NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
633772 |
6h5h   |
34304 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6h5h
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 86
_Distance_constraint_stats_list.Viol_count 35
_Distance_constraint_stats_list.Viol_total 20.353
_Distance_constraint_stats_list.Viol_max 0.062
_Distance_constraint_stats_list.Viol_rms 0.0042
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0264
_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 32 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 33 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 34 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 35 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 36 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 37 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 38 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 40 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 41 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 42 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 44 GLU 0.115 0.062 19 0 "[ . 1 . 2 ]"
1 45 GLY 0.046 0.023 19 0 "[ . 1 . 2 ]"
1 46 ASN 0.008 0.005 20 0 "[ . 1 . 2 ]"
1 48 ALA 0.755 0.045 16 0 "[ . 1 . 2 ]"
1 49 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 51 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 53 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 56 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 57 ALA 0.755 0.045 16 0 "[ . 1 . 2 ]"
1 59 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 60 TYR 0.162 0.062 19 0 "[ . 1 . 2 ]"
1 61 TYR 0.008 0.005 20 0 "[ . 1 . 2 ]"
1 63 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 64 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 66 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 67 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 68 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 70 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 72 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 73 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 74 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 75 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 76 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 77 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 80 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 83 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 86 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 90 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 94 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 95 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 97 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 98 LEU 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 32 THR MG 1 35 GLY H 0.000 . 4.800 3.470 3.344 3.655 . 0 0 "[ . 1 . 2 ]" 1
2 1 51 VAL MG2 1 53 ASN HD21 0.000 . 4.300 3.502 3.445 3.583 . 0 0 "[ . 1 . 2 ]" 1
3 1 48 ALA MB 1 53 ASN HD21 0.000 . 4.800 4.019 4.011 4.024 . 0 0 "[ . 1 . 2 ]" 1
4 1 53 ASN HD21 1 56 ASP QB 0.000 . 4.800 3.394 3.307 3.464 . 0 0 "[ . 1 . 2 ]" 1
5 1 57 ALA MB 1 61 TYR HD2 0.000 . 4.800 3.785 3.610 3.971 . 0 0 "[ . 1 . 2 ]" 1
6 1 57 ALA MB 1 61 TYR HE2 0.000 . 4.300 2.686 2.368 2.917 . 0 0 "[ . 1 . 2 ]" 1
7 1 70 TYR HD2 1 74 ILE MD 0.000 . 4.800 3.103 2.882 3.271 . 0 0 "[ . 1 . 2 ]" 1
8 1 70 TYR HE2 1 74 ILE MD 0.000 . 4.300 3.614 3.607 3.619 . 0 0 "[ . 1 . 2 ]" 1
9 1 83 LEU HB2 1 86 VAL MG2 0.000 . 4.300 2.203 2.008 2.469 . 0 0 "[ . 1 . 2 ]" 1
10 1 34 ASN HD22 1 70 TYR HD2 0.000 . 3.500 2.227 1.794 2.561 . 0 0 "[ . 1 . 2 ]" 1
11 1 34 ASN HD22 1 73 LYS HA 0.000 . 4.000 3.197 3.090 3.255 . 0 0 "[ . 1 . 2 ]" 1
12 1 34 ASN HD22 1 74 ILE H 0.000 . 3.500 3.334 3.240 3.435 . 0 0 "[ . 1 . 2 ]" 1
13 1 34 ASN HD22 1 74 ILE HG13 0.000 . 3.500 2.542 2.434 2.660 . 0 0 "[ . 1 . 2 ]" 1
14 1 37 LEU HB3 1 67 LEU MD1 0.000 . 4.800 3.219 2.967 3.608 . 0 0 "[ . 1 . 2 ]" 1
15 1 37 LEU HB2 1 67 LEU MD1 0.000 . 4.800 3.374 3.031 3.864 . 0 0 "[ . 1 . 2 ]" 1
16 1 37 LEU MD2 1 97 PHE HB3 0.000 . 4.300 2.625 2.114 3.024 . 0 0 "[ . 1 . 2 ]" 1
17 1 38 VAL MG1 1 64 ALA MB 0.000 . 4.300 1.940 1.886 1.979 . 0 0 "[ . 1 . 2 ]" 1
18 1 38 VAL MG1 1 68 ASP HB2 0.000 . 4.300 3.224 2.803 3.531 . 0 0 "[ . 1 . 2 ]" 1
19 1 38 VAL MG2 1 64 ALA HA 0.000 . 4.000 2.910 2.723 3.080 . 0 0 "[ . 1 . 2 ]" 1
20 1 40 MET ME 1 94 ILE HA 0.000 . 3.500 2.919 2.810 2.941 . 0 0 "[ . 1 . 2 ]" 1
21 1 40 MET ME 1 97 PHE HD2 0.000 . 4.300 3.312 2.533 3.588 . 0 0 "[ . 1 . 2 ]" 1
22 1 42 LYS H 1 64 ALA MB 0.000 . 4.800 3.752 3.487 3.957 . 0 0 "[ . 1 . 2 ]" 1
23 1 44 GLU HB2 1 60 TYR HD2 0.000 . 4.500 4.092 3.593 4.562 0.062 19 0 "[ . 1 . 2 ]" 1
24 1 45 GLY H 1 60 TYR QB 0.000 . 4.300 3.330 3.064 3.494 . 0 0 "[ . 1 . 2 ]" 1
25 1 45 GLY H 1 60 TYR HD1 0.000 . 4.500 4.400 4.127 4.523 0.023 19 0 "[ . 1 . 2 ]" 1
26 1 45 GLY HA3 1 60 TYR HD1 0.000 . 4.500 3.892 3.672 4.212 . 0 0 "[ . 1 . 2 ]" 1
27 1 45 GLY HA2 1 60 TYR HD1 0.000 . 4.000 2.538 2.310 2.863 . 0 0 "[ . 1 . 2 ]" 1
28 1 45 GLY HA3 1 57 ALA HA 0.000 . 4.000 3.296 3.044 3.469 . 0 0 "[ . 1 . 2 ]" 1
29 1 45 GLY HA2 1 57 ALA HA 0.000 . 3.500 2.119 2.092 2.172 . 0 0 "[ . 1 . 2 ]" 1
30 1 46 ASN H 1 61 TYR HE1 0.000 . 4.000 3.807 3.303 4.005 0.005 20 0 "[ . 1 . 2 ]" 1
31 1 48 ALA H 1 57 ALA HA 0.000 . 4.500 4.534 4.522 4.545 0.045 16 0 "[ . 1 . 2 ]" 1
32 1 48 ALA MB 1 56 ASP QB 0.000 . 4.300 2.290 2.168 2.564 . 0 0 "[ . 1 . 2 ]" 1
33 1 48 ALA MB 1 57 ALA HA 0.000 . 4.000 2.576 2.479 2.648 . 0 0 "[ . 1 . 2 ]" 1
34 1 49 LEU H 1 57 ALA MB 0.000 . 4.300 2.756 2.534 2.868 . 0 0 "[ . 1 . 2 ]" 1
35 1 48 ALA MB 1 56 ASP H 0.000 . 4.800 3.965 3.892 4.002 . 0 0 "[ . 1 . 2 ]" 1
36 1 59 GLN HB3 1 90 ILE MD 0.000 . 5.300 3.788 3.228 4.156 . 0 0 "[ . 1 . 2 ]" 1
37 1 60 TYR H 1 90 ILE MD 0.000 . 4.800 4.031 4.012 4.047 . 0 0 "[ . 1 . 2 ]" 1
38 1 48 ALA MB 1 60 TYR HD1 0.000 . 4.300 3.033 2.914 3.253 . 0 0 "[ . 1 . 2 ]" 1
39 1 60 TYR HD2 1 90 ILE MD 0.000 . 4.800 2.530 1.960 3.257 . 0 0 "[ . 1 . 2 ]" 1
40 1 41 LEU MD2 1 60 TYR HD2 0.000 . 4.300 2.415 2.029 2.622 . 0 0 "[ . 1 . 2 ]" 1
41 1 60 TYR HE2 1 90 ILE HA 0.000 . 4.000 3.369 3.071 3.807 . 0 0 "[ . 1 . 2 ]" 1
42 1 60 TYR HE2 1 90 ILE MD 0.000 . 4.800 3.321 2.858 3.999 . 0 0 "[ . 1 . 2 ]" 1
43 1 41 LEU MD2 1 60 TYR HE2 0.000 . 4.800 3.941 3.685 4.009 . 0 0 "[ . 1 . 2 ]" 1
44 1 48 ALA MB 1 60 TYR HE1 0.000 . 4.300 2.640 2.451 2.954 . 0 0 "[ . 1 . 2 ]" 1
45 1 45 GLY QA 1 61 TYR H 0.000 . 4.800 4.189 4.057 4.276 . 0 0 "[ . 1 . 2 ]" 1
46 1 63 ALA MB 1 90 ILE MD 0.000 . 5.000 2.261 1.911 2.606 . 0 0 "[ . 1 . 2 ]" 1
47 1 41 LEU MD1 1 64 ALA H 0.000 . 4.800 2.760 2.367 3.379 . 0 0 "[ . 1 . 2 ]" 1
48 1 38 VAL HA 1 64 ALA MB 0.000 . 4.300 2.516 2.185 2.894 . 0 0 "[ . 1 . 2 ]" 1
49 1 34 ASN HB3 1 67 LEU MD1 0.000 . 4.800 3.759 3.566 4.006 . 0 0 "[ . 1 . 2 ]" 1
50 1 38 VAL HA 1 67 LEU MD1 0.000 . 4.800 3.509 3.247 3.834 . 0 0 "[ . 1 . 2 ]" 1
51 1 67 LEU MD2 1 83 LEU MD1 0.000 . 4.300 2.068 1.908 2.390 . 0 0 "[ . 1 . 2 ]" 1
52 1 38 VAL MG2 1 68 ASP H 0.000 . 4.300 2.978 2.693 3.166 . 0 0 "[ . 1 . 2 ]" 1
53 1 70 TYR HB2 1 83 LEU MD2 0.000 . 4.300 3.302 2.839 3.589 . 0 0 "[ . 1 . 2 ]" 1
54 1 70 TYR HD2 1 83 LEU MD1 0.000 . 4.800 3.964 3.619 4.008 . 0 0 "[ . 1 . 2 ]" 1
55 1 70 TYR HD1 1 83 LEU MD2 0.000 . 4.800 2.099 1.892 2.415 . 0 0 "[ . 1 . 2 ]" 1
56 1 70 TYR HE1 1 83 LEU MD2 0.000 . 4.300 2.719 1.973 3.584 . 0 0 "[ . 1 . 2 ]" 1
57 1 33 LEU MD1 1 72 HIS H 0.000 . 4.800 3.963 3.848 4.005 . 0 0 "[ . 1 . 2 ]" 1
58 1 33 LEU MD2 1 73 LYS H 0.000 . 4.800 4.011 4.007 4.014 . 0 0 "[ . 1 . 2 ]" 1
59 1 74 ILE MG 1 80 ALA HA 0.000 . 4.800 3.026 2.799 3.289 . 0 0 "[ . 1 . 2 ]" 1
60 1 74 ILE MD 1 80 ALA HA 0.000 . 4.000 2.366 2.235 2.520 . 0 0 "[ . 1 . 2 ]" 1
61 1 74 ILE MD 1 83 LEU MD1 0.000 . 4.300 2.239 2.055 2.509 . 0 0 "[ . 1 . 2 ]" 1
62 1 76 SER H 1 98 LEU MD1 0.000 . 4.800 3.634 3.563 3.764 . 0 0 "[ . 1 . 2 ]" 1
63 1 76 SER H 1 94 ILE MG 0.000 . 5.800 4.405 4.155 4.742 . 0 0 "[ . 1 . 2 ]" 1
64 1 77 GLY H 1 94 ILE MG 0.000 . 4.800 2.902 2.793 3.039 . 0 0 "[ . 1 . 2 ]" 1
65 1 77 GLY H 1 98 LEU MD1 0.000 . 5.300 2.984 2.759 3.260 . 0 0 "[ . 1 . 2 ]" 1
66 1 77 GLY HA3 1 94 ILE MG 0.000 . 4.300 3.013 2.877 3.298 . 0 0 "[ . 1 . 2 ]" 1
67 1 77 GLY HA2 1 94 ILE MG 0.000 . 4.800 2.214 2.143 2.456 . 0 0 "[ . 1 . 2 ]" 1
68 1 77 GLY HA3 1 94 ILE HB 0.000 . 4.000 2.181 2.097 2.427 . 0 0 "[ . 1 . 2 ]" 1
69 1 77 GLY HA2 1 94 ILE HB 0.000 . 4.000 2.530 2.431 2.722 . 0 0 "[ . 1 . 2 ]" 1
70 1 74 ILE MD 1 80 ALA H 0.000 . 5.300 3.868 3.720 4.044 . 0 0 "[ . 1 . 2 ]" 1
71 1 80 ALA H 1 94 ILE MG 0.000 . 5.300 4.434 4.427 4.443 . 0 0 "[ . 1 . 2 ]" 1
72 1 80 ALA H 1 94 ILE MD 0.000 . 5.300 3.974 3.815 4.281 . 0 0 "[ . 1 . 2 ]" 1
73 1 66 THR MG 1 83 LEU HB3 0.000 . 4.800 1.939 1.929 1.948 . 0 0 "[ . 1 . 2 ]" 1
74 1 63 ALA MB 1 90 ILE MG 0.000 . 4.300 2.619 2.150 2.948 . 0 0 "[ . 1 . 2 ]" 1
75 1 60 TYR HD2 1 90 ILE MG 0.000 . 4.300 3.163 2.945 3.392 . 0 0 "[ . 1 . 2 ]" 1
76 1 60 TYR HA 1 90 ILE MD 0.000 . 4.300 2.469 2.317 2.746 . 0 0 "[ . 1 . 2 ]" 1
77 1 37 LEU MD2 1 94 ILE HA 0.000 . 4.300 2.803 2.332 3.134 . 0 0 "[ . 1 . 2 ]" 1
78 1 80 ALA MB 1 94 ILE MG 0.000 . 4.300 2.910 2.775 2.983 . 0 0 "[ . 1 . 2 ]" 1
79 1 80 ALA MB 1 94 ILE MD 0.000 . 4.300 1.927 1.858 2.112 . 0 0 "[ . 1 . 2 ]" 1
80 1 77 GLY HA2 1 94 ILE MD 0.000 . 4.800 2.194 2.005 2.517 . 0 0 "[ . 1 . 2 ]" 1
81 1 77 GLY QA 1 95 ASP H 0.000 . 4.800 3.181 2.895 3.457 . 0 0 "[ . 1 . 2 ]" 1
82 1 40 MET ME 1 97 PHE H 0.000 . 4.800 3.725 3.350 4.001 . 0 0 "[ . 1 . 2 ]" 1
83 1 37 LEU MD1 1 97 PHE HD1 0.000 . 4.300 3.595 3.589 3.603 . 0 0 "[ . 1 . 2 ]" 1
84 1 37 LEU MD2 1 97 PHE HD1 0.000 . 3.500 2.161 1.966 2.329 . 0 0 "[ . 1 . 2 ]" 1
85 1 36 ALA MB 1 97 PHE HZ 0.000 . 3.500 2.702 2.176 2.911 . 0 0 "[ . 1 . 2 ]" 1
86 1 75 LYS HA 1 98 LEU MD1 0.000 . 4.000 3.350 3.338 3.366 . 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 51
_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 32 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 34 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 35 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 36 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 37 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 38 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 39 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 40 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 41 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 42 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 43 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 44 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 46 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 47 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 48 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 49 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 50 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 51 VAL 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 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 55 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 56 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 57 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 58 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 59 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 60 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 61 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 62 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 63 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 64 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 65 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 66 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 67 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 68 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 69 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 70 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 72 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 74 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 77 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 79 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 80 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 81 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 82 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 83 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 84 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 86 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 87 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 88 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 89 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 90 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 91 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 92 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 93 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 94 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 95 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 96 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 97 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 98 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 99 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 100 THR 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 32 THR O 1 35 GLY H 2.200 . 2.600 1.894 1.857 1.925 . 0 0 "[ . 1 . 2 ]" 2
2 1 34 ASN O 1 38 VAL H 2.200 . 2.600 2.040 1.992 2.085 . 0 0 "[ . 1 . 2 ]" 2
3 1 35 GLY O 1 39 ASN H 2.200 . 2.600 1.984 1.911 2.041 . 0 0 "[ . 1 . 2 ]" 2
4 1 36 ALA O 1 40 MET H 2.200 . 2.600 2.138 2.093 2.193 . 0 0 "[ . 1 . 2 ]" 2
5 1 37 LEU O 1 41 LEU H 2.200 . 2.600 1.980 1.922 2.030 . 0 0 "[ . 1 . 2 ]" 2
6 1 38 VAL O 1 42 LYS H 2.200 . 2.600 2.058 1.956 2.128 . 0 0 "[ . 1 . 2 ]" 2
7 1 39 ASN O 1 43 GLU H 2.200 . 2.600 2.117 2.020 2.164 . 0 0 "[ . 1 . 2 ]" 2
8 1 40 MET O 1 44 GLU H 2.200 . 2.600 2.080 2.023 2.228 . 0 0 "[ . 1 . 2 ]" 2
9 1 41 LEU O 1 45 GLY H 2.200 . 2.600 1.882 1.833 1.932 . 0 0 "[ . 1 . 2 ]" 2
10 1 42 LYS O 1 46 ASN H 2.200 . 2.600 2.077 2.019 2.125 . 0 0 "[ . 1 . 2 ]" 2
11 1 43 GLU O 1 47 LYS H 2.200 . 2.600 2.109 2.065 2.152 . 0 0 "[ . 1 . 2 ]" 2
12 1 44 GLU O 1 48 ALA H 2.200 . 2.600 1.993 1.922 2.046 . 0 0 "[ . 1 . 2 ]" 2
13 1 45 GLY O 1 49 LEU H 2.200 . 2.600 2.002 1.968 2.038 . 0 0 "[ . 1 . 2 ]" 2
14 1 46 ASN O 1 50 SER H 2.200 . 2.600 1.984 1.956 2.026 . 0 0 "[ . 1 . 2 ]" 2
15 1 47 LYS O 1 51 VAL H 2.200 . 2.600 2.236 2.176 2.281 . 0 0 "[ . 1 . 2 ]" 2
16 1 49 LEU O 1 52 GLY H 2.200 . 2.600 1.925 1.908 1.952 . 0 0 "[ . 1 . 2 ]" 2
17 1 48 ALA O 1 53 ASN H 2.200 . 2.600 1.849 1.834 1.870 . 0 0 "[ . 1 . 2 ]" 2
18 1 53 ASN O 1 57 ALA H 2.200 . 2.600 2.160 2.141 2.185 . 0 0 "[ . 1 . 2 ]" 2
19 1 54 ILE O 1 58 LEU H 2.200 . 2.600 1.981 1.946 2.007 . 0 0 "[ . 1 . 2 ]" 2
20 1 55 ASP O 1 59 GLN H 2.200 . 2.600 2.120 2.083 2.158 . 0 0 "[ . 1 . 2 ]" 2
21 1 56 ASP O 1 60 TYR H 2.200 . 2.600 2.027 1.978 2.081 . 0 0 "[ . 1 . 2 ]" 2
22 1 57 ALA O 1 61 TYR H 2.200 . 2.600 2.090 2.041 2.136 . 0 0 "[ . 1 . 2 ]" 2
23 1 58 LEU O 1 62 ALA H 2.200 . 2.600 1.998 1.945 2.036 . 0 0 "[ . 1 . 2 ]" 2
24 1 59 GLN O 1 63 ALA H 2.200 . 2.600 2.076 2.041 2.123 . 0 0 "[ . 1 . 2 ]" 2
25 1 60 TYR O 1 64 ALA H 2.200 . 2.600 1.993 1.960 2.023 . 0 0 "[ . 1 . 2 ]" 2
26 1 61 TYR O 1 65 ILE H 2.200 . 2.600 2.104 2.079 2.133 . 0 0 "[ . 1 . 2 ]" 2
27 1 62 ALA O 1 66 THR H 2.200 . 2.600 2.137 2.106 2.167 . 0 0 "[ . 1 . 2 ]" 2
28 1 63 ALA O 1 67 LEU H 2.200 . 2.600 1.941 1.891 1.995 . 0 0 "[ . 1 . 2 ]" 2
29 1 64 ALA O 1 68 ASP H 2.200 . 2.600 2.101 2.067 2.141 . 0 0 "[ . 1 . 2 ]" 2
30 1 65 ILE O 1 69 LYS H 2.200 . 2.600 2.028 1.999 2.081 . 0 0 "[ . 1 . 2 ]" 2
31 1 66 THR O 1 70 TYR H 2.200 . 2.600 2.055 2.023 2.101 . 0 0 "[ . 1 . 2 ]" 2
32 1 77 GLY O 1 81 LYS H 2.200 . 2.600 2.117 2.090 2.202 . 0 0 "[ . 1 . 2 ]" 2
33 1 79 GLU O 1 82 LYS H 2.200 . 2.600 2.041 2.019 2.072 . 0 0 "[ . 1 . 2 ]" 2
34 1 80 ALA O 1 83 LEU H 2.200 . 2.600 1.981 1.964 1.998 . 0 0 "[ . 1 . 2 ]" 2
35 1 83 LEU O 1 86 VAL H 2.200 . 2.600 2.186 2.155 2.219 . 0 0 "[ . 1 . 2 ]" 2
36 1 87 GLY O 1 91 ALA H 2.200 . 2.600 2.000 1.958 2.028 . 0 0 "[ . 1 . 2 ]" 2
37 1 88 THR O 1 92 GLU H 2.200 . 2.600 2.038 2.004 2.086 . 0 0 "[ . 1 . 2 ]" 2
38 1 89 LYS O 1 93 LYS H 2.200 . 2.600 2.114 2.054 2.167 . 0 0 "[ . 1 . 2 ]" 2
39 1 90 ILE O 1 94 ILE H 2.200 . 2.600 2.062 1.993 2.135 . 0 0 "[ . 1 . 2 ]" 2
40 1 91 ALA O 1 95 ASP H 2.200 . 2.600 2.029 1.975 2.089 . 0 0 "[ . 1 . 2 ]" 2
41 1 92 GLU O 1 96 GLU H 2.200 . 2.600 2.020 1.987 2.058 . 0 0 "[ . 1 . 2 ]" 2
42 1 93 LYS O 1 97 PHE H 2.200 . 2.600 2.019 1.962 2.094 . 0 0 "[ . 1 . 2 ]" 2
43 1 94 ILE O 1 98 LEU H 2.200 . 2.600 2.051 2.017 2.106 . 0 0 "[ . 1 . 2 ]" 2
44 1 95 ASP O 1 99 ALA H 2.200 . 2.600 1.996 1.967 2.023 . 0 0 "[ . 1 . 2 ]" 2
45 1 96 GLU O 1 100 THR H 2.200 . 2.600 2.046 2.030 2.063 . 0 0 "[ . 1 . 2 ]" 2
46 1 34 ASN HD21 1 67 LEU O 2.200 . 2.600 2.029 1.993 2.066 . 0 0 "[ . 1 . 2 ]" 2
47 1 34 ASN HD22 1 72 HIS O 2.200 . 2.600 1.996 1.970 2.030 . 0 0 "[ . 1 . 2 ]" 2
48 1 53 ASN OD1 1 56 ASP H 2.200 . 2.600 1.961 1.932 1.986 . 0 0 "[ . 1 . 2 ]" 2
49 1 66 THR HG1 1 84 PRO O 2.200 . 2.600 2.130 2.112 2.158 . 0 0 "[ . 1 . 2 ]" 2
50 1 34 ASN OD1 1 74 ILE H 2.200 . 2.600 2.141 2.084 2.193 . 0 0 "[ . 1 . 2 ]" 2
51 1 77 GLY H 1 95 ASP OD1 2.200 . 2.600 1.978 1.918 2.009 . 0 0 "[ . 1 . 2 ]" 2
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