NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
626153 |
6aly   |
30330 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6aly
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 75
_Distance_constraint_stats_list.Viol_count 78
_Distance_constraint_stats_list.Viol_total 133.095
_Distance_constraint_stats_list.Viol_max 0.245
_Distance_constraint_stats_list.Viol_rms 0.0234
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0044
_Distance_constraint_stats_list.Viol_average_violations_only 0.0853
_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 16 VAL 0.145 0.110 9 0 "[ . 1 . 2]"
1 17 LEU 0.145 0.110 9 0 "[ . 1 . 2]"
1 18 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ILE 0.078 0.039 11 0 "[ . 1 . 2]"
1 21 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ILE 6.300 0.245 13 0 "[ . 1 . 2]"
1 24 PHE 2.534 0.226 2 0 "[ . 1 . 2]"
1 25 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LEU 0.091 0.040 4 0 "[ . 1 . 2]"
1 49 GLY 0.091 0.040 4 0 "[ . 1 . 2]"
1 50 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 THR 0.116 0.116 12 0 "[ . 1 . 2]"
1 52 MET 0.116 0.116 12 0 "[ . 1 . 2]"
1 56 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ALA 0.416 0.050 1 0 "[ . 1 . 2]"
1 70 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 LYS 0.796 0.136 12 0 "[ . 1 . 2]"
1 73 ILE 2.476 0.245 13 0 "[ . 1 . 2]"
1 74 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 VAL 0.003 0.003 8 0 "[ . 1 . 2]"
1 80 LYS 0.003 0.003 8 0 "[ . 1 . 2]"
1 81 ASN 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 23 ILE CG2 1 24 PHE H 3.800 . 6.800 3.956 3.254 4.084 . 0 0 "[ . 1 . 2]" 1
2 1 23 ILE H 1 24 PHE H 3.800 . 6.800 2.508 2.299 2.595 . 0 0 "[ . 1 . 2]" 1
3 1 23 ILE CB 1 24 PHE H 3.800 . 6.800 3.200 3.068 3.623 . 0 0 "[ . 1 . 2]" 1
4 1 22 GLN H 1 23 ILE H 3.800 . 6.800 2.147 1.937 2.576 . 0 0 "[ . 1 . 2]" 1
5 1 21 ASN H 1 22 GLN H 3.800 . 6.800 2.567 2.382 2.735 . 0 0 "[ . 1 . 2]" 1
6 1 21 ASN H 1 23 ILE H 3.800 . 6.800 4.037 3.838 4.375 . 0 0 "[ . 1 . 2]" 1
7 1 19 GLN H 1 20 ILE H 3.800 . 6.800 2.389 2.232 2.574 . 0 0 "[ . 1 . 2]" 1
8 1 18 ASN H 1 19 GLN H 3.800 . 6.800 2.569 2.385 2.721 . 0 0 "[ . 1 . 2]" 1
9 1 16 VAL H 1 17 LEU H 3.800 . 6.800 2.788 1.690 4.582 0.110 9 0 "[ . 1 . 2]" 1
10 1 17 LEU H 1 18 ASN H 3.800 . 6.800 2.582 2.347 2.810 . 0 0 "[ . 1 . 2]" 1
11 1 18 ASN H 1 20 ILE H 3.800 . 6.800 4.093 3.964 4.311 . 0 0 "[ . 1 . 2]" 1
12 1 27 GLU H 1 28 GLU H 3.800 . 6.800 2.617 2.573 2.649 . 0 0 "[ . 1 . 2]" 1
13 1 25 SER H 1 28 GLU H 3.800 . 6.800 3.755 3.494 3.875 . 0 0 "[ . 1 . 2]" 1
14 1 24 PHE H 1 25 SER H 3.800 . 6.800 4.449 4.435 4.489 . 0 0 "[ . 1 . 2]" 1
15 1 29 GLN H 1 30 ARG H 3.800 . 6.800 2.891 2.851 2.930 . 0 0 "[ . 1 . 2]" 1
16 1 29 GLN H 1 31 SER H 3.800 . 6.800 4.261 4.188 4.331 . 0 0 "[ . 1 . 2]" 1
17 1 31 SER H 1 32 LEU H 3.800 . 6.800 2.611 2.579 2.643 . 0 0 "[ . 1 . 2]" 1
18 1 33 LEU H 1 34 GLN H 3.800 . 6.800 2.707 2.615 2.742 . 0 0 "[ . 1 . 2]" 1
19 1 32 LEU H 1 33 LEU H 3.800 . 6.800 2.740 2.650 2.811 . 0 0 "[ . 1 . 2]" 1
20 1 34 GLN H 1 35 GLU H 3.800 . 6.800 2.716 2.680 2.751 . 0 0 "[ . 1 . 2]" 1
21 1 35 GLU H 1 36 ALA H 3.800 . 6.800 2.657 2.621 2.693 . 0 0 "[ . 1 . 2]" 1
22 1 35 GLU CB 1 36 ALA H 3.800 . 6.800 3.099 3.069 3.138 . 0 0 "[ . 1 . 2]" 1
23 1 36 ALA H 1 37 ILE H 3.800 . 6.800 2.904 2.860 2.922 . 0 0 "[ . 1 . 2]" 1
24 1 36 ALA H 1 37 ILE CG2 4.000 . 7.000 6.904 6.852 6.933 . 0 0 "[ . 1 . 2]" 1
25 1 37 ILE H 1 38 GLU H 3.800 . 6.800 2.690 2.612 2.733 . 0 0 "[ . 1 . 2]" 1
26 1 40 CYS H 1 41 LYS H 3.800 . 6.800 2.693 2.581 2.770 . 0 0 "[ . 1 . 2]" 1
27 1 41 LYS H 1 42 ASN H 3.800 . 6.800 2.572 2.506 2.690 . 0 0 "[ . 1 . 2]" 1
28 1 42 ASN H 1 43 PHE H 3.800 . 6.800 2.587 2.428 2.701 . 0 0 "[ . 1 . 2]" 1
29 1 43 PHE H 1 44 GLU H 3.800 . 6.800 2.537 2.479 2.632 . 0 0 "[ . 1 . 2]" 1
30 1 44 GLU H 1 45 LYS H 3.800 . 6.800 2.575 2.437 2.777 . 0 0 "[ . 1 . 2]" 1
31 1 43 PHE CD1 1 44 GLU H 3.800 . 6.800 5.482 5.401 5.625 . 0 0 "[ . 1 . 2]" 1
32 1 45 LYS H 1 46 THR H 3.800 . 6.800 2.906 2.863 2.989 . 0 0 "[ . 1 . 2]" 1
33 1 45 LYS CB 1 46 THR H 3.800 . 6.800 3.187 3.103 3.238 . 0 0 "[ . 1 . 2]" 1
34 1 48 LEU H 1 49 GLY H 3.800 . 6.800 3.507 1.760 4.648 0.040 4 0 "[ . 1 . 2]" 1
35 1 49 GLY H 1 50 SER H 3.800 . 6.800 3.816 2.021 4.640 . 0 0 "[ . 1 . 2]" 1
36 1 50 SER H 1 51 THR H 3.800 . 6.800 3.221 1.801 4.465 . 0 0 "[ . 1 . 2]" 1
37 1 50 SER CB 1 51 THR H 3.800 . 6.800 3.224 2.281 4.047 . 0 0 "[ . 1 . 2]" 1
38 1 51 THR H 1 52 MET H 3.800 . 6.800 4.027 1.684 4.657 0.116 12 0 "[ . 1 . 2]" 1
39 1 56 VAL H 1 57 LYS H 3.800 . 6.800 2.677 2.599 2.752 . 0 0 "[ . 1 . 2]" 1
40 1 58 GLN H 1 59 SER H 3.800 . 6.800 2.738 2.673 2.809 . 0 0 "[ . 1 . 2]" 1
41 1 59 SER H 1 60 PHE H 3.800 . 6.800 2.582 2.548 2.617 . 0 0 "[ . 1 . 2]" 1
42 1 60 PHE H 1 61 ILE H 3.800 . 6.800 2.761 2.593 2.861 . 0 0 "[ . 1 . 2]" 1
43 1 61 ILE H 1 62 ARG H 3.800 . 6.800 2.475 2.389 2.533 . 0 0 "[ . 1 . 2]" 1
44 1 63 LYS CD 1 64 TYR H 3.800 . 6.800 5.404 5.135 5.608 . 0 0 "[ . 1 . 2]" 1
45 1 64 TYR H 1 65 ILE H 3.800 . 6.800 2.843 2.764 2.899 . 0 0 "[ . 1 . 2]" 1
46 1 64 TYR H 1 66 ASN H 3.800 . 6.800 4.065 3.891 4.340 . 0 0 "[ . 1 . 2]" 1
47 1 66 ASN H 1 67 GLN H 3.800 . 6.800 2.663 2.505 2.847 . 0 0 "[ . 1 . 2]" 1
48 1 67 GLN H 1 68 LYS H 3.800 . 6.800 2.616 2.538 2.688 . 0 0 "[ . 1 . 2]" 1
49 1 68 LYS H 1 69 ALA H 3.800 . 6.800 2.727 2.641 2.776 . 0 0 "[ . 1 . 2]" 1
50 1 69 ALA H 1 70 LEU H 3.800 . 6.800 2.699 2.635 2.744 . 0 0 "[ . 1 . 2]" 1
51 1 70 LEU H 1 71 ARG H 3.800 . 6.800 2.704 2.647 2.782 . 0 0 "[ . 1 . 2]" 1
52 1 72 LYS H 1 73 ILE H 3.800 . 6.800 2.757 2.669 2.863 . 0 0 "[ . 1 . 2]" 1
53 1 73 ILE H 1 74 GLN H 3.800 . 6.800 2.672 2.449 2.770 . 0 0 "[ . 1 . 2]" 1
54 1 74 GLN H 1 75 ALA H 3.800 . 6.800 2.657 2.593 2.712 . 0 0 "[ . 1 . 2]" 1
55 1 73 ILE CG2 1 74 GLN H 3.800 . 6.800 3.894 2.911 4.644 . 0 0 "[ . 1 . 2]" 1
56 1 73 ILE CG2 1 76 LEU H 3.800 . 6.800 5.262 4.915 5.649 . 0 0 "[ . 1 . 2]" 1
57 1 77 ARG H 1 78 ASP H 3.800 . 6.800 2.090 1.978 2.276 . 0 0 "[ . 1 . 2]" 1
58 1 79 VAL H 1 80 LYS H 3.800 . 6.800 3.703 1.797 4.618 0.003 8 0 "[ . 1 . 2]" 1
59 1 80 LYS H 1 81 ASN H 3.800 . 6.800 4.167 2.859 4.658 . 0 0 "[ . 1 . 2]" 1
60 1 23 ILE CG2 1 24 PHE CD1 3.800 . 5.000 3.621 3.231 4.027 . 0 0 "[ . 1 . 2]" 1
61 1 23 ILE CG2 1 24 PHE CD2 3.800 . 5.000 4.464 3.810 4.631 . 0 0 "[ . 1 . 2]" 1
62 1 23 ILE CD1 1 24 PHE CD1 3.800 . 5.000 5.127 5.079 5.226 0.226 2 0 "[ . 1 . 2]" 1
63 1 23 ILE CG2 1 69 ALA H 3.800 . 6.800 6.768 6.515 6.850 0.050 1 0 "[ . 1 . 2]" 1
64 1 23 ILE CG2 1 69 ALA CA 3.800 . 7.300 5.017 4.798 5.162 . 0 0 "[ . 1 . 2]" 1
65 1 23 ILE CD1 1 69 ALA CA 3.800 . 7.300 5.164 4.760 5.950 . 0 0 "[ . 1 . 2]" 1
66 1 23 ILE CG2 1 69 ALA CB 3.800 . 7.300 4.885 4.504 5.158 . 0 0 "[ . 1 . 2]" 1
67 1 23 ILE CD1 1 69 ALA CB 3.800 . 7.300 4.447 3.976 6.210 . 0 0 "[ . 1 . 2]" 1
68 1 23 ILE CG2 1 72 LYS CB 3.800 . 7.300 4.760 3.851 5.532 . 0 0 "[ . 1 . 2]" 1
69 1 23 ILE CG2 1 72 LYS CE 3.800 . 7.300 4.511 4.172 7.432 0.132 3 0 "[ . 1 . 2]" 1
70 1 23 ILE CD1 1 72 LYS CE 3.800 . 7.300 7.148 4.318 7.436 0.136 12 0 "[ . 1 . 2]" 1
71 1 23 ILE CG2 1 73 ILE CG2 3.800 . 6.800 6.421 4.264 7.045 0.245 13 0 "[ . 1 . 2]" 1
72 1 23 ILE CG2 1 73 ILE CD1 3.800 . 6.800 5.614 4.031 6.885 0.085 8 0 "[ . 1 . 2]" 1
73 1 24 PHE H 1 28 GLU CB 3.800 . 7.300 6.937 6.725 7.185 . 0 0 "[ . 1 . 2]" 1
74 1 20 ILE CD1 1 23 ILE CG2 3.800 . 7.300 6.614 5.043 7.339 0.039 11 0 "[ . 1 . 2]" 1
75 1 29 GLN H 1 32 LEU CD1 3.800 . 7.300 5.476 5.063 6.541 . 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 9
_Distance_constraint_stats_list.Viol_count 98
_Distance_constraint_stats_list.Viol_total 1808.593
_Distance_constraint_stats_list.Viol_max 2.168
_Distance_constraint_stats_list.Viol_rms 0.6866
_Distance_constraint_stats_list.Viol_average_all_restraints 0.5024
_Distance_constraint_stats_list.Viol_average_violations_only 0.9228
_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 24 PHE 0.120 0.120 20 0 "[ . 1 . 2]"
1 32 LEU 56.782 2.168 18 18 [*******-*1****.**+**]
1 35 GLU 5.768 0.978 17 3 "[* - 1 . + 2]"
1 39 THR 21.311 1.622 17 20 [************-***+***]
1 40 CYS 6.151 0.899 17 6 "[ -. *1 * .*+ *2]"
1 43 PHE 6.151 0.899 17 6 "[ -. *1 * .*+ *2]"
1 48 LEU 0.334 0.137 12 0 "[ . 1 . 2]"
1 52 MET 0.419 0.137 12 0 "[ . 1 . 2]"
1 56 VAL 0.085 0.052 20 0 "[ . 1 . 2]"
1 60 PHE 6.151 0.899 17 6 "[ -. *1 * .*+ *2]"
1 64 TYR 83.740 2.168 18 20 [************-****+**]
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 39 THR H 1 64 TYR CE1 3.800 2.800 5.800 6.866 6.452 7.422 1.622 17 20 [************-***+***] 2
2 1 39 THR CG2 1 64 TYR CE1 3.800 2.800 5.800 4.686 4.004 5.467 . 0 0 "[ . 1 . 2]" 2
3 1 35 GLU QB 1 64 TYR CE1 3.800 2.800 5.800 6.013 4.810 6.778 0.978 17 3 "[* - 1 . + 2]" 2
4 1 32 LEU QB 1 64 TYR CE1 3.800 2.800 5.800 7.403 6.173 7.968 2.168 18 18 [*******-*1****.**+**] 2
5 1 32 LEU CD1 1 64 TYR CE1 3.800 2.800 5.800 7.002 5.558 7.785 1.985 2 13 "[*+*** *-*1*** . * *2]" 2
6 1 24 PHE CD1 1 32 LEU CD1 3.800 2.800 5.300 3.794 3.254 5.420 0.120 20 0 "[ . 1 . 2]" 2
7 1 48 LEU CD1 1 52 MET CE 3.800 2.800 5.800 5.218 3.523 5.937 0.137 12 0 "[ . 1 . 2]" 2
8 1 52 MET CE 1 56 VAL CG1 3.800 2.800 5.300 4.594 3.399 5.352 0.052 20 0 "[ . 1 . 2]" 2
9 1 40 CYS QB 1 43 PHE CD1 3.800 2.800 5.800 6.043 5.380 6.699 0.899 17 6 "[ -. *1 * .*+ *2]" 2
stop_
save_
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