NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
646359 |
6okx   |
30599 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6okx
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 235
_Distance_constraint_stats_list.Viol_count 1879
_Distance_constraint_stats_list.Viol_total 6317.705
_Distance_constraint_stats_list.Viol_max 1.117
_Distance_constraint_stats_list.Viol_rms 0.1087
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0672
_Distance_constraint_stats_list.Viol_average_violations_only 0.1681
_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 2 SER 1.851 0.281 15 0 "[ . 1 . 2]"
1 3 VAL 8.970 0.281 15 0 "[ . 1 . 2]"
1 4 GLU 7.840 0.261 6 0 "[ . 1 . 2]"
1 5 LYS 6.864 0.394 12 0 "[ . 1 . 2]"
1 6 LEU 6.594 0.394 12 0 "[ . 1 . 2]"
1 7 THR 16.624 0.707 20 1 "[ . 1 . +]"
1 8 ALA 10.869 0.707 20 1 "[ . 1 . +]"
1 9 ASP 12.468 0.465 17 0 "[ . 1 . 2]"
1 10 ALA 12.113 0.277 10 0 "[ . 1 . 2]"
1 11 GLU 12.738 0.277 10 0 "[ . 1 . 2]"
1 12 LEU 24.271 1.117 18 13 "[ * * ***1 -* ***+**]"
1 13 GLN 11.804 0.256 4 0 "[ . 1 . 2]"
1 14 ARG 11.099 0.257 4 0 "[ . 1 . 2]"
1 15 LEU 11.084 0.269 13 0 "[ . 1 . 2]"
1 16 LYS 9.327 0.269 13 0 "[ . 1 . 2]"
1 17 ASN 7.562 0.257 16 0 "[ . 1 . 2]"
1 18 GLU 9.452 0.263 14 0 "[ . 1 . 2]"
1 19 ALA 11.389 0.263 14 0 "[ . 1 . 2]"
1 20 ALA 9.913 0.266 18 0 "[ . 1 . 2]"
1 21 GLU 10.657 0.267 1 0 "[ . 1 . 2]"
1 22 GLU 11.315 0.267 1 0 "[ . 1 . 2]"
1 23 ALA 12.402 0.276 14 0 "[ . 1 . 2]"
1 24 GLU 9.829 0.276 14 0 "[ . 1 . 2]"
1 25 LEU 10.333 0.272 19 0 "[ . 1 . 2]"
1 26 GLU 9.803 0.272 19 0 "[ . 1 . 2]"
1 27 ARG 10.582 0.263 4 0 "[ . 1 . 2]"
1 28 LEU 10.874 0.265 6 0 "[ . 1 . 2]"
1 29 LYS 10.728 0.265 6 0 "[ . 1 . 2]"
1 30 SER 6.789 0.274 2 0 "[ . 1 . 2]"
1 31 GLU 8.064 0.274 2 0 "[ . 1 . 2]"
1 32 ARG 7.071 0.259 7 0 "[ . 1 . 2]"
1 33 HIS 4.140 0.473 17 0 "[ . 1 . 2]"
1 34 ASP 4.560 0.473 17 0 "[ . 1 . 2]"
1 35 HIS 3.718 0.425 8 0 "[ . 1 . 2]"
1 36 ASP 6.607 0.425 8 0 "[ . 1 . 2]"
1 37 LYS 7.289 0.260 3 0 "[ . 1 . 2]"
1 38 LYS 10.018 0.260 3 0 "[ . 1 . 2]"
1 39 GLU 8.842 0.260 12 0 "[ . 1 . 2]"
1 40 ALA 9.628 0.255 3 0 "[ . 1 . 2]"
1 41 GLU 7.989 0.255 3 0 "[ . 1 . 2]"
1 42 ARG 12.121 0.276 7 0 "[ . 1 . 2]"
1 43 LYS 8.401 0.276 7 0 "[ . 1 . 2]"
1 44 ALA 8.475 0.247 9 0 "[ . 1 . 2]"
1 45 LEU 8.668 0.253 3 0 "[ . 1 . 2]"
1 46 GLU 9.070 0.265 20 0 "[ . 1 . 2]"
1 47 ASP 9.432 0.265 20 0 "[ . 1 . 2]"
1 48 LYS 10.098 0.595 17 1 "[ . 1 . + 2]"
1 49 LEU 8.925 0.595 17 1 "[ . 1 . + 2]"
1 50 ALA 9.392 0.585 19 1 "[ . 1 . +2]"
1 51 ASP 6.969 0.585 19 1 "[ . 1 . +2]"
1 52 TYR 4.204 0.253 13 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 2 SER HA 1 3 VAL H 3.500 3.000 4.000 3.369 2.776 3.556 0.224 1 0 "[ . 1 . 2]" 1
2 1 2 SER QB 1 3 VAL H 3.500 3.000 4.500 3.407 2.719 3.806 0.281 15 0 "[ . 1 . 2]" 1
3 1 3 VAL H 1 3 VAL HA 3.000 2.500 3.500 2.786 2.315 2.959 0.185 6 0 "[ . 1 . 2]" 1
4 1 3 VAL H 1 3 VAL HB 3.000 2.500 4.000 2.714 2.388 3.956 0.112 1 0 "[ . 1 . 2]" 1
5 1 3 VAL H 1 3 VAL QG 3.000 2.500 4.000 2.353 2.235 2.573 0.265 9 0 "[ . 1 . 2]" 1
6 1 3 VAL HA 1 4 GLU H 3.500 3.000 4.000 3.456 2.912 3.568 0.088 17 0 "[ . 1 . 2]" 1
7 1 3 VAL HB 1 4 GLU H 3.500 3.000 4.500 3.261 2.793 4.464 0.207 13 0 "[ . 1 . 2]" 1
8 1 4 GLU H 1 4 GLU HA 3.000 2.500 3.500 2.825 2.807 2.840 . 0 0 "[ . 1 . 2]" 1
9 1 4 GLU H 1 4 GLU QB 3.000 2.500 4.000 2.405 2.309 2.469 0.191 10 0 "[ . 1 . 2]" 1
10 1 4 GLU HA 1 5 LYS H 3.500 3.000 4.000 3.511 3.423 3.559 . 0 0 "[ . 1 . 2]" 1
11 1 4 GLU QB 1 5 LYS H 3.500 3.000 4.500 3.037 2.739 3.701 0.261 6 0 "[ . 1 . 2]" 1
12 1 5 LYS H 1 5 LYS HA 3.000 2.500 3.500 2.811 2.315 2.914 0.185 20 0 "[ . 1 . 2]" 1
13 1 5 LYS H 1 5 LYS QB 3.000 2.500 4.000 2.464 2.279 3.313 0.221 17 0 "[ . 1 . 2]" 1
14 1 5 LYS HA 1 6 LEU H 3.500 3.000 4.000 3.350 2.606 3.549 0.394 12 0 "[ . 1 . 2]" 1
15 1 6 LEU H 1 6 LEU HA 3.000 2.500 3.500 2.742 2.318 2.956 0.182 8 0 "[ . 1 . 2]" 1
16 1 6 LEU H 1 6 LEU QB 3.000 2.500 4.000 2.585 2.261 3.394 0.239 3 0 "[ . 1 . 2]" 1
17 1 6 LEU HA 1 7 THR H 3.500 3.000 4.000 3.390 2.948 3.546 0.052 15 0 "[ . 1 . 2]" 1
18 1 6 LEU QB 1 7 THR H 3.500 3.000 4.500 3.049 2.739 3.792 0.261 9 0 "[ . 1 . 2]" 1
19 1 7 THR H 1 7 THR HA 3.000 2.500 3.500 2.841 2.813 2.962 . 0 0 "[ . 1 . 2]" 1
20 1 7 THR H 1 7 THR HB 3.000 2.500 4.000 2.726 2.486 3.757 0.014 4 0 "[ . 1 . 2]" 1
21 1 7 THR H 1 7 THR HG1 3.000 2.500 4.500 2.907 2.354 3.270 0.146 9 0 "[ . 1 . 2]" 1
22 1 7 THR HA 1 8 ALA H 3.500 3.000 4.000 3.488 2.293 3.572 0.707 20 1 "[ . 1 . +]" 1
23 1 7 THR HA 1 9 ASP H 4.400 3.900 5.400 3.863 3.554 4.046 0.346 9 0 "[ . 1 . 2]" 1
24 1 7 THR HA 1 10 ALA H 3.500 3.000 4.000 3.795 3.488 4.250 0.250 20 0 "[ . 1 . 2]" 1
25 1 7 THR HB 1 8 ALA H 3.500 3.000 4.500 2.939 2.666 4.183 0.334 1 0 "[ . 1 . 2]" 1
26 1 7 THR HB 1 9 ASP H 3.500 3.000 4.500 4.761 3.962 4.965 0.465 17 0 "[ . 1 . 2]" 1
27 1 8 ALA H 1 8 ALA HA 3.000 2.500 3.500 2.847 2.804 2.896 . 0 0 "[ . 1 . 2]" 1
28 1 8 ALA H 1 8 ALA MB 3.000 2.500 4.000 2.277 2.257 2.298 0.243 20 0 "[ . 1 . 2]" 1
29 1 8 ALA HA 1 9 ASP H 3.500 3.000 4.000 3.426 3.387 3.541 . 0 0 "[ . 1 . 2]" 1
30 1 8 ALA MB 1 9 ASP H 3.500 3.000 4.500 2.959 2.714 3.077 0.286 20 0 "[ . 1 . 2]" 1
31 1 9 ASP H 1 9 ASP HA 3.000 2.500 3.500 2.844 2.823 2.895 . 0 0 "[ . 1 . 2]" 1
32 1 9 ASP H 1 9 ASP QB 3.000 2.500 4.000 2.409 2.323 2.497 0.177 19 0 "[ . 1 . 2]" 1
33 1 9 ASP H 1 10 ALA H 2.800 2.300 3.300 2.611 2.428 2.691 . 0 0 "[ . 1 . 2]" 1
34 1 9 ASP HA 1 10 ALA H 3.500 3.000 4.000 3.481 3.400 3.540 . 0 0 "[ . 1 . 2]" 1
35 1 9 ASP HA 1 11 GLU H 4.400 3.900 4.900 4.035 3.877 4.189 0.023 14 0 "[ . 1 . 2]" 1
36 1 9 ASP HA 1 12 LEU H 3.500 3.000 4.000 3.372 3.184 3.625 . 0 0 "[ . 1 . 2]" 1
37 1 9 ASP QB 1 10 ALA H 3.500 3.000 4.500 3.061 2.755 3.703 0.245 2 0 "[ . 1 . 2]" 1
38 1 10 ALA H 1 10 ALA HA 3.000 2.500 3.500 2.821 2.812 2.833 . 0 0 "[ . 1 . 2]" 1
39 1 10 ALA H 1 10 ALA MB 3.000 2.500 4.000 2.269 2.260 2.279 0.240 10 0 "[ . 1 . 2]" 1
40 1 10 ALA HA 1 11 GLU H 3.500 3.000 4.000 3.530 3.470 3.556 . 0 0 "[ . 1 . 2]" 1
41 1 10 ALA HA 1 12 LEU H 4.400 3.900 4.900 4.145 3.836 4.273 0.064 3 0 "[ . 1 . 2]" 1
42 1 10 ALA MB 1 11 GLU H 3.500 3.000 4.500 2.771 2.723 2.893 0.277 10 0 "[ . 1 . 2]" 1
43 1 11 GLU H 1 11 GLU HA 3.000 2.500 3.500 2.830 2.804 2.860 . 0 0 "[ . 1 . 2]" 1
44 1 11 GLU H 1 11 GLU QB 3.000 2.500 4.000 2.383 2.302 2.413 0.198 7 0 "[ . 1 . 2]" 1
45 1 11 GLU H 1 11 GLU QG 3.000 2.500 4.000 2.742 2.339 4.069 0.161 16 0 "[ . 1 . 2]" 1
46 1 11 GLU H 1 12 LEU H 2.800 2.300 3.300 2.654 2.517 2.739 . 0 0 "[ . 1 . 2]" 1
47 1 11 GLU HA 1 12 LEU H 3.500 3.000 4.000 3.524 3.454 3.559 . 0 0 "[ . 1 . 2]" 1
48 1 11 GLU QB 1 12 LEU H 3.500 3.000 4.500 2.871 2.736 3.613 0.264 7 0 "[ . 1 . 2]" 1
49 1 12 LEU H 1 12 LEU HA 3.000 2.500 3.500 2.836 2.809 2.900 . 0 0 "[ . 1 . 2]" 1
50 1 12 LEU H 1 12 LEU QB 3.000 2.500 4.000 2.388 2.265 2.429 0.235 4 0 "[ . 1 . 2]" 1
51 1 12 LEU H 1 12 LEU HG 4.000 3.500 5.000 2.876 2.383 4.384 1.117 18 13 "[ * * ***1 -* ***+**]" 1
52 1 12 LEU HA 1 13 GLN H 3.500 3.000 4.000 3.512 3.405 3.557 . 0 0 "[ . 1 . 2]" 1
53 1 12 LEU QB 1 13 GLN H 3.500 3.000 4.500 2.822 2.744 3.109 0.256 4 0 "[ . 1 . 2]" 1
54 1 13 GLN H 1 13 GLN HA 3.000 2.500 3.500 2.828 2.776 2.863 . 0 0 "[ . 1 . 2]" 1
55 1 13 GLN H 1 13 GLN QB 3.000 2.500 4.000 2.389 2.309 2.405 0.191 12 0 "[ . 1 . 2]" 1
56 1 13 GLN H 1 13 GLN QG 3.000 2.500 4.000 2.587 2.367 3.979 0.133 20 0 "[ . 1 . 2]" 1
57 1 13 GLN HA 1 14 ARG H 3.500 3.000 4.000 3.523 3.439 3.543 . 0 0 "[ . 1 . 2]" 1
58 1 13 GLN QB 1 14 ARG H 3.500 3.000 4.500 2.876 2.752 3.660 0.248 16 0 "[ . 1 . 2]" 1
59 1 14 ARG H 1 14 ARG HA 3.000 2.500 3.500 2.821 2.810 2.842 . 0 0 "[ . 1 . 2]" 1
60 1 14 ARG H 1 14 ARG QB 3.000 2.500 4.000 2.358 2.291 2.467 0.209 11 0 "[ . 1 . 2]" 1
61 1 14 ARG HA 1 15 LEU H 3.500 3.000 4.000 3.534 3.470 3.563 . 0 0 "[ . 1 . 2]" 1
62 1 14 ARG QB 1 15 LEU H 3.500 3.000 4.500 2.777 2.743 2.905 0.257 4 0 "[ . 1 . 2]" 1
63 1 14 ARG QG 1 15 LEU H 3.500 3.000 4.500 3.920 3.606 4.225 . 0 0 "[ . 1 . 2]" 1
64 1 15 LEU H 1 15 LEU HA 3.000 2.500 3.500 2.831 2.820 2.884 . 0 0 "[ . 1 . 2]" 1
65 1 15 LEU H 1 15 LEU QB 3.000 2.500 4.000 2.376 2.303 2.448 0.197 4 0 "[ . 1 . 2]" 1
66 1 15 LEU HA 1 16 LYS H 3.500 3.000 4.000 3.521 3.399 3.550 . 0 0 "[ . 1 . 2]" 1
67 1 15 LEU HA 1 18 GLU H 3.500 3.000 4.000 3.503 3.310 3.841 . 0 0 "[ . 1 . 2]" 1
68 1 15 LEU QB 1 16 LYS H 3.500 3.000 4.500 2.797 2.731 3.088 0.269 13 0 "[ . 1 . 2]" 1
69 1 16 LYS H 1 16 LYS HA 3.000 2.500 3.500 2.836 2.818 2.874 . 0 0 "[ . 1 . 2]" 1
70 1 16 LYS H 1 16 LYS QB 3.000 2.500 4.000 2.377 2.301 2.475 0.199 3 0 "[ . 1 . 2]" 1
71 1 16 LYS H 1 17 ASN H 2.800 2.300 3.300 2.610 2.456 2.709 . 0 0 "[ . 1 . 2]" 1
72 1 16 LYS HA 1 17 ASN H 3.500 3.000 4.000 3.494 3.398 3.548 . 0 0 "[ . 1 . 2]" 1
73 1 16 LYS QB 1 17 ASN H 3.500 3.000 4.500 2.868 2.743 3.082 0.257 16 0 "[ . 1 . 2]" 1
74 1 17 ASN H 1 17 ASN HA 3.000 2.500 3.500 2.871 2.817 2.951 . 0 0 "[ . 1 . 2]" 1
75 1 17 ASN H 1 17 ASN QB 3.000 2.500 4.000 2.394 2.299 2.561 0.201 11 0 "[ . 1 . 2]" 1
76 1 17 ASN H 1 18 GLU H 2.800 2.300 3.300 2.603 2.418 2.700 . 0 0 "[ . 1 . 2]" 1
77 1 17 ASN HA 1 18 GLU H 3.500 3.000 4.000 3.383 3.058 3.542 . 0 0 "[ . 1 . 2]" 1
78 1 17 ASN QB 1 18 GLU H 3.500 3.000 4.500 3.147 2.755 3.898 0.245 17 0 "[ . 1 . 2]" 1
79 1 18 GLU H 1 18 GLU HA 3.000 2.500 3.500 2.826 2.815 2.846 . 0 0 "[ . 1 . 2]" 1
80 1 18 GLU H 1 18 GLU QB 3.000 2.500 4.000 2.359 2.305 2.467 0.195 5 0 "[ . 1 . 2]" 1
81 1 18 GLU H 1 19 ALA H 2.800 2.300 3.300 2.655 2.552 2.686 . 0 0 "[ . 1 . 2]" 1
82 1 18 GLU HA 1 19 ALA H 3.500 3.000 4.000 3.518 3.421 3.546 . 0 0 "[ . 1 . 2]" 1
83 1 18 GLU QB 1 19 ALA H 3.500 3.000 4.500 2.900 2.737 3.676 0.263 14 0 "[ . 1 . 2]" 1
84 1 19 ALA H 1 19 ALA HA 3.000 2.500 3.500 2.825 2.819 2.838 . 0 0 "[ . 1 . 2]" 1
85 1 19 ALA H 1 19 ALA MB 3.000 2.500 4.000 2.273 2.265 2.277 0.235 1 0 "[ . 1 . 2]" 1
86 1 19 ALA H 1 21 GLU H 4.200 3.700 4.700 4.216 4.016 4.368 . 0 0 "[ . 1 . 2]" 1
87 1 19 ALA HA 1 20 ALA H 3.500 3.000 4.000 3.484 3.455 3.540 . 0 0 "[ . 1 . 2]" 1
88 1 19 ALA HA 1 22 GLU H 3.500 3.000 4.000 3.453 3.281 4.033 0.033 14 0 "[ . 1 . 2]" 1
89 1 19 ALA MB 1 20 ALA H 3.500 3.000 4.500 2.859 2.738 2.923 0.262 1 0 "[ . 1 . 2]" 1
90 1 20 ALA H 1 20 ALA HA 3.000 2.500 3.500 2.831 2.819 2.920 . 0 0 "[ . 1 . 2]" 1
91 1 20 ALA H 1 20 ALA MB 3.000 2.500 4.000 2.280 2.267 2.314 0.233 5 0 "[ . 1 . 2]" 1
92 1 20 ALA H 1 21 GLU H 2.800 2.300 3.300 2.622 2.330 2.695 . 0 0 "[ . 1 . 2]" 1
93 1 20 ALA HA 1 21 GLU H 3.500 3.000 4.000 3.480 3.427 3.538 . 0 0 "[ . 1 . 2]" 1
94 1 20 ALA MB 1 21 GLU H 3.500 3.000 4.500 2.865 2.734 3.001 0.266 18 0 "[ . 1 . 2]" 1
95 1 21 GLU H 1 21 GLU HA 3.000 2.500 3.500 2.824 2.819 2.826 . 0 0 "[ . 1 . 2]" 1
96 1 21 GLU H 1 21 GLU QB 3.000 2.500 4.000 2.347 2.304 2.424 0.196 9 0 "[ . 1 . 2]" 1
97 1 21 GLU HA 1 22 GLU H 3.500 3.000 4.000 3.542 3.531 3.566 . 0 0 "[ . 1 . 2]" 1
98 1 21 GLU QB 1 22 GLU H 3.500 3.000 4.500 2.755 2.733 2.773 0.267 1 0 "[ . 1 . 2]" 1
99 1 22 GLU H 1 22 GLU HA 3.000 2.500 3.500 2.827 2.819 2.852 . 0 0 "[ . 1 . 2]" 1
100 1 22 GLU H 1 22 GLU QB 3.000 2.500 4.000 2.382 2.300 2.481 0.200 5 0 "[ . 1 . 2]" 1
101 1 22 GLU H 1 23 ALA H 2.800 2.300 3.300 2.653 2.555 2.697 . 0 0 "[ . 1 . 2]" 1
102 1 22 GLU HA 1 23 ALA H 3.500 3.000 4.000 3.522 3.427 3.544 . 0 0 "[ . 1 . 2]" 1
103 1 22 GLU QB 1 23 ALA H 3.500 3.000 4.500 2.833 2.747 3.685 0.253 10 0 "[ . 1 . 2]" 1
104 1 23 ALA H 1 23 ALA HA 3.000 2.500 3.500 2.821 2.815 2.827 . 0 0 "[ . 1 . 2]" 1
105 1 23 ALA H 1 23 ALA MB 3.000 2.500 4.000 2.273 2.262 2.296 0.238 4 0 "[ . 1 . 2]" 1
106 1 23 ALA H 1 24 GLU H 2.800 2.300 3.300 2.673 2.620 2.729 . 0 0 "[ . 1 . 2]" 1
107 1 23 ALA HA 1 24 GLU H 3.500 3.000 4.000 3.509 3.446 3.546 . 0 0 "[ . 1 . 2]" 1
108 1 23 ALA HA 1 26 GLU H 3.500 3.000 4.000 3.449 3.238 4.023 0.023 4 0 "[ . 1 . 2]" 1
109 1 23 ALA MB 1 24 GLU H 3.500 3.000 4.500 2.808 2.724 2.976 0.276 14 0 "[ . 1 . 2]" 1
110 1 24 GLU H 1 24 GLU HA 3.000 2.500 3.500 2.830 2.811 2.911 . 0 0 "[ . 1 . 2]" 1
111 1 24 GLU H 1 24 GLU QB 3.000 2.500 4.000 2.373 2.306 2.444 0.194 14 0 "[ . 1 . 2]" 1
112 1 24 GLU HA 1 25 LEU H 3.500 3.000 4.000 3.510 3.424 3.552 . 0 0 "[ . 1 . 2]" 1
113 1 24 GLU HA 1 27 ARG H 3.500 3.000 4.000 3.475 3.312 4.010 0.010 11 0 "[ . 1 . 2]" 1
114 1 24 GLU QB 1 25 LEU H 3.500 3.000 4.500 2.864 2.735 3.657 0.265 14 0 "[ . 1 . 2]" 1
115 1 25 LEU H 1 25 LEU HA 3.000 2.500 3.500 2.825 2.795 2.844 . 0 0 "[ . 1 . 2]" 1
116 1 25 LEU H 1 25 LEU QB 3.000 2.500 4.000 2.360 2.295 2.470 0.205 7 0 "[ . 1 . 2]" 1
117 1 25 LEU HA 1 26 GLU H 3.500 3.000 4.000 3.525 3.436 3.578 . 0 0 "[ . 1 . 2]" 1
118 1 25 LEU QB 1 26 GLU H 3.500 3.000 4.500 2.797 2.728 3.030 0.272 19 0 "[ . 1 . 2]" 1
119 1 26 GLU H 1 26 GLU HA 3.000 2.500 3.500 2.821 2.798 2.859 . 0 0 "[ . 1 . 2]" 1
120 1 26 GLU H 1 26 GLU QB 3.000 2.500 4.000 2.380 2.300 2.508 0.200 5 0 "[ . 1 . 2]" 1
121 1 26 GLU H 1 27 ARG H 2.800 2.300 3.300 2.669 2.517 2.716 . 0 0 "[ . 1 . 2]" 1
122 1 26 GLU HA 1 27 ARG H 3.500 3.000 4.000 3.510 3.425 3.549 . 0 0 "[ . 1 . 2]" 1
123 1 26 GLU QB 1 27 ARG H 3.500 3.000 4.500 2.941 2.743 3.696 0.257 12 0 "[ . 1 . 2]" 1
124 1 27 ARG H 1 27 ARG HA 3.000 2.500 3.500 2.818 2.759 2.826 . 0 0 "[ . 1 . 2]" 1
125 1 27 ARG H 1 27 ARG QB 3.000 2.500 4.000 2.368 2.300 2.418 0.200 9 0 "[ . 1 . 2]" 1
126 1 27 ARG H 1 28 LEU H 2.800 2.300 3.300 2.693 2.653 2.775 . 0 0 "[ . 1 . 2]" 1
127 1 27 ARG HA 1 28 LEU H 3.500 3.000 4.000 3.535 3.404 3.556 . 0 0 "[ . 1 . 2]" 1
128 1 27 ARG QB 1 28 LEU H 3.500 3.000 4.500 2.802 2.737 3.687 0.263 4 0 "[ . 1 . 2]" 1
129 1 28 LEU H 1 28 LEU HA 3.000 2.500 3.500 2.838 2.800 2.904 . 0 0 "[ . 1 . 2]" 1
130 1 28 LEU H 1 28 LEU QB 3.000 2.500 4.000 2.379 2.291 2.448 0.209 18 0 "[ . 1 . 2]" 1
131 1 28 LEU H 1 29 LYS H 2.800 2.300 3.300 2.614 2.367 2.790 . 0 0 "[ . 1 . 2]" 1
132 1 28 LEU HA 1 29 LYS H 3.500 3.000 4.000 3.511 3.399 3.559 . 0 0 "[ . 1 . 2]" 1
133 1 28 LEU HA 1 30 SER H 4.400 3.900 4.900 4.105 3.837 4.293 0.063 18 0 "[ . 1 . 2]" 1
134 1 28 LEU QB 1 29 LYS H 3.500 3.000 4.500 2.828 2.735 3.115 0.265 6 0 "[ . 1 . 2]" 1
135 1 29 LYS H 1 29 LYS HA 3.000 2.500 3.500 2.822 2.798 2.839 . 0 0 "[ . 1 . 2]" 1
136 1 29 LYS H 1 29 LYS QB 3.000 2.500 4.000 2.349 2.289 2.473 0.211 16 0 "[ . 1 . 2]" 1
137 1 29 LYS HA 1 30 SER H 3.500 3.000 4.000 3.530 3.477 3.558 . 0 0 "[ . 1 . 2]" 1
138 1 29 LYS HA 1 32 ARG H 3.500 3.000 4.000 3.455 3.266 4.037 0.037 16 0 "[ . 1 . 2]" 1
139 1 29 LYS QB 1 30 SER H 3.500 3.000 4.500 2.834 2.739 3.612 0.261 15 0 "[ . 1 . 2]" 1
140 1 30 SER H 1 30 SER HA 3.000 2.500 3.500 2.820 2.800 2.829 . 0 0 "[ . 1 . 2]" 1
141 1 30 SER H 1 30 SER QB 3.000 2.500 4.000 2.442 2.308 2.480 0.192 10 0 "[ . 1 . 2]" 1
142 1 30 SER HA 1 31 GLU H 3.500 3.000 4.000 3.501 3.417 3.550 . 0 0 "[ . 1 . 2]" 1
143 1 30 SER QB 1 31 GLU H 3.500 3.000 4.500 3.250 2.726 3.657 0.274 2 0 "[ . 1 . 2]" 1
144 1 31 GLU H 1 31 GLU HA 3.000 2.500 3.500 2.825 2.812 2.832 . 0 0 "[ . 1 . 2]" 1
145 1 31 GLU H 1 31 GLU QB 3.000 2.500 4.000 2.391 2.311 2.466 0.189 18 0 "[ . 1 . 2]" 1
146 1 31 GLU HA 1 32 ARG H 3.500 3.000 4.000 3.529 3.439 3.550 . 0 0 "[ . 1 . 2]" 1
147 1 31 GLU QB 1 32 ARG H 3.500 3.000 4.500 2.821 2.741 3.690 0.259 7 0 "[ . 1 . 2]" 1
148 1 32 ARG H 1 32 ARG HA 3.000 2.500 3.500 2.548 2.311 2.972 0.189 15 0 "[ . 1 . 2]" 1
149 1 32 ARG H 1 32 ARG QB 3.000 2.500 4.000 2.872 2.293 3.338 0.207 17 0 "[ . 1 . 2]" 1
150 1 33 HIS H 1 33 HIS HA 3.000 2.500 3.500 2.844 2.319 2.957 0.181 5 0 "[ . 1 . 2]" 1
151 1 33 HIS H 1 33 HIS QB 3.000 2.500 4.000 2.477 2.288 3.358 0.212 10 0 "[ . 1 . 2]" 1
152 1 33 HIS HA 1 34 ASP H 3.500 3.000 4.000 3.274 2.527 3.565 0.473 17 0 "[ . 1 . 2]" 1
153 1 34 ASP H 1 34 ASP HA 3.000 2.500 3.500 2.819 2.318 2.965 0.182 15 0 "[ . 1 . 2]" 1
154 1 34 ASP H 1 34 ASP QB 3.000 2.500 4.000 2.605 2.330 3.219 0.170 19 0 "[ . 1 . 2]" 1
155 1 34 ASP QB 1 35 HIS H 3.500 3.000 4.500 3.292 2.753 4.021 0.247 1 0 "[ . 1 . 2]" 1
156 1 35 HIS H 1 35 HIS HA 3.000 2.500 3.500 2.854 2.318 2.973 0.182 16 0 "[ . 1 . 2]" 1
157 1 35 HIS H 1 35 HIS QB 3.000 2.500 4.000 2.610 2.306 3.359 0.194 10 0 "[ . 1 . 2]" 1
158 1 35 HIS HA 1 36 ASP H 3.500 3.000 4.000 3.225 2.575 3.549 0.425 8 0 "[ . 1 . 2]" 1
159 1 35 HIS QB 1 36 ASP H 3.500 3.000 4.500 3.433 2.761 4.014 0.239 10 0 "[ . 1 . 2]" 1
160 1 36 ASP H 1 36 ASP HA 3.000 2.500 3.500 2.775 2.314 2.941 0.186 8 0 "[ . 1 . 2]" 1
161 1 36 ASP H 1 36 ASP QB 3.000 2.500 4.000 2.543 2.301 3.282 0.199 14 0 "[ . 1 . 2]" 1
162 1 36 ASP H 1 37 LYS H 2.800 2.300 3.300 2.631 2.338 2.810 . 0 0 "[ . 1 . 2]" 1
163 1 36 ASP HA 1 37 LYS H 3.500 3.000 4.000 3.341 2.871 3.544 0.129 13 0 "[ . 1 . 2]" 1
164 1 36 ASP HA 1 38 LYS H . 3.700 4.000 3.826 3.548 4.111 0.152 5 0 "[ . 1 . 2]" 1
165 1 36 ASP HA 1 39 GLU H 3.500 3.000 4.000 3.506 3.178 4.087 0.087 16 0 "[ . 1 . 2]" 1
166 1 36 ASP QB 1 37 LYS H 3.500 3.000 4.500 3.284 2.750 3.911 0.250 6 0 "[ . 1 . 2]" 1
167 1 37 LYS H 1 37 LYS HA 3.000 2.500 3.500 2.831 2.807 2.926 . 0 0 "[ . 1 . 2]" 1
168 1 37 LYS H 1 37 LYS QB 3.000 2.500 4.000 2.391 2.296 2.494 0.204 18 0 "[ . 1 . 2]" 1
169 1 37 LYS QB 1 38 LYS H 3.500 3.000 4.500 2.957 2.740 3.719 0.260 3 0 "[ . 1 . 2]" 1
170 1 38 LYS H 1 38 LYS HA 3.000 2.500 3.500 2.820 2.804 2.848 . 0 0 "[ . 1 . 2]" 1
171 1 38 LYS H 1 38 LYS QB 3.000 2.500 4.000 2.392 2.299 2.463 0.201 11 0 "[ . 1 . 2]" 1
172 1 38 LYS HA 1 39 GLU H 3.500 3.000 4.000 3.524 3.444 3.566 . 0 0 "[ . 1 . 2]" 1
173 1 38 LYS QB 1 39 GLU H 3.500 3.000 4.500 2.906 2.740 3.649 0.260 12 0 "[ . 1 . 2]" 1
174 1 39 GLU H 1 39 GLU HA 3.000 2.500 3.500 2.831 2.808 2.852 . 0 0 "[ . 1 . 2]" 1
175 1 39 GLU H 1 39 GLU QB 3.000 2.500 4.000 2.406 2.312 2.451 0.188 10 0 "[ . 1 . 2]" 1
176 1 39 GLU HA 1 40 ALA H 3.500 3.000 4.000 3.500 3.426 3.538 . 0 0 "[ . 1 . 2]" 1
177 1 39 GLU QB 1 40 ALA H 3.500 3.000 4.500 2.914 2.761 3.676 0.239 20 0 "[ . 1 . 2]" 1
178 1 40 ALA H 1 40 ALA HA 3.000 2.500 3.500 2.832 2.816 2.903 . 0 0 "[ . 1 . 2]" 1
179 1 40 ALA H 1 40 ALA MB 3.000 2.500 4.000 2.276 2.266 2.299 0.234 14 0 "[ . 1 . 2]" 1
180 1 40 ALA HA 1 41 GLU H 3.500 3.000 4.000 3.457 3.394 3.531 . 0 0 "[ . 1 . 2]" 1
181 1 40 ALA HA 1 42 ARG H 3.500 3.000 4.000 3.942 3.457 4.068 0.068 10 0 "[ . 1 . 2]" 1
182 1 40 ALA HA 1 43 LYS H 3.500 3.000 4.000 3.427 3.218 3.915 . 0 0 "[ . 1 . 2]" 1
183 1 40 ALA MB 1 41 GLU H 3.500 3.000 4.500 2.918 2.745 3.052 0.255 3 0 "[ . 1 . 2]" 1
184 1 41 GLU H 1 41 GLU HA 3.000 2.500 3.500 2.820 2.805 2.835 . 0 0 "[ . 1 . 2]" 1
185 1 41 GLU H 1 41 GLU QB 3.000 2.500 4.000 2.371 2.291 2.452 0.209 3 0 "[ . 1 . 2]" 1
186 1 41 GLU HA 1 42 ARG H 3.500 3.000 4.000 3.520 3.431 3.557 . 0 0 "[ . 1 . 2]" 1
187 1 41 GLU QB 1 42 ARG H 3.500 3.000 4.500 2.850 2.745 3.662 0.255 1 0 "[ . 1 . 2]" 1
188 1 42 ARG H 1 42 ARG HA 3.000 2.500 3.500 2.819 2.799 2.849 . 0 0 "[ . 1 . 2]" 1
189 1 42 ARG H 1 42 ARG QB 3.000 2.500 4.000 2.375 2.286 2.484 0.214 10 0 "[ . 1 . 2]" 1
190 1 42 ARG H 1 43 LYS H 2.800 2.300 3.300 2.670 2.533 2.720 . 0 0 "[ . 1 . 2]" 1
191 1 42 ARG HA 1 43 LYS H 3.500 3.000 4.000 3.511 3.410 3.546 . 0 0 "[ . 1 . 2]" 1
192 1 42 ARG HA 1 45 LEU H 4.400 3.900 4.900 3.807 3.721 3.865 0.179 17 0 "[ . 1 . 2]" 1
193 1 42 ARG QB 1 43 LYS H 3.500 3.000 4.500 2.919 2.724 3.618 0.276 7 0 "[ . 1 . 2]" 1
194 1 43 LYS H 1 43 LYS HA 3.000 2.500 3.500 2.834 2.790 2.867 . 0 0 "[ . 1 . 2]" 1
195 1 43 LYS H 1 43 LYS QB 3.000 2.500 4.000 2.358 2.299 2.465 0.201 2 0 "[ . 1 . 2]" 1
196 1 43 LYS HA 1 44 ALA H 3.500 3.000 4.000 3.484 3.418 3.549 . 0 0 "[ . 1 . 2]" 1
197 1 43 LYS QB 1 44 ALA H 3.500 3.000 4.500 2.975 2.770 3.699 0.230 10 0 "[ . 1 . 2]" 1
198 1 44 ALA H 1 44 ALA HA 3.000 2.500 3.500 2.815 2.800 2.825 . 0 0 "[ . 1 . 2]" 1
199 1 44 ALA H 1 44 ALA MB 3.000 2.500 4.000 2.274 2.259 2.284 0.241 7 0 "[ . 1 . 2]" 1
200 1 44 ALA HA 1 45 LEU H 3.500 3.000 4.000 3.466 3.383 3.574 . 0 0 "[ . 1 . 2]" 1
201 1 44 ALA HA 1 47 ASP H 3.500 3.000 4.000 3.514 3.304 3.949 . 0 0 "[ . 1 . 2]" 1
202 1 44 ALA MB 1 45 LEU H 3.500 3.000 4.500 2.900 2.753 3.049 0.247 9 0 "[ . 1 . 2]" 1
203 1 45 LEU H 1 45 LEU HA 3.000 2.500 3.500 2.841 2.794 2.891 . 0 0 "[ . 1 . 2]" 1
204 1 45 LEU H 1 45 LEU QB 3.000 2.500 4.000 2.402 2.296 2.449 0.204 16 0 "[ . 1 . 2]" 1
205 1 45 LEU H 1 46 GLU H 2.800 2.300 3.300 2.588 2.419 2.809 . 0 0 "[ . 1 . 2]" 1
206 1 45 LEU HA 1 46 GLU H 3.500 3.000 4.000 3.487 3.372 3.563 . 0 0 "[ . 1 . 2]" 1
207 1 45 LEU QB 1 46 GLU H 3.500 3.000 4.500 2.919 2.747 3.602 0.253 3 0 "[ . 1 . 2]" 1
208 1 46 GLU H 1 46 GLU HA 3.000 2.500 3.500 2.826 2.817 2.850 . 0 0 "[ . 1 . 2]" 1
209 1 46 GLU H 1 46 GLU QB 3.000 2.500 4.000 2.375 2.296 2.440 0.204 19 0 "[ . 1 . 2]" 1
210 1 46 GLU HA 1 47 ASP H 3.500 3.000 4.000 3.510 3.331 3.550 . 0 0 "[ . 1 . 2]" 1
211 1 46 GLU QB 1 47 ASP H 3.500 3.000 4.500 2.861 2.735 3.825 0.265 20 0 "[ . 1 . 2]" 1
212 1 46 GLU QG 1 47 ASP H 3.500 3.000 4.500 3.950 2.854 4.235 0.146 16 0 "[ . 1 . 2]" 1
213 1 47 ASP H 1 47 ASP HA 3.000 2.500 3.500 2.658 2.309 2.910 0.191 4 0 "[ . 1 . 2]" 1
214 1 47 ASP H 1 47 ASP QB 3.000 2.500 4.000 2.656 2.307 3.286 0.193 11 0 "[ . 1 . 2]" 1
215 1 47 ASP H 1 48 LYS H 2.800 2.300 3.300 2.689 2.434 2.795 . 0 0 "[ . 1 . 2]" 1
216 1 47 ASP HA 1 48 LYS H 3.500 3.000 4.000 3.261 2.861 3.544 0.139 16 0 "[ . 1 . 2]" 1
217 1 47 ASP QB 1 48 LYS H 3.500 3.000 4.500 3.307 2.747 3.898 0.253 11 0 "[ . 1 . 2]" 1
218 1 48 LYS H 1 48 LYS HA 3.000 2.500 3.500 2.654 2.320 2.971 0.180 9 0 "[ . 1 . 2]" 1
219 1 48 LYS H 1 48 LYS QB 3.000 2.500 4.000 2.654 2.297 3.311 0.203 8 0 "[ . 1 . 2]" 1
220 1 48 LYS HA 1 49 LEU H 3.500 3.000 4.000 3.263 2.405 3.552 0.595 17 1 "[ . 1 . + 2]" 1
221 1 48 LYS QB 1 49 LEU H 3.500 3.000 4.500 3.180 2.738 3.854 0.262 7 0 "[ . 1 . 2]" 1
222 1 49 LEU H 1 49 LEU HA 3.000 2.500 3.500 2.747 2.312 2.916 0.188 17 0 "[ . 1 . 2]" 1
223 1 49 LEU H 1 49 LEU QB 3.000 2.500 4.000 2.612 2.294 3.364 0.206 12 0 "[ . 1 . 2]" 1
224 1 49 LEU HA 1 50 ALA H 3.500 3.000 4.000 3.364 2.870 3.552 0.130 1 0 "[ . 1 . 2]" 1
225 1 49 LEU QB 1 50 ALA H 3.500 3.000 4.500 3.145 2.731 3.877 0.269 11 0 "[ . 1 . 2]" 1
226 1 50 ALA H 1 50 ALA HA 3.000 2.500 3.500 2.736 2.314 2.927 0.186 13 0 "[ . 1 . 2]" 1
227 1 50 ALA H 1 50 ALA MB 3.000 2.500 4.000 2.432 2.263 2.890 0.237 12 0 "[ . 1 . 2]" 1
228 1 50 ALA HA 1 51 ASP H 3.500 3.000 4.000 3.309 2.415 3.545 0.585 19 1 "[ . 1 . +2]" 1
229 1 50 ALA MB 1 51 ASP H 3.500 3.000 4.500 3.045 2.735 3.620 0.265 20 0 "[ . 1 . 2]" 1
230 1 51 ASP H 1 51 ASP HA 3.000 2.500 3.500 2.826 2.327 2.921 0.173 11 0 "[ . 1 . 2]" 1
231 1 51 ASP H 1 51 ASP QB 3.000 2.500 4.000 2.510 2.307 3.259 0.193 4 0 "[ . 1 . 2]" 1
232 1 51 ASP HA 1 52 TYR H 3.500 3.000 4.000 3.400 2.860 3.554 0.140 11 0 "[ . 1 . 2]" 1
233 1 51 ASP QB 1 52 TYR H 3.500 3.000 4.500 3.288 2.747 3.922 0.253 13 0 "[ . 1 . 2]" 1
234 1 52 TYR H 1 52 TYR HA 3.000 2.500 3.500 2.670 2.317 2.953 0.183 11 0 "[ . 1 . 2]" 1
235 1 52 TYR H 1 52 TYR QB 3.000 2.500 4.000 2.899 2.295 3.341 0.205 19 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Tuesday, June 25, 2024 7:19:19 AM GMT (wattos1)