NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
528248 |
2lks   |
18010 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lks
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 120
_Distance_constraint_stats_list.Viol_count 106
_Distance_constraint_stats_list.Viol_total 64.684
_Distance_constraint_stats_list.Viol_max 0.475
_Distance_constraint_stats_list.Viol_rms 0.0347
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0054
_Distance_constraint_stats_list.Viol_average_violations_only 0.0610
_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 LYS 0.039 0.024 5 0 "[ . 1]"
1 5 GLU 0.039 0.024 5 0 "[ . 1]"
1 6 GLU 0.000 0.000 . 0 "[ . 1]"
1 7 ALA 0.243 0.044 6 0 "[ . 1]"
1 8 LYS 0.000 0.000 . 0 "[ . 1]"
1 10 ALA 0.263 0.062 9 0 "[ . 1]"
1 11 PHE 0.025 0.016 3 0 "[ . 1]"
1 12 LYS 0.000 0.000 . 0 "[ . 1]"
1 13 GLU 0.000 0.000 . 0 "[ . 1]"
1 14 LEU 0.073 0.026 8 0 "[ . 1]"
1 15 LEU 0.055 0.021 4 0 "[ . 1]"
1 16 LYS 0.000 0.000 . 0 "[ . 1]"
1 17 GLU 0.000 0.000 . 0 "[ . 1]"
1 20 VAL 0.256 0.036 6 0 "[ . 1]"
1 21 PRO 0.092 0.030 5 0 "[ . 1]"
1 22 SER 0.000 0.000 . 0 "[ . 1]"
1 24 ALA 0.019 0.012 10 0 "[ . 1]"
1 25 SER 3.348 0.475 6 0 "[ . 1]"
1 26 TRP 3.942 0.475 6 0 "[ . 1]"
1 27 GLU 0.000 0.000 . 0 "[ . 1]"
1 28 GLN 0.000 0.000 . 0 "[ . 1]"
1 29 ALA 0.306 0.036 6 0 "[ . 1]"
1 30 MET 0.515 0.092 1 0 "[ . 1]"
1 31 LYS 0.136 0.136 5 0 "[ . 1]"
1 32 MET 0.153 0.055 2 0 "[ . 1]"
1 33 ILE 0.787 0.091 5 0 "[ . 1]"
1 34 ILE 0.777 0.136 5 0 "[ . 1]"
1 36 ASP 0.024 0.010 10 0 "[ . 1]"
1 38 ARG 0.000 0.000 . 0 "[ . 1]"
1 39 TYR 0.796 0.128 6 0 "[ . 1]"
1 40 SER 0.000 0.000 . 0 "[ . 1]"
1 41 ALA 0.000 0.000 . 0 "[ . 1]"
1 42 LEU 0.798 0.091 5 0 "[ . 1]"
1 43 ALA 0.008 0.008 5 0 "[ . 1]"
1 44 LYS 0.000 0.000 . 0 "[ . 1]"
1 45 LEU 0.243 0.044 6 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 LYS H 1 5 GLU H 2.500 . 3.900 2.942 2.668 3.902 0.002 10 0 "[ . 1]" 1
2 1 4 LYS QB 1 5 GLU H 2.500 . 3.900 3.780 3.543 3.924 0.024 5 0 "[ . 1]" 1
3 1 5 GLU QG 1 8 LYS H 3.500 . 5.900 5.282 4.691 5.735 . 0 0 "[ . 1]" 1
4 1 6 GLU QB 1 7 ALA H 2.500 . 3.900 2.594 2.518 2.630 . 0 0 "[ . 1]" 1
5 1 7 ALA H 1 8 LYS H 2.500 . 3.900 2.638 2.614 2.652 . 0 0 "[ . 1]" 1
6 1 7 ALA MB 1 8 LYS H 2.500 . 3.900 2.628 2.562 2.716 . 0 0 "[ . 1]" 1
7 1 7 ALA MB 1 10 ALA H 3.500 . 5.900 4.547 4.464 4.603 . 0 0 "[ . 1]" 1
8 1 7 ALA MB 1 45 LEU MD1 2.500 . 3.900 3.751 3.378 3.926 0.026 9 0 "[ . 1]" 1
9 1 7 ALA MB 1 45 LEU MD2 2.500 . 3.900 3.797 3.277 3.944 0.044 6 0 "[ . 1]" 1
10 1 10 ALA MB 1 11 PHE H 2.500 . 3.900 2.631 2.466 2.726 . 0 0 "[ . 1]" 1
11 1 10 ALA MB 1 42 LEU MD1 2.500 . 3.900 3.313 2.449 3.942 0.042 1 0 "[ . 1]" 1
12 1 10 ALA MB 1 42 LEU MD2 2.500 . 3.900 3.618 3.030 3.962 0.062 9 0 "[ . 1]" 1
13 1 11 PHE HA 1 13 GLU H 3.500 . 5.900 4.492 4.364 4.609 . 0 0 "[ . 1]" 1
14 1 11 PHE HA 1 14 LEU QB 3.500 . 5.900 2.709 2.552 2.950 . 0 0 "[ . 1]" 1
15 1 11 PHE HA 1 14 LEU QD 3.500 . 5.900 2.957 2.354 3.572 . 0 0 "[ . 1]" 1
16 1 11 PHE HA 1 42 LEU MD1 3.500 . 5.900 4.881 4.476 5.660 . 0 0 "[ . 1]" 1
17 1 11 PHE QB 1 12 LYS H 2.500 . 3.900 2.469 2.438 2.569 . 0 0 "[ . 1]" 1
18 1 11 PHE QD 1 14 LEU MD1 3.500 . 5.900 4.739 3.423 5.916 0.016 3 0 "[ . 1]" 1
19 1 11 PHE QD 1 15 LEU MD1 3.500 . 5.900 3.471 2.752 4.959 . 0 0 "[ . 1]" 1
20 1 11 PHE QD 1 33 ILE MG 3.500 . 5.900 4.594 3.394 5.216 . 0 0 "[ . 1]" 1
21 1 11 PHE QD 1 42 LEU QD 3.500 . 5.900 4.222 3.554 4.644 . 0 0 "[ . 1]" 1
22 1 12 LYS HA 1 15 LEU MD1 2.500 . 3.900 2.616 2.506 2.750 . 0 0 "[ . 1]" 1
23 1 12 LYS QB 1 13 GLU H 2.500 . 3.900 2.544 2.452 2.616 . 0 0 "[ . 1]" 1
24 1 13 GLU HA 1 15 LEU H 3.500 . 5.900 4.401 4.339 4.470 . 0 0 "[ . 1]" 1
25 1 14 LEU QB 1 15 LEU H 2.500 . 3.900 2.542 2.498 2.598 . 0 0 "[ . 1]" 1
26 1 14 LEU QD 1 33 ILE MD 2.500 . 3.900 3.434 2.728 3.926 0.026 8 0 "[ . 1]" 1
27 1 15 LEU H 1 16 LYS H 2.500 . 3.900 2.669 2.628 2.681 . 0 0 "[ . 1]" 1
28 1 15 LEU H 1 17 GLU H 3.500 . 5.900 4.167 4.121 4.290 . 0 0 "[ . 1]" 1
29 1 15 LEU HA 1 20 VAL MG2 2.500 . 3.900 3.116 2.546 3.918 0.018 4 0 "[ . 1]" 1
30 1 15 LEU QB 1 16 LYS H 2.500 . 3.900 2.552 2.525 2.619 . 0 0 "[ . 1]" 1
31 1 15 LEU MD2 1 20 VAL MG1 2.500 . 3.900 3.211 2.378 3.904 0.004 8 0 "[ . 1]" 1
32 1 15 LEU MD2 1 33 ILE MD 2.500 . 3.900 3.546 2.999 3.921 0.021 4 0 "[ . 1]" 1
33 1 15 LEU MD2 1 33 ILE MG 2.500 . 3.900 2.852 2.261 3.597 . 0 0 "[ . 1]" 1
34 1 15 LEU HG 1 20 VAL MG2 3.500 . 5.900 4.810 4.404 5.387 . 0 0 "[ . 1]" 1
35 1 16 LYS H 1 17 GLU H 2.500 . 3.900 2.674 2.645 2.755 . 0 0 "[ . 1]" 1
36 1 16 LYS QB 1 17 GLU H 2.500 . 3.900 2.549 2.468 2.596 . 0 0 "[ . 1]" 1
37 1 20 VAL MG1 1 24 ALA MB 2.500 . 3.900 3.365 2.976 3.912 0.012 10 0 "[ . 1]" 1
38 1 20 VAL MG1 1 29 ALA MB 3.500 . 5.900 2.585 1.913 3.113 . 0 0 "[ . 1]" 1
39 1 20 VAL MG2 1 29 ALA HA 2.500 . 3.900 3.922 3.906 3.936 0.036 6 0 "[ . 1]" 1
40 1 20 VAL MG2 1 29 ALA MB 3.500 . 5.900 3.061 2.473 3.727 . 0 0 "[ . 1]" 1
41 1 21 PRO QD 1 32 MET ME 2.500 . 3.900 3.461 2.345 3.930 0.030 5 0 "[ . 1]" 1
42 1 21 PRO HD2 1 24 ALA MB 3.500 . 5.900 3.184 2.695 3.901 . 0 0 "[ . 1]" 1
43 1 21 PRO QG 1 24 ALA MB 3.500 . 5.900 3.479 3.012 3.999 . 0 0 "[ . 1]" 1
44 1 22 SER HA 1 24 ALA H 3.500 . 5.900 4.082 3.374 4.300 . 0 0 "[ . 1]" 1
45 1 24 ALA MB 1 28 GLN H 3.500 . 5.900 4.634 4.269 5.409 . 0 0 "[ . 1]" 1
46 1 24 ALA MB 1 28 GLN QB 3.500 . 5.900 2.631 2.088 3.797 . 0 0 "[ . 1]" 1
47 1 24 ALA MB 1 28 GLN QG 3.500 . 5.900 4.142 3.114 5.129 . 0 0 "[ . 1]" 1
48 1 24 ALA MB 1 29 ALA HA 3.500 . 5.900 4.280 3.476 5.531 . 0 0 "[ . 1]" 1
49 1 24 ALA MB 1 32 MET ME 3.500 . 5.900 4.552 1.951 5.907 0.007 10 0 "[ . 1]" 1
50 1 25 SER H 1 26 TRP H 2.500 . 3.900 4.234 3.978 4.375 0.475 6 0 "[ . 1]" 1
51 1 25 SER H 1 28 GLN QB 3.500 . 5.900 2.444 1.813 3.855 . 0 0 "[ . 1]" 1
52 1 25 SER H 1 28 GLN QG 3.500 . 5.900 3.769 2.640 5.297 . 0 0 "[ . 1]" 1
53 1 25 SER QB 1 26 TRP H 2.500 . 3.900 2.521 1.797 3.797 0.003 2 0 "[ . 1]" 1
54 1 26 TRP HA 1 29 ALA H 2.500 . 3.900 3.462 3.365 3.606 . 0 0 "[ . 1]" 1
55 1 26 TRP HA 1 29 ALA MB 2.500 . 3.900 2.396 2.288 2.610 . 0 0 "[ . 1]" 1
56 1 26 TRP HA 1 30 MET H 2.500 . 3.900 3.934 3.729 3.992 0.092 1 0 "[ . 1]" 1
57 1 26 TRP QB 1 27 GLU H 2.500 . 3.900 2.580 2.497 2.637 . 0 0 "[ . 1]" 1
58 1 26 TRP HD1 1 29 ALA MB 3.500 . 5.900 5.451 3.528 5.926 0.026 10 0 "[ . 1]" 1
59 1 27 GLU H 1 28 GLN H 2.500 . 3.900 2.717 2.680 2.756 . 0 0 "[ . 1]" 1
60 1 27 GLU HA 1 29 ALA H 3.500 . 5.900 4.543 4.507 4.606 . 0 0 "[ . 1]" 1
61 1 27 GLU HA 1 30 MET H 2.500 . 3.900 3.658 3.595 3.761 . 0 0 "[ . 1]" 1
62 1 27 GLU HA 1 30 MET ME 3.500 . 5.900 4.329 3.374 5.082 . 0 0 "[ . 1]" 1
63 1 27 GLU QB 1 28 GLN H 2.500 . 3.900 2.460 2.405 2.488 . 0 0 "[ . 1]" 1
64 1 28 GLN H 1 29 ALA H 2.500 . 3.900 2.591 2.560 2.622 . 0 0 "[ . 1]" 1
65 1 28 GLN HA 1 31 LYS H 2.500 . 3.900 3.438 3.388 3.499 . 0 0 "[ . 1]" 1
66 1 28 GLN QB 1 29 ALA H 2.500 . 3.900 2.575 2.553 2.611 . 0 0 "[ . 1]" 1
67 1 28 GLN QG 1 31 LYS QD 3.500 . 5.900 3.885 3.547 4.590 . 0 0 "[ . 1]" 1
68 1 29 ALA HA 1 32 MET H 2.500 . 3.900 3.402 3.358 3.452 . 0 0 "[ . 1]" 1
69 1 29 ALA HA 1 32 MET QB 2.500 . 3.900 2.639 2.577 2.736 . 0 0 "[ . 1]" 1
70 1 29 ALA HA 1 32 MET HG2 3.500 . 5.900 4.380 3.304 4.743 . 0 0 "[ . 1]" 1
71 1 29 ALA HA 1 32 MET HG3 3.500 . 5.900 3.317 2.995 3.528 . 0 0 "[ . 1]" 1
72 1 29 ALA HA 1 33 ILE MG 3.500 . 5.900 4.455 4.252 4.697 . 0 0 "[ . 1]" 1
73 1 29 ALA MB 1 30 MET H 2.500 . 3.900 2.613 2.541 2.712 . 0 0 "[ . 1]" 1
74 1 30 MET H 1 31 LYS H 2.500 . 3.900 2.642 2.627 2.663 . 0 0 "[ . 1]" 1
75 1 30 MET HA 1 33 ILE H 2.500 . 3.900 3.696 3.677 3.721 . 0 0 "[ . 1]" 1
76 1 30 MET HA 1 33 ILE MD 2.100 . 3.100 2.429 2.278 2.618 . 0 0 "[ . 1]" 1
77 1 30 MET QB 1 31 LYS H 2.500 . 3.900 2.599 2.545 2.625 . 0 0 "[ . 1]" 1
78 1 30 MET ME 1 33 ILE MD 3.500 . 5.900 3.881 2.784 5.084 . 0 0 "[ . 1]" 1
79 1 30 MET ME 1 34 ILE MD 3.500 . 5.900 3.237 2.340 4.161 . 0 0 "[ . 1]" 1
80 1 30 MET ME 1 39 TYR QE 3.500 . 5.900 5.460 4.217 5.903 0.003 5 0 "[ . 1]" 1
81 1 31 LYS HA 1 34 ILE H 2.500 . 3.900 3.323 3.255 3.374 . 0 0 "[ . 1]" 1
82 1 31 LYS HA 1 34 ILE MD 2.500 . 3.900 2.413 2.143 4.036 0.136 5 0 "[ . 1]" 1
83 1 31 LYS QB 1 34 ILE MD 3.500 . 5.900 3.976 3.536 5.461 . 0 0 "[ . 1]" 1
84 1 32 MET QB 1 33 ILE H 2.500 . 3.900 2.522 2.516 2.531 . 0 0 "[ . 1]" 1
85 1 32 MET ME 1 33 ILE MG 3.500 . 5.900 4.558 4.204 5.955 0.055 2 0 "[ . 1]" 1
86 1 33 ILE H 1 34 ILE H 2.500 . 3.900 2.492 2.474 2.509 . 0 0 "[ . 1]" 1
87 1 33 ILE HA 1 36 ASP QB 3.500 . 5.900 2.646 2.453 2.869 . 0 0 "[ . 1]" 1
88 1 33 ILE MD 1 39 TYR QD 2.500 . 3.900 3.753 3.430 3.938 0.038 3 0 "[ . 1]" 1
89 1 33 ILE MD 1 42 LEU MD1 3.500 . 5.900 5.154 4.080 5.964 0.064 9 0 "[ . 1]" 1
90 1 33 ILE MD 1 42 LEU MD2 3.500 . 5.900 5.528 3.931 5.991 0.091 5 0 "[ . 1]" 1
91 1 34 ILE MD 1 39 TYR QD 3.500 . 5.900 4.683 3.677 4.953 . 0 0 "[ . 1]" 1
92 1 34 ILE MD 1 39 TYR QE 2.500 . 3.900 3.862 2.994 4.028 0.128 6 0 "[ . 1]" 1
93 1 34 ILE MG 1 36 ASP H 3.500 . 5.900 4.782 4.747 4.871 . 0 0 "[ . 1]" 1
94 1 34 ILE MG 1 39 TYR QD 3.500 . 5.900 3.277 2.987 3.875 . 0 0 "[ . 1]" 1
95 1 34 ILE MG 1 39 TYR QE 3.500 . 5.900 3.550 3.117 4.026 . 0 0 "[ . 1]" 1
96 1 36 ASP H 1 39 TYR QD 3.500 . 5.900 5.541 5.336 5.748 . 0 0 "[ . 1]" 1
97 1 36 ASP HB2 1 39 TYR QD 3.500 . 5.900 5.636 4.893 5.910 0.010 10 0 "[ . 1]" 1
98 1 36 ASP HB3 1 39 TYR QD 3.500 . 5.900 5.112 4.467 5.909 0.009 10 0 "[ . 1]" 1
99 1 38 ARG H 1 39 TYR H 2.500 . 3.900 2.649 2.586 2.681 . 0 0 "[ . 1]" 1
100 1 38 ARG H 1 40 SER H 3.500 . 5.900 4.430 4.056 4.613 . 0 0 "[ . 1]" 1
101 1 38 ARG QB 1 39 TYR H 2.500 . 3.900 2.827 2.727 3.092 . 0 0 "[ . 1]" 1
102 1 39 TYR HA 1 41 ALA H 3.500 . 5.900 4.352 3.839 4.556 . 0 0 "[ . 1]" 1
103 1 39 TYR HA 1 42 LEU H 2.500 . 3.900 3.372 3.230 3.466 . 0 0 "[ . 1]" 1
104 1 39 TYR QD 1 42 LEU MD2 3.500 . 5.900 4.333 3.175 5.647 . 0 0 "[ . 1]" 1
105 1 39 TYR QE 1 43 ALA MB 2.500 . 3.900 3.737 3.240 3.908 0.008 5 0 "[ . 1]" 1
106 1 40 SER H 1 41 ALA H 2.500 . 3.900 2.724 2.686 2.751 . 0 0 "[ . 1]" 1
107 1 40 SER QB 1 41 ALA H 2.500 . 3.900 2.797 2.499 3.572 . 0 0 "[ . 1]" 1
108 1 40 SER QB 1 43 ALA MB 3.500 . 5.900 4.332 3.921 4.570 . 0 0 "[ . 1]" 1
109 1 41 ALA H 1 42 LEU H 2.500 . 3.900 2.613 2.591 2.659 . 0 0 "[ . 1]" 1
110 1 41 ALA HA 1 43 ALA H 3.500 . 5.900 4.387 4.366 4.419 . 0 0 "[ . 1]" 1
111 1 41 ALA HA 1 44 LYS H 2.500 . 3.900 3.416 3.387 3.474 . 0 0 "[ . 1]" 1
112 1 41 ALA HA 1 44 LYS QD 3.500 . 5.900 2.715 2.333 3.690 . 0 0 "[ . 1]" 1
113 1 41 ALA MB 1 42 LEU H 2.500 . 3.900 2.669 2.612 2.760 . 0 0 "[ . 1]" 1
114 1 41 ALA MB 1 42 LEU MD2 3.500 . 5.900 4.905 3.736 5.622 . 0 0 "[ . 1]" 1
115 1 41 ALA MB 1 43 ALA H 3.500 . 5.900 4.591 4.573 4.611 . 0 0 "[ . 1]" 1
116 1 41 ALA MB 1 44 LYS QB 3.500 . 5.900 3.916 3.807 4.103 . 0 0 "[ . 1]" 1
117 1 42 LEU H 1 43 ALA H 2.500 . 3.900 2.687 2.676 2.696 . 0 0 "[ . 1]" 1
118 1 42 LEU QB 1 43 ALA H 2.500 . 3.900 2.558 2.519 2.615 . 0 0 "[ . 1]" 1
119 1 43 ALA H 1 44 LYS H 2.500 . 3.900 2.649 2.631 2.665 . 0 0 "[ . 1]" 1
120 1 43 ALA MB 1 44 LYS H 2.500 . 3.900 2.600 2.504 2.682 . 0 0 "[ . 1]" 1
stop_
save_
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