NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
400550 |
1v1c   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1v1c
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 117
_Distance_constraint_stats_list.Viol_count 97
_Distance_constraint_stats_list.Viol_total 146.726
_Distance_constraint_stats_list.Viol_max 0.550
_Distance_constraint_stats_list.Viol_rms 0.0295
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0031
_Distance_constraint_stats_list.Viol_average_violations_only 0.0756
_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 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 TYR 0.957 0.100 20 0 "[ . 1 . 2]"
1 9 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 VAL 0.193 0.054 19 0 "[ . 1 . 2]"
1 11 THR 0.032 0.032 18 0 "[ . 1 . 2]"
1 12 ALA 0.032 0.032 18 0 "[ . 1 . 2]"
1 14 TYR 0.020 0.020 5 0 "[ . 1 . 2]"
1 15 LEU 0.062 0.041 2 0 "[ . 1 . 2]"
1 16 PRO 0.021 0.021 4 0 "[ . 1 . 2]"
1 17 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ALA 0.004 0.004 5 0 "[ . 1 . 2]"
1 24 ILE 0.096 0.031 1 0 "[ . 1 . 2]"
1 25 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LEU 0.275 0.054 19 0 "[ . 1 . 2]"
1 27 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 GLN 0.058 0.054 19 0 "[ . 1 . 2]"
1 31 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 VAL 0.408 0.054 19 0 "[ . 1 . 2]"
1 33 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 LEU 3.598 0.550 7 4 "[ -.*+* 1 . 2]"
1 36 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 TRP 0.088 0.088 20 0 "[ . 1 . 2]"
1 44 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 VAL 0.123 0.031 1 0 "[ . 1 . 2]"
1 46 ARG 0.190 0.045 5 0 "[ . 1 . 2]"
1 47 THR 0.015 0.008 9 0 "[ . 1 . 2]"
1 48 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 PRO 1.274 0.093 6 0 "[ . 1 . 2]"
1 50 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 SER 1.274 0.093 6 0 "[ . 1 . 2]"
1 54 PRO 1.274 0.093 6 0 "[ . 1 . 2]"
1 55 SER 0.135 0.045 5 0 "[ . 1 . 2]"
1 56 ARG 0.559 0.094 5 0 "[ . 1 . 2]"
1 57 GLN 3.965 0.550 7 4 "[ -.*+* 1 . 2]"
1 58 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 TRP 0.004 0.004 5 0 "[ . 1 . 2]"
1 60 VAL 0.088 0.088 20 0 "[ . 1 . 2]"
1 61 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 PRO 0.088 0.088 20 0 "[ . 1 . 2]"
1 63 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 TYR 0.032 0.032 18 0 "[ . 1 . 2]"
1 65 LEU 1.159 0.100 20 0 "[ . 1 . 2]"
1 66 ASP 0.021 0.021 1 0 "[ . 1 . 2]"
1 67 ARG 0.947 0.100 20 0 "[ . 1 . 2]"
1 68 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 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 ILE HB 1 4 ILE MD 2.228 . 2.824 2.009 1.987 2.100 . 0 0 "[ . 1 . 2]" 1
2 1 5 PHE HB2 1 34 VAL H 3.346 2.002 4.690 3.273 3.076 3.424 . 0 0 "[ . 1 . 2]" 1
3 1 5 PHE QD 1 35 LEU MD2 2.889 . 3.891 3.146 2.636 3.590 . 0 0 "[ . 1 . 2]" 1
4 1 5 PHE QD 1 35 LEU HA 2.916 . 3.936 3.049 2.725 3.421 . 0 0 "[ . 1 . 2]" 1
5 1 6 ASP H 1 7 ILE H 3.219 . 4.462 3.905 3.801 4.030 . 0 0 "[ . 1 . 2]" 1
6 1 6 ASP H 1 8 TYR QR 3.624 2.048 5.200 4.293 3.959 4.872 . 0 0 "[ . 1 . 2]" 1
7 1 6 ASP H 1 33 GLU HB3 3.372 2.007 4.737 3.982 3.826 4.350 . 0 0 "[ . 1 . 2]" 1
8 1 6 ASP QB 1 34 VAL HB 2.852 . 3.828 3.727 3.587 3.781 . 0 0 "[ . 1 . 2]" 1
9 1 7 ILE H 1 7 ILE MD 2.988 . 4.059 3.233 3.183 3.275 . 0 0 "[ . 1 . 2]" 1
10 1 7 ILE MD 1 31 TYR HB3 3.105 . 4.262 3.188 2.491 3.607 . 0 0 "[ . 1 . 2]" 1
11 1 7 ILE MD 1 70 LYS H 3.551 2.038 5.064 3.764 2.922 4.694 . 0 0 "[ . 1 . 2]" 1
12 1 7 ILE HG13 1 8 TYR H 3.835 2.070 5.600 4.661 4.580 4.726 . 0 0 "[ . 1 . 2]" 1
13 1 7 ILE MG 1 9 VAL HA 2.936 . 3.970 3.305 3.244 3.396 . 0 0 "[ . 1 . 2]" 1
14 1 8 TYR H 1 32 VAL QG 2.890 . 3.892 3.186 3.074 3.321 . 0 0 "[ . 1 . 2]" 1
15 1 8 TYR HA 1 32 VAL MG1 3.190 . 4.411 4.095 3.452 4.261 . 0 0 "[ . 1 . 2]" 1
16 1 8 TYR HA 1 65 LEU HB3 3.216 . 4.457 3.659 2.580 4.056 . 0 0 "[ . 1 . 2]" 1
17 1 8 TYR HA 1 65 LEU HG 3.155 . 4.349 4.391 4.343 4.449 0.100 20 0 "[ . 1 . 2]" 1
18 1 8 TYR QB 1 65 LEU HB2 3.068 . 4.197 3.512 3.286 3.805 . 0 0 "[ . 1 . 2]" 1
19 1 8 TYR QB 1 65 LEU MD2 2.862 . 3.845 2.166 1.868 3.882 0.037 6 0 "[ . 1 . 2]" 1
20 1 8 TYR HB2 1 32 VAL MG1 2.470 . 3.202 2.150 1.895 3.176 . 0 0 "[ . 1 . 2]" 1
21 1 8 TYR HB3 1 65 LEU QD 2.587 . 3.390 2.564 2.017 2.833 . 0 0 "[ . 1 . 2]" 1
22 1 8 TYR QR 1 67 ARG HA 3.140 . 4.323 2.600 1.925 2.871 0.032 16 0 "[ . 1 . 2]" 1
23 1 8 TYR QD 1 32 VAL MG1 3.744 2.061 5.427 2.894 2.028 3.392 0.033 16 0 "[ . 1 . 2]" 1
24 1 9 VAL H 1 65 LEU HB2 3.733 2.061 5.405 4.205 3.480 4.923 . 0 0 "[ . 1 . 2]" 1
25 1 9 VAL MG1 1 68 ARG HB2 2.593 . 3.400 2.844 2.109 3.311 . 0 0 "[ . 1 . 2]" 1
26 1 10 VAL HB 1 26 LEU QD 2.952 . 3.998 3.931 3.708 4.052 0.054 19 0 "[ . 1 . 2]" 1
27 1 10 VAL MG2 1 26 LEU MD1 2.367 . 3.040 2.118 1.821 2.401 . 0 0 "[ . 1 . 2]" 1
28 1 11 THR HA 1 12 ALA MB 2.980 . 4.046 3.581 3.370 4.078 0.032 18 0 "[ . 1 . 2]" 1
29 1 14 TYR HA 1 15 LEU QB 3.328 . 4.657 4.188 3.835 4.426 . 0 0 "[ . 1 . 2]" 1
30 1 14 TYR HB2 1 26 LEU MD1 3.126 . 4.298 4.027 3.475 4.318 0.020 5 0 "[ . 1 . 2]" 1
31 1 14 TYR QE 1 24 ILE MG 3.744 2.061 5.427 3.649 3.186 4.478 . 0 0 "[ . 1 . 2]" 1
32 1 14 TYR QE 1 26 LEU HB2 3.744 2.061 5.427 3.771 3.193 4.288 . 0 0 "[ . 1 . 2]" 1
33 1 15 LEU HA 1 15 LEU QD 2.566 . 3.356 2.246 1.863 3.397 0.041 2 0 "[ . 1 . 2]" 1
34 1 15 LEU QB 1 16 PRO HD3 2.985 . 4.054 3.688 3.206 4.075 0.021 4 0 "[ . 1 . 2]" 1
35 1 15 LEU QD 1 15 LEU HG 2.809 . 3.756 1.895 1.893 1.896 . 0 0 "[ . 1 . 2]" 1
36 1 15 LEU QD 1 16 PRO HD3 3.108 . 4.267 3.246 2.576 4.239 . 0 0 "[ . 1 . 2]" 1
37 1 16 PRO HA 1 23 ALA MB 3.724 2.060 5.388 4.428 3.884 4.872 . 0 0 "[ . 1 . 2]" 1
38 1 16 PRO QB 1 23 ALA MB 3.112 . 4.274 3.035 2.465 3.735 . 0 0 "[ . 1 . 2]" 1
39 1 16 PRO HB3 1 20 GLU QG 1.762 . 2.135 1.988 1.833 2.082 . 0 0 "[ . 1 . 2]" 1
40 1 16 PRO HG2 1 25 THR HA 2.765 . 3.682 2.759 2.273 3.229 . 0 0 "[ . 1 . 2]" 1
41 1 17 LEU QB 1 17 LEU QD 2.230 . 2.827 1.924 1.852 1.953 . 0 0 "[ . 1 . 2]" 1
42 1 20 GLU QB 1 21 GLN H 2.408 . 3.104 2.425 2.203 2.762 . 0 0 "[ . 1 . 2]" 1
43 1 20 GLU QB 1 21 GLN H 2.658 . 3.506 2.810 2.285 3.283 . 0 0 "[ . 1 . 2]" 1
44 1 20 GLU QB 1 23 ALA H 3.130 . 4.306 3.761 2.886 4.214 . 0 0 "[ . 1 . 2]" 1
45 1 23 ALA H 1 59 TRP H 3.206 . 4.440 4.082 3.603 4.444 0.004 5 0 "[ . 1 . 2]" 1
46 1 24 ILE HB 1 25 THR H 3.574 2.041 5.107 3.853 3.772 3.976 . 0 0 "[ . 1 . 2]" 1
47 1 24 ILE MD 1 24 ILE HG12 1.888 . 2.316 1.819 1.799 1.837 . 0 0 "[ . 1 . 2]" 1
48 1 24 ILE MD 1 56 ARG HB2 2.712 . 3.594 2.320 1.905 2.636 . 0 0 "[ . 1 . 2]" 1
49 1 24 ILE MG 1 57 GLN HA 2.780 . 3.707 3.576 3.327 3.738 0.031 1 0 "[ . 1 . 2]" 1
50 1 24 ILE MG 1 58 GLY H 2.685 . 3.550 2.666 2.409 2.810 . 0 0 "[ . 1 . 2]" 1
51 1 24 ILE MG 1 58 GLY HA2 2.647 . 3.488 2.154 2.049 2.213 . 0 0 "[ . 1 . 2]" 1
52 1 24 ILE MG 1 59 TRP H 3.029 . 4.130 3.569 3.187 3.916 . 0 0 "[ . 1 . 2]" 1
53 1 26 LEU QD 1 30 GLN HB2 2.968 . 4.025 3.523 3.059 4.029 0.004 3 0 "[ . 1 . 2]" 1
54 1 26 LEU MD2 1 30 GLN HB3 2.909 . 3.925 3.025 2.496 3.979 0.054 19 0 "[ . 1 . 2]" 1
55 1 26 LEU MD2 1 30 GLN HE21 3.250 . 4.517 3.461 1.983 4.484 . 0 0 "[ . 1 . 2]" 1
56 1 26 LEU MD2 1 30 GLN HE22 3.546 2.037 5.055 3.812 2.268 4.887 . 0 0 "[ . 1 . 2]" 1
57 1 26 LEU MD2 1 47 THR MG 1.886 . 2.313 2.117 1.725 2.317 0.004 3 0 "[ . 1 . 2]" 1
58 1 26 LEU HG 1 30 GLN HE21 3.915 2.076 5.754 5.110 4.510 5.613 . 0 0 "[ . 1 . 2]" 1
59 1 27 ARG HB3 1 28 GLU H 3.278 . 4.568 2.387 2.251 2.500 . 0 0 "[ . 1 . 2]" 1
60 1 27 ARG HB3 1 29 GLY H 3.332 . 4.664 4.251 4.197 4.324 . 0 0 "[ . 1 . 2]" 1
61 1 28 GLU QB 1 28 GLU HG2 2.032 . 2.528 2.353 2.329 2.435 . 0 0 "[ . 1 . 2]" 1
62 1 28 GLU QB 1 28 GLU HG3 2.021 . 2.511 2.312 2.146 2.355 . 0 0 "[ . 1 . 2]" 1
63 1 28 GLU HG2 1 29 GLY HA2 3.395 2.012 4.778 3.965 3.790 4.638 . 0 0 "[ . 1 . 2]" 1
64 1 30 GLN HB2 1 30 GLN HE21 3.516 2.032 5.000 3.675 2.641 4.377 . 0 0 "[ . 1 . 2]" 1
65 1 31 TYR HA 1 31 TYR QB 2.354 . 3.019 2.307 2.279 2.335 . 0 0 "[ . 1 . 2]" 1
66 1 32 VAL HB 1 32 VAL MG2 2.330 . 2.981 1.754 1.662 1.922 0.017 18 0 "[ . 1 . 2]" 1
67 1 32 VAL MG2 1 46 ARG H 3.041 . 4.151 2.570 2.422 2.784 . 0 0 "[ . 1 . 2]" 1
68 1 32 VAL MG2 1 47 THR H 3.334 . 4.668 2.850 2.711 3.108 . 0 0 "[ . 1 . 2]" 1
69 1 35 LEU H 1 44 LEU HG 3.070 . 4.201 2.945 2.637 3.372 . 0 0 "[ . 1 . 2]" 1
70 1 35 LEU HB3 1 35 LEU MD1 2.276 . 2.898 1.986 1.962 2.006 . 0 0 "[ . 1 . 2]" 1
71 1 35 LEU MD1 1 46 ARG HB2 2.630 . 3.460 2.039 1.810 3.022 . 0 0 "[ . 1 . 2]" 1
72 1 35 LEU MD1 1 57 GLN HB3 2.935 . 3.969 3.736 2.756 4.519 0.550 7 4 "[ -.*+* 1 . 2]" 1
73 1 35 LEU MD1 1 57 GLN HB3 2.981 . 4.048 2.807 2.266 3.330 . 0 0 "[ . 1 . 2]" 1
74 1 35 LEU MD2 1 46 ARG HB2 2.852 . 3.828 2.980 1.891 3.846 0.018 15 0 "[ . 1 . 2]" 1
75 1 43 TRP H 1 43 TRP HD1 3.720 2.060 5.380 3.708 3.453 3.872 . 0 0 "[ . 1 . 2]" 1
76 1 43 TRP H 1 60 VAL MG2 3.100 . 4.253 3.779 3.385 4.341 0.088 20 0 "[ . 1 . 2]" 1
77 1 43 TRP HA 1 43 TRP QB 2.380 . 3.060 2.395 2.370 2.439 . 0 0 "[ . 1 . 2]" 1
78 1 43 TRP HA 1 59 TRP HE3 2.967 . 4.023 2.799 2.508 3.312 . 0 0 "[ . 1 . 2]" 1
79 1 43 TRP QB 1 45 VAL MG1 2.662 . 3.513 2.968 2.751 3.195 . 0 0 "[ . 1 . 2]" 1
80 1 43 TRP QB 1 60 VAL H 3.696 2.057 5.335 4.577 4.109 4.972 . 0 0 "[ . 1 . 2]" 1
81 1 43 TRP HB2 1 45 VAL MG2 3.192 . 4.415 3.760 3.238 4.334 . 0 0 "[ . 1 . 2]" 1
82 1 44 LEU HG 1 46 ARG H 3.371 2.007 4.735 3.685 3.596 3.816 . 0 0 "[ . 1 . 2]" 1
83 1 45 VAL MG1 1 45 VAL MG2 1.914 . 2.354 2.000 1.910 2.073 . 0 0 "[ . 1 . 2]" 1
84 1 45 VAL MG2 1 59 TRP HA 2.740 . 3.641 3.180 2.923 3.442 . 0 0 "[ . 1 . 2]" 1
85 1 46 ARG H 1 46 ARG HB2 2.946 . 3.988 2.863 2.213 3.294 . 0 0 "[ . 1 . 2]" 1
86 1 46 ARG HA 1 57 GLN QB 2.972 . 4.032 3.171 2.205 4.035 0.003 9 0 "[ . 1 . 2]" 1
87 1 46 ARG HA 1 57 GLN HB3 3.166 . 4.368 2.959 2.208 3.365 . 0 0 "[ . 1 . 2]" 1
88 1 46 ARG HB2 1 46 ARG HD2 2.495 . 3.242 2.200 2.114 2.295 . 0 0 "[ . 1 . 2]" 1
89 1 46 ARG HB2 1 46 ARG HD3 2.481 . 3.220 2.191 2.097 2.383 . 0 0 "[ . 1 . 2]" 1
90 1 46 ARG HB2 1 46 ARG HE 2.899 . 3.907 2.268 2.001 2.535 . 0 0 "[ . 1 . 2]" 1
91 1 46 ARG HB2 1 47 THR H 2.778 . 3.704 3.136 2.977 3.383 . 0 0 "[ . 1 . 2]" 1
92 1 46 ARG HB2 1 55 SER HB2 2.919 . 3.942 3.374 2.493 3.987 0.045 5 0 "[ . 1 . 2]" 1
93 1 46 ARG HB2 1 57 GLN QB 3.043 . 4.154 2.780 1.898 3.791 0.034 10 0 "[ . 1 . 2]" 1
94 1 47 THR MG 1 56 ARG HB2 3.065 . 4.192 3.896 3.237 4.200 0.008 9 0 "[ . 1 . 2]" 1
95 1 48 LYS HA 1 49 PRO QG 2.925 . 3.951 3.751 3.559 3.889 . 0 0 "[ . 1 . 2]" 1
96 1 49 PRO HB3 1 53 SER HA 3.312 . 4.628 4.690 4.600 4.721 0.093 6 0 "[ . 1 . 2]" 1
97 1 50 THR MG 1 53 SER H 3.383 2.009 4.757 3.710 2.473 4.607 . 0 0 "[ . 1 . 2]" 1
98 1 55 SER H 1 55 SER QB 2.234 . 2.833 2.506 2.171 2.736 . 0 0 "[ . 1 . 2]" 1
99 1 55 SER QB 1 56 ARG H 3.346 2.002 4.690 3.277 2.602 3.790 . 0 0 "[ . 1 . 2]" 1
100 1 56 ARG HA 1 56 ARG HB2 2.329 . 2.980 2.449 2.251 2.684 . 0 0 "[ . 1 . 2]" 1
101 1 56 ARG HA 1 56 ARG QD 2.807 . 3.752 2.762 1.971 3.846 0.094 5 0 "[ . 1 . 2]" 1
102 1 56 ARG HB2 1 56 ARG QD 2.883 . 3.881 3.017 2.356 3.516 . 0 0 "[ . 1 . 2]" 1
103 1 56 ARG HB3 1 56 ARG QD 2.948 . 3.991 2.608 2.234 3.506 . 0 0 "[ . 1 . 2]" 1
104 1 56 ARG QD 1 56 ARG HE 3.355 2.005 4.705 2.480 2.411 2.492 . 0 0 "[ . 1 . 2]" 1
105 1 57 GLN QB 1 57 GLN HE21 3.469 2.025 4.913 2.753 1.934 3.768 0.091 16 0 "[ . 1 . 2]" 1
106 1 57 GLN QB 1 57 GLN QG 1.811 . 2.205 2.065 2.005 2.086 . 0 0 "[ . 1 . 2]" 1
107 1 57 GLN HB3 1 57 GLN HE21 2.443 . 3.159 2.202 1.980 2.682 . 0 0 "[ . 1 . 2]" 1
108 1 57 GLN HB3 1 57 GLN HE22 2.916 . 3.936 3.164 3.075 3.404 . 0 0 "[ . 1 . 2]" 1
109 1 60 VAL HB 1 64 TYR H 3.766 2.064 5.468 5.081 4.905 5.436 . 0 0 "[ . 1 . 2]" 1
110 1 61 SER HB3 1 63 ALA MB 3.202 . 4.432 3.065 2.779 3.842 . 0 0 "[ . 1 . 2]" 1
111 1 65 LEU HB3 1 66 ASP HA 3.103 . 4.258 3.961 3.748 4.279 0.021 1 0 "[ . 1 . 2]" 1
112 1 65 LEU QD 1 66 ASP H 3.056 . 4.177 3.648 2.381 3.929 . 0 0 "[ . 1 . 2]" 1
113 1 67 ARG HA 1 67 ARG QD 3.227 . 4.477 3.943 2.309 4.505 0.028 5 0 "[ . 1 . 2]" 1
114 1 67 ARG QD 1 67 ARG HE 3.116 . 4.281 2.473 2.427 2.492 . 0 0 "[ . 1 . 2]" 1
115 1 67 ARG QD 1 67 ARG HG2 2.863 . 3.847 2.319 2.172 2.386 . 0 0 "[ . 1 . 2]" 1
116 1 67 ARG QD 1 67 ARG HG3 2.970 . 4.028 2.261 2.171 2.380 . 0 0 "[ . 1 . 2]" 1
117 1 69 LEU HA 1 69 LEU QB 2.249 . 2.856 2.222 2.145 2.458 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Tuesday, July 2, 2024 4:03:42 PM GMT (wattos1)