57 SER CB 1 89 ALA H . 25.000 . 35.963 32.367 38.512 . 0 0 "[ . 1 . 2]" 2
65 1 57 SER CB 1 90 LYS H . 25.000 . 36.184 31.716 38.676 . 0 0 "[ . 1 . 2]" 2
66 1 57 SER CB 1 92 LYS H . 25.000 . 39.575 29.943 43.286 . 0 0 "[ . 1 . 2]" 2
67 1 64 ARG H 1 82 SER CB . 25.000 . 27.251 26.112 28.451 . 0 0 "[ . 1 . 2]" 2
68 1 65 VAL H 1 82 SER CB . 25.000 . 26.500 25.887 26.965 . 0 0 "[ . 1 . 2]" 2
69 1 66 ALA H 1 82 SER CB . 25.000 . 25.706 25.245 26.157 . 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 78
_Distance_constraint_stats_list.Viol_count 1219
_Distance_constraint_stats_list.Viol_total 4436.603
_Distance_constraint_stats_list.Viol_max 0.350
_Distance_constraint_stats_list.Viol_rms 0.1084
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1422
_Distance_constraint_stats_list.Viol_average_violations_only 0.1820
_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 16 GLN 14.843 0.281 16 0 "[ . 1 . 2]"
1 17 GLY 12.231 0.298 10 0 "[ . 1 . 2]"
1 18 SER 10.008 0.241 18 0 "[ . 1 . 2]"
1 19 LYS 12.053 0.281 16 0 "[ . 1 . 2]"
1 20 LEU 15.071 0.298 10 0 "[ . 1 . 2]"
1 21 ILE 11.866 0.241 7 0 "[ . 1 . 2]"
1 22 ARG 11.300 0.245 7 0 "[ . 1 . 2]"
1 29 PHE 4.579 0.241 7 0 "[ . 1 . 2]"
1 30 VAL 11.268 0.350 8 0 "[ . 1 . 2]"
1 31 PRO 6.312 0.227 7 0 "[ . 1 . 2]"
1 32 VAL 9.278 0.241 7 0 "[ . 1 . 2]"
1 33 GLY 4.794 0.277 17 0 "[ . 1 . 2]"
1 34 ILE 21.740 0.350 8 0 "[ . 1 . 2]"
1 35 ALA 6.980 0.227 7 0 "[ . 1 . 2]"
1 36 GLY 5.735 0.216 8 0 "[ . 1 . 2]"
1 37 PHE 7.510 0.277 17 0 "[ . 1 . 2]"
1 38 ALA 19.904 0.329 8 0 "[ . 1 . 2]"
1 39 ALA 0.928 0.072 18 0 "[ . 1 . 2]"
1 40 ILE 4.205 0.273 9 0 "[ . 1 . 2]"
1 41 VAL 6.485 0.286 20 0 "[ . 1 . 2]"
1 42 ALA 14.047 0.301 19 0 "[ . 1 . 2]"
1 43 TYR 0.260 0.034 18 0 "[ . 1 . 2]"
1 44 GLY 3.172 0.273 9 0 "[ . 1 . 2]"
1 45 LEU 3.766 0.286 20 0 "[ . 1 . 2]"
1 46 TYR 4.616 0.259 16 0 "[ . 1 . 2]"
1 65 VAL 10.258 0.236 12 0 "[ . 1 . 2]"
1 66 ALA 14.693 0.308 16 0 "[ . 1 . 2]"
1 67 ALA 9.453 0.303 14 0 "[ . 1 . 2]"
1 68 GLN 7.882 0.236 12 0 "[ . 1 . 2]"
1 69 GLY 18.624 0.301 16 0 "[ . 1 . 2]"
1 70 PHE 20.480 0.317 16 0 "[ . 1 . 2]"
1 71 VAL 10.555 0.303 14 0 "[ . 1 . 2]"
1 72 VAL 7.198 0.306 19 0 "[ . 1 . 2]"
1 73 GLY 18.666 0.316 12 0 "[ . 1 . 2]"
1 74 ALA 17.397 0.317 16 0 "[ . 1 . 2]"
1 75 MET 5.327 0.285 17 0 "[ . 1 . 2]"
1 76 THR 9.635 0.306 19 0 "[ . 1 . 2]"
1 77 VAL 19.934 0.316 12 0 "[ . 1 . 2]"
1 78 GLY 13.223 0.340 17 0 "[ . 1 . 2]"
1 79 MET 10.022 0.289 20 0 "[ . 1 . 2]"
1 80 GLY 5.787 0.300 9 0 "[ . 1 . 2]"
1 81 TYR 9.559 0.285 15 0 "[ . 1 . 2]"
1 82 SER 12.016 0.340 17 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 16 GLN O 1 19 LYS H . . 1.800 2.072 2.057 2.081 0.281 16 0 "[ . 1 . 2]" 3
2 1 16 GLN O 1 19 LYS N . . 2.700 2.621 2.609 2.637 . 0 0 "[ . 1 . 2]" 3
3 1 16 GLN O 1 20 LEU H . . 1.800 2.031 2.025 2.043 0.243 19 0 "[ . 1 . 2]" 3
4 1 16 GLN O 1 20 LEU N . . 2.700 2.939 2.931 2.955 0.255 19 0 "[ . 1 . 2]" 3
5 1 17 GLY O 1 20 LEU H . . 1.800 2.084 2.075 2.098 0.298 10 0 "[ . 1 . 2]" 3
6 1 17 GLY O 1 20 LEU N . . 2.700 2.602 2.584 2.611 . 0 0 "[ . 1 . 2]" 3
7 1 17 GLY O 1 21 ILE H . . 1.800 2.030 2.017 2.041 0.241 7 0 "[ . 1 . 2]" 3
8 1 17 GLY O 1 21 ILE N . . 2.700 2.798 2.750 2.829 0.129 13 0 "[ . 1 . 2]" 3
9 1 18 SER O 1 21 ILE H . . 1.800 2.022 2.009 2.026 0.226 13 0 "[ . 1 . 2]" 3
10 1 18 SER O 1 21 ILE N . . 2.700 2.744 2.718 2.792 0.092 10 0 "[ . 1 . 2]" 3
11 1 18 SER O 1 22 ARG H . . 1.800 2.033 2.020 2.041 0.241 18 0 "[ . 1 . 2]" 3
12 1 18 SER O 1 22 ARG N . . 2.700 2.681 2.664 2.728 0.028 9 0 "[ . 1 . 2]" 3
13 1 19 LYS O 1 22 ARG H . . 1.800 2.034 2.029 2.045 0.245 7 0 "[ . 1 . 2]" 3
14 1 19 LYS O 1 22 ARG N . . 2.700 2.796 2.742 2.826 0.126 11 0 "[ . 1 . 2]" 3
15 1 29 PHE O 1 32 VAL H . . 1.800 2.029 2.017 2.041 0.241 7 0 "[ . 1 . 2]" 3
16 1 29 PHE O 1 32 VAL N . . 2.700 2.668 2.631 2.701 0.001 15 0 "[ . 1 . 2]" 3
17 1 29 PHE O 1 33 GLY H . . 1.800 1.762 1.743 1.777 . 0 0 "[ . 1 . 2]" 3
18 1 29 PHE O 1 33 GLY N . . 2.700 2.682 2.658 2.703 0.003 7 0 "[ . 1 . 2]" 3
19 1 30 VAL O 1 34 ILE H . . 1.800 2.038 2.027 2.054 0.254 8 0 "[ . 1 . 2]" 3
20 1 30 VAL O 1 34 ILE N . . 2.700 3.025 3.000 3.050 0.350 8 0 "[ . 1 . 2]" 3
21 1 31 PRO O 1 35 ALA H . . 1.800 1.984 1.889 2.013 0.213 7 0 "[ . 1 . 2]" 3
22 1 31 PRO O 1 35 ALA N . . 2.700 2.831 2.760 2.927 0.227 7 0 "[ . 1 . 2]" 3
23 1 32 VAL O 1 36 GLY H . . 1.800 2.007 1.994 2.016 0.216 8 0 "[ . 1 . 2]" 3
24 1 32 VAL O 1 36 GLY N . . 2.700 2.727 2.691 2.748 0.048 13 0 "[ . 1 . 2]" 3
25 1 33 GLY O 1 37 PHE H . . 1.800 1.896 1.785 2.013 0.213 14 0 "[ . 1 . 2]" 3
26 1 33 GLY O 1 37 PHE N . . 2.700 2.839 2.691 2.977 0.277 17 0 "[ . 1 . 2]" 3
27 1 34 ILE O 1 38 ALA H . . 1.800 2.026 2.016 2.043 0.243 14 0 "[ . 1 . 2]" 3
28 1 34 ILE O 1 38 ALA N . . 2.700 2.997 2.957 3.029 0.329 8 0 "[ . 1 . 2]" 3
29 1 35 ALA O 1 39 ALA H . . 1.800 1.778 1.748 1.799 . 0 0 "[ . 1 . 2]" 3
30 1 35 ALA O 1 39 ALA N . . 2.700 2.730 2.677 2.772 0.072 18 0 "[ . 1 . 2]" 3
31 1 36 GLY O 1 40 ILE H . . 1.800 1.793 1.767 1.860 0.060 10 0 "[ . 1 . 2]" 3
32 1 36 GLY O 1 40 ILE N . . 2.700 2.748 2.701 2.792 0.092 10 0 "[ . 1 . 2]" 3
33 1 37 PHE O 1 41 VAL H . . 1.800 1.830 1.786 1.985 0.185 16 0 "[ . 1 . 2]" 3
34 1 37 PHE O 1 41 VAL N . . 2.700 2.801 2.695 2.935 0.235 8 0 "[ . 1 . 2]" 3
35 1 38 ALA O 1 42 ALA H . . 1.800 2.008 1.923 2.023 0.223 16 0 "[ . 1 . 2]" 3
36 1 38 ALA O 1 42 ALA N . . 2.700 2.963 2.858 3.001 0.301 19 0 "[ . 1 . 2]" 3
37 1 39 ALA O 1 43 TYR H . . 1.800 1.786 1.775 1.798 . 0 0 "[ . 1 . 2]" 3
38 1 39 ALA O 1 43 TYR N . . 2.700 2.710 2.663 2.734 0.034 18 0 "[ . 1 . 2]" 3
39 1 40 ILE O 1 44 GLY H . . 1.800 1.839 1.786 1.990 0.190 9 0 "[ . 1 . 2]" 3
40 1 40 ILE O 1 44 GLY N . . 2.700 2.817 2.701 2.973 0.273 9 0 "[ . 1 . 2]" 3
41 1 41 VAL O 1 45 LEU H . . 1.800 1.863 1.783 1.999 0.199 20 0 "[ . 1 . 2]" 3
42 1 41 VAL O 1 45 LEU N . . 2.700 2.824 2.726 2.986 0.286 20 0 "[ . 1 . 2]" 3
43 1 42 ALA O 1 46 TYR H . . 1.800 1.888 1.794 2.016 0.216 16 0 "[ . 1 . 2]" 3
44 1 42 ALA O 1 46 TYR N . . 2.700 2.843 2.735 2.959 0.259 16 0 "[ . 1 . 2]" 3
45 1 65 VAL O 1 68 GLN H . . 1.800 2.027 2.020 2.036 0.236 12 0 "[ . 1 . 2]" 3
46 1 65 VAL O 1 68 GLN N . . 2.700 2.670 2.660 2.680 . 0 0 "[ . 1 . 2]" 3
47 1 65 VAL O 1 69 GLY H . . 1.800 1.980 1.920 2.011 0.211 14 0 "[ . 1 . 2]" 3
48 1 65 VAL O 1 69 GLY N . . 2.700 2.806 2.742 2.841 0.141 5 0 "[ . 1 . 2]" 3
49 1 66 ALA O 1 69 GLY H . . 1.800 2.027 2.012 2.048 0.248 20 0 "[ . 1 . 2]" 3
50 1 66 ALA O 1 69 GLY N . . 2.700 2.675 2.640 2.766 0.066 16 0 "[ . 1 . 2]" 3
51 1 66 ALA O 1 70 PHE H . . 1.800 2.028 2.014 2.044 0.244 16 0 "[ . 1 . 2]" 3
52 1 66 ALA O 1 70 PHE N . . 2.700 2.977 2.924 3.008 0.308 16 0 "[ . 1 . 2]" 3
53 1 67 ALA O 1 71 VAL H . . 1.800 2.002 1.959 2.014 0.214 12 0 "[ . 1 . 2]" 3
54 1 67 ALA O 1 71 VAL N . . 2.700 2.971 2.890 3.003 0.303 14 0 "[ . 1 . 2]" 3
55 1 68 GLN O 1 72 VAL H . . 1.800 1.871 1.789 1.998 0.198 10 0 "[ . 1 . 2]" 3
56 1 68 GLN O 1 72 VAL N . . 2.700 2.795 2.719 2.908 0.208 16 0 "[ . 1 . 2]" 3
57 1 69 GLY O 1 73 GLY H . . 1.800 1.991 1.927 2.022 0.222 16 0 "[ . 1 . 2]" 3
58 1 69 GLY O 1 73 GLY N . . 2.700 2.923 2.746 3.001 0.301 16 0 "[ . 1 . 2]" 3
59 1 70 PHE O 1 74 ALA H . . 1.800 2.019 2.004 2.037 0.237 9 0 "[ . 1 . 2]" 3
60 1 70 PHE O 1 74 ALA N . . 2.700 3.001 2.975 3.017 0.317 16 0 "[ . 1 . 2]" 3
61 1 71 VAL O 1 75 MET H . . 1.800 1.791 1.754 1.882 0.082 7 0 "[ . 1 . 2]" 3
62 1 71 VAL O 1 75 MET N . . 2.700 2.747 2.694 2.815 0.115 8 0 "[ . 1 . 2]" 3
63 1 72 VAL O 1 76 THR H . . 1.800 1.882 1.760 2.025 0.225 9 0 "[ . 1 . 2]" 3
64 1 72 VAL O 1 76 THR N . . 2.700 2.801 2.673 3.006 0.306 19 0 "[ . 1 . 2]" 3
65 1 73 GLY O 1 77 VAL H . . 1.800 2.026 2.006 2.049 0.249 20 0 "[ . 1 . 2]" 3
66 1 73 GLY O 1 77 VAL N . . 2.700 2.993 2.971 3.016 0.316 12 0 "[ . 1 . 2]" 3
67 1 74 ALA O 1 78 GLY H . . 1.800 1.945 1.801 2.018 0.218 17 0 "[ . 1 . 2]" 3
68 1 74 ALA O 1 78 GLY N . . 2.700 2.905 2.799 2.991 0.291 8 0 "[ . 1 . 2]" 3
69 1 75 MET O 1 79 MET H . . 1.800 1.877 1.780 2.024 0.224 17 0 "[ . 1 . 2]" 3
70 1 75 MET O 1 79 MET N . . 2.700 2.828 2.706 2.985 0.285 17 0 "[ . 1 . 2]" 3
71 1 76 THR O 1 80 GLY H . . 1.800 1.902 1.788 2.027 0.227 19 0 "[ . 1 . 2]" 3
72 1 76 THR O 1 80 GLY N . . 2.700 2.885 2.776 3.000 0.300 9 0 "[ . 1 . 2]" 3
73 1 77 VAL O 1 81 TYR H . . 1.800 2.026 2.010 2.044 0.244 8 0 "[ . 1 . 2]" 3
74 1 77 VAL O 1 81 TYR N . . 2.700 2.952 2.930 2.985 0.285 15 0 "[ . 1 . 2]" 3
75 1 78 GLY O 1 82 SER H . . 1.800 2.054 2.017 2.140 0.340 17 0 "[ . 1 . 2]" 3
76 1 78 GLY O 1 82 SER N . . 2.700 2.743 2.670 2.939 0.239 17 0 "[ . 1 . 2]" 3
77 1 79 MET O 1 82 SER H . . 1.800 2.048 2.021 2.089 0.289 20 0 "[ . 1 . 2]" 3
78 1 79 MET O 1 82 SER N . . 2.700 2.739 2.688 2.892 0.192 9 0 "[ . 1 . 2]" 3
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