NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
396670 |
1smz   |
6151 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1smz
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 177
_Distance_constraint_stats_list.Viol_count 465
_Distance_constraint_stats_list.Viol_total 509.388
_Distance_constraint_stats_list.Viol_max 0.156
_Distance_constraint_stats_list.Viol_rms 0.0189
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0046
_Distance_constraint_stats_list.Viol_average_violations_only 0.0438
_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 1 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 2 TRP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 3 THR 1.185 0.156 20 0 "[ . 1 . 2 .]"
1 4 LEU 2.413 0.134 17 0 "[ . 1 . 2 .]"
1 5 ASN 1.061 0.134 17 0 "[ . 1 . 2 .]"
1 6 SER 0.395 0.156 20 0 "[ . 1 . 2 .]"
1 7 ALA 0.401 0.085 21 0 "[ . 1 . 2 .]"
1 8 GLY 0.002 0.002 22 0 "[ . 1 . 2 .]"
1 9 TYR 0.243 0.056 24 0 "[ . 1 . 2 .]"
1 10 LEU 0.246 0.085 24 0 "[ . 1 . 2 .]"
1 11 LEU 0.110 0.025 22 0 "[ . 1 . 2 .]"
1 12 GLY 0.696 0.076 15 0 "[ . 1 . 2 .]"
1 13 LYS 2.368 0.140 13 0 "[ . 1 . 2 .]"
1 14 ILE 3.899 0.140 13 0 "[ . 1 . 2 .]"
1 15 ASN 2.710 0.135 24 0 "[ . 1 . 2 .]"
1 16 LEU 3.173 0.135 24 0 "[ . 1 . 2 .]"
1 17 LYS 4.589 0.133 21 0 "[ . 1 . 2 .]"
1 18 ALA 3.591 0.118 11 0 "[ . 1 . 2 .]"
1 19 LEU 3.517 0.131 5 0 "[ . 1 . 2 .]"
1 20 ALA 2.716 0.131 5 0 "[ . 1 . 2 .]"
1 21 ALA 0.009 0.007 24 0 "[ . 1 . 2 .]"
1 22 LEU 1.004 0.043 9 0 "[ . 1 . 2 .]"
1 23 ALA 0.938 0.045 10 0 "[ . 1 . 2 .]"
1 24 LYS 1.004 0.130 11 0 "[ . 1 . 2 .]"
1 25 LYS 0.909 0.130 11 0 "[ . 1 . 2 .]"
1 26 ILE 1.558 0.105 12 0 "[ . 1 . 2 .]"
1 27 LEU 0.550 0.093 8 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 1 GLY QA 1 2 TRP H . . 3.500 2.383 2.169 2.862 . 0 0 "[ . 1 . 2 .]" 1
2 1 2 TRP HA 1 3 THR H . . 4.500 2.715 2.228 3.646 . 0 0 "[ . 1 . 2 .]" 1
3 1 3 THR H 1 3 THR MG . . 3.500 2.283 1.876 2.916 . 0 0 "[ . 1 . 2 .]" 1
4 1 3 THR HA 1 4 LEU H . . 3.500 2.773 2.256 3.625 0.125 25 0 "[ . 1 . 2 .]" 1
5 1 3 THR HA 1 5 ASN H . . 4.500 4.082 3.408 4.436 . 0 0 "[ . 1 . 2 .]" 1
6 1 3 THR HA 1 6 SER H . . 4.500 4.399 3.772 4.656 0.156 20 0 "[ . 1 . 2 .]" 1
7 1 3 THR HB 1 4 LEU H . . 3.500 3.296 2.278 3.624 0.124 17 0 "[ . 1 . 2 .]" 1
8 1 3 THR MG 1 4 LEU H . . 4.500 3.149 1.836 3.892 . 0 0 "[ . 1 . 2 .]" 1
9 1 3 THR MG 1 5 ASN H . . 6.000 3.313 1.732 4.990 . 0 0 "[ . 1 . 2 .]" 1
10 1 3 THR MG 1 6 SER H . . 4.500 3.324 2.131 3.934 . 0 0 "[ . 1 . 2 .]" 1
11 1 4 LEU H 1 4 LEU QB . . 3.500 2.245 1.963 3.137 . 0 0 "[ . 1 . 2 .]" 1
12 1 4 LEU H 1 4 LEU QD . . 4.500 2.636 1.851 3.289 . 0 0 "[ . 1 . 2 .]" 1
13 1 4 LEU H 1 4 LEU HG . . 4.500 4.288 3.911 4.581 0.081 25 0 "[ . 1 . 2 .]" 1
14 1 4 LEU H 1 5 ASN H . . 3.500 2.487 1.889 3.585 0.085 17 0 "[ . 1 . 2 .]" 1
15 1 4 LEU HA 1 5 ASN H . . 3.500 3.529 3.447 3.634 0.134 17 0 "[ . 1 . 2 .]" 1
16 1 4 LEU HA 1 6 SER H . . 4.500 3.962 3.427 4.499 . 0 0 "[ . 1 . 2 .]" 1
17 1 4 LEU HA 1 7 ALA H . . 3.500 3.443 3.076 3.585 0.085 21 0 "[ . 1 . 2 .]" 1
18 1 4 LEU HA 1 8 GLY H . . 4.500 4.151 3.615 4.502 0.002 22 0 "[ . 1 . 2 .]" 1
19 1 4 LEU QB 1 5 ASN H . . 4.500 3.029 2.552 3.245 . 0 0 "[ . 1 . 2 .]" 1
20 1 4 LEU QD 1 5 ASN H . . 6.000 3.754 1.924 4.122 . 0 0 "[ . 1 . 2 .]" 1
21 1 4 LEU QD 1 7 ALA H . . 6.000 4.179 3.218 4.457 . 0 0 "[ . 1 . 2 .]" 1
22 1 5 ASN H 1 5 ASN QB . . 3.500 2.135 2.003 2.482 . 0 0 "[ . 1 . 2 .]" 1
23 1 5 ASN H 1 6 SER H . . 4.500 2.509 2.197 2.834 . 0 0 "[ . 1 . 2 .]" 1
24 1 5 ASN HA 1 6 SER H . . 4.500 3.552 3.474 3.647 . 0 0 "[ . 1 . 2 .]" 1
25 1 5 ASN HA 1 7 ALA H . . 6.000 4.952 4.665 5.232 . 0 0 "[ . 1 . 2 .]" 1
26 1 5 ASN HA 1 8 GLY H . . 6.000 3.561 3.228 3.881 . 0 0 "[ . 1 . 2 .]" 1
27 1 5 ASN HA 1 9 TYR H . . 6.000 5.188 4.243 5.731 . 0 0 "[ . 1 . 2 .]" 1
28 1 5 ASN QB 1 6 SER H . . 3.500 2.853 2.325 3.122 . 0 0 "[ . 1 . 2 .]" 1
29 1 5 ASN QB 1 7 ALA H . . 6.000 5.062 4.812 5.356 . 0 0 "[ . 1 . 2 .]" 1
30 1 5 ASN QB 1 8 GLY H . . 6.000 4.730 4.457 5.007 . 0 0 "[ . 1 . 2 .]" 1
31 1 6 SER HA 1 7 ALA H . . 4.500 3.639 3.612 3.649 . 0 0 "[ . 1 . 2 .]" 1
32 1 6 SER HA 1 8 GLY H . . 4.500 3.703 3.537 3.854 . 0 0 "[ . 1 . 2 .]" 1
33 1 6 SER HA 1 9 TYR H . . 4.500 4.339 3.953 4.508 0.008 24 0 "[ . 1 . 2 .]" 1
34 1 6 SER QB 1 7 ALA H . . 4.500 2.452 2.161 2.689 . 0 0 "[ . 1 . 2 .]" 1
35 1 6 SER QB 1 8 GLY H . . 4.500 4.103 4.021 4.206 . 0 0 "[ . 1 . 2 .]" 1
36 1 7 ALA H 1 7 ALA MB . . 3.500 2.090 1.946 2.222 . 0 0 "[ . 1 . 2 .]" 1
37 1 7 ALA H 1 8 GLY H . . 3.500 2.603 2.528 2.739 . 0 0 "[ . 1 . 2 .]" 1
38 1 7 ALA HA 1 8 GLY H . . 4.500 3.350 3.121 3.500 . 0 0 "[ . 1 . 2 .]" 1
39 1 7 ALA HA 1 10 LEU H . . 3.500 3.162 2.440 3.510 0.010 20 0 "[ . 1 . 2 .]" 1
40 1 7 ALA MB 1 8 GLY H . . 4.500 3.297 2.992 3.585 . 0 0 "[ . 1 . 2 .]" 1
41 1 8 GLY H 1 9 TYR H . . 3.500 2.796 2.193 3.196 . 0 0 "[ . 1 . 2 .]" 1
42 1 8 GLY QA 1 9 TYR H . . 3.500 2.732 2.568 2.982 . 0 0 "[ . 1 . 2 .]" 1
43 1 8 GLY QA 1 10 LEU H . . 6.000 3.954 3.380 4.256 . 0 0 "[ . 1 . 2 .]" 1
44 1 9 TYR H 1 9 TYR QB . . 3.500 2.681 1.927 3.180 . 0 0 "[ . 1 . 2 .]" 1
45 1 9 TYR H 1 9 TYR QD . . 4.500 2.597 1.945 3.975 . 0 0 "[ . 1 . 2 .]" 1
46 1 9 TYR H 1 10 LEU H . . 3.500 2.206 1.897 2.703 . 0 0 "[ . 1 . 2 .]" 1
47 1 9 TYR HA 1 10 LEU H . . 3.500 3.168 2.925 3.548 0.048 20 0 "[ . 1 . 2 .]" 1
48 1 9 TYR HA 1 11 LEU H . . 4.500 3.653 3.126 4.403 . 0 0 "[ . 1 . 2 .]" 1
49 1 9 TYR HA 1 12 GLY H . . 4.500 4.427 3.948 4.556 0.056 24 0 "[ . 1 . 2 .]" 1
50 1 9 TYR QB 1 10 LEU H . . 4.500 3.827 2.958 4.093 . 0 0 "[ . 1 . 2 .]" 1
51 1 9 TYR QD 1 10 LEU H . . 4.500 3.938 2.002 4.319 . 0 0 "[ . 1 . 2 .]" 1
52 1 9 TYR QD 1 10 LEU HA . . 6.000 4.222 3.425 4.759 . 0 0 "[ . 1 . 2 .]" 1
53 1 9 TYR QD 1 10 LEU QD . . 4.500 2.502 1.960 3.100 . 0 0 "[ . 1 . 2 .]" 1
54 1 9 TYR QE 1 10 LEU QD . . 4.500 2.401 1.871 2.856 . 0 0 "[ . 1 . 2 .]" 1
55 1 10 LEU H 1 10 LEU QB . . 3.500 2.458 2.112 2.833 . 0 0 "[ . 1 . 2 .]" 1
56 1 10 LEU H 1 10 LEU QD . . 4.500 2.753 1.778 3.506 . 0 0 "[ . 1 . 2 .]" 1
57 1 10 LEU H 1 11 LEU H . . 3.500 2.308 1.897 3.237 . 0 0 "[ . 1 . 2 .]" 1
58 1 10 LEU HA 1 11 LEU H . . 4.500 3.188 2.740 3.615 . 0 0 "[ . 1 . 2 .]" 1
59 1 10 LEU HA 1 13 LYS H . . 3.500 3.380 3.020 3.585 0.085 24 0 "[ . 1 . 2 .]" 1
60 1 11 LEU H 1 11 LEU QB . . 3.500 2.360 2.004 2.899 . 0 0 "[ . 1 . 2 .]" 1
61 1 11 LEU H 1 11 LEU QD . . 4.500 2.674 1.760 3.531 . 0 0 "[ . 1 . 2 .]" 1
62 1 11 LEU H 1 12 GLY H . . 3.500 2.468 1.913 3.267 . 0 0 "[ . 1 . 2 .]" 1
63 1 11 LEU H 1 13 LYS H . . 4.500 3.798 2.696 4.525 0.025 22 0 "[ . 1 . 2 .]" 1
64 1 11 LEU HA 1 12 GLY H . . 4.500 3.413 2.724 3.635 . 0 0 "[ . 1 . 2 .]" 1
65 1 11 LEU QD 1 12 GLY QA . . 6.000 2.975 2.076 4.007 . 0 0 "[ . 1 . 2 .]" 1
66 1 12 GLY H 1 13 LYS H . . 3.500 2.222 1.824 2.834 . 0 0 "[ . 1 . 2 .]" 1
67 1 12 GLY H 1 14 ILE H . . 4.500 3.934 2.553 4.576 0.076 15 0 "[ . 1 . 2 .]" 1
68 1 12 GLY H 1 15 ASN QB . . 4.500 3.976 3.309 4.118 . 0 0 "[ . 1 . 2 .]" 1
69 1 12 GLY QA 1 13 LYS H . . 3.500 2.784 2.599 2.973 . 0 0 "[ . 1 . 2 .]" 1
70 1 12 GLY QA 1 13 LYS QG . . 6.000 4.168 3.127 4.668 . 0 0 "[ . 1 . 2 .]" 1
71 1 12 GLY QA 1 15 ASN H . . 4.500 3.409 2.944 3.900 . 0 0 "[ . 1 . 2 .]" 1
72 1 13 LYS H 1 13 LYS QD . . 4.500 3.696 2.745 4.092 . 0 0 "[ . 1 . 2 .]" 1
73 1 13 LYS H 1 13 LYS QG . . 4.500 2.518 1.967 3.039 . 0 0 "[ . 1 . 2 .]" 1
74 1 13 LYS H 1 14 ILE H . . 3.500 3.008 2.555 3.561 0.061 19 0 "[ . 1 . 2 .]" 1
75 1 13 LYS H 1 15 ASN H . . 4.500 4.356 3.993 4.581 0.081 19 0 "[ . 1 . 2 .]" 1
76 1 13 LYS HA 1 13 LYS QD . . 4.500 3.395 2.060 4.159 . 0 0 "[ . 1 . 2 .]" 1
77 1 13 LYS HA 1 14 ILE H . . 3.500 3.542 3.184 3.640 0.140 13 0 "[ . 1 . 2 .]" 1
78 1 13 LYS QB 1 14 ILE H . . 4.500 2.890 2.113 3.795 . 0 0 "[ . 1 . 2 .]" 1
79 1 14 ILE H 1 14 ILE HB . . 3.500 3.463 3.371 3.547 0.047 24 0 "[ . 1 . 2 .]" 1
80 1 14 ILE H 1 14 ILE MD . . 4.500 3.468 2.026 3.728 . 0 0 "[ . 1 . 2 .]" 1
81 1 14 ILE H 1 14 ILE MG . . 4.500 3.187 2.602 3.687 . 0 0 "[ . 1 . 2 .]" 1
82 1 14 ILE H 1 15 ASN H . . 4.500 2.455 1.971 3.079 . 0 0 "[ . 1 . 2 .]" 1
83 1 14 ILE HA 1 14 ILE MG . . 3.500 2.052 1.959 2.191 . 0 0 "[ . 1 . 2 .]" 1
84 1 14 ILE HA 1 18 ALA H . . 4.500 4.362 4.024 4.508 0.008 2 0 "[ . 1 . 2 .]" 1
85 1 14 ILE HB 1 15 ASN H . . 3.000 3.050 3.007 3.111 0.111 22 0 "[ . 1 . 2 .]" 1
86 1 14 ILE MD 1 15 ASN H . . 4.500 3.276 2.573 3.795 . 0 0 "[ . 1 . 2 .]" 1
87 1 14 ILE QG 1 15 ASN H . . 3.500 1.984 1.883 2.224 . 0 0 "[ . 1 . 2 .]" 1
88 1 15 ASN H 1 16 LEU H . . 4.500 2.803 2.730 3.040 . 0 0 "[ . 1 . 2 .]" 1
89 1 15 ASN HA 1 16 LEU H . . 3.500 3.551 3.508 3.635 0.135 24 0 "[ . 1 . 2 .]" 1
90 1 15 ASN HA 1 18 ALA H . . 4.500 3.242 3.014 3.577 . 0 0 "[ . 1 . 2 .]" 1
91 1 15 ASN HA 1 19 LEU H . . 4.500 4.053 3.726 4.517 0.017 24 0 "[ . 1 . 2 .]" 1
92 1 15 ASN QB 1 16 LEU H . . 3.500 2.837 2.448 2.986 . 0 0 "[ . 1 . 2 .]" 1
93 1 15 ASN QD 1 18 ALA MB . . 4.500 2.996 2.635 3.259 . 0 0 "[ . 1 . 2 .]" 1
94 1 16 LEU H 1 16 LEU QB . . 3.500 2.058 1.971 2.154 . 0 0 "[ . 1 . 2 .]" 1
95 1 16 LEU H 1 16 LEU QD . . 4.500 3.177 2.171 3.505 . 0 0 "[ . 1 . 2 .]" 1
96 1 16 LEU H 1 17 LYS H . . 3.000 2.570 2.323 2.824 . 0 0 "[ . 1 . 2 .]" 1
97 1 16 LEU HA 1 17 LYS H . . 3.500 3.573 3.519 3.633 0.133 21 0 "[ . 1 . 2 .]" 1
98 1 16 LEU HA 1 19 LEU H . . 3.500 3.298 2.994 3.506 0.006 18 0 "[ . 1 . 2 .]" 1
99 1 16 LEU HA 1 19 LEU QB . . 4.500 2.203 1.981 2.459 . 0 0 "[ . 1 . 2 .]" 1
100 1 16 LEU HA 1 20 ALA H . . 4.500 4.471 3.993 4.507 0.007 8 0 "[ . 1 . 2 .]" 1
101 1 16 LEU QB 1 17 LYS H . . 3.500 2.875 2.413 3.113 . 0 0 "[ . 1 . 2 .]" 1
102 1 16 LEU QD 1 17 LYS H . . 6.000 3.611 1.854 4.028 . 0 0 "[ . 1 . 2 .]" 1
103 1 16 LEU QD 1 19 LEU H . . 6.000 4.040 3.644 4.393 . 0 0 "[ . 1 . 2 .]" 1
104 1 17 LYS H 1 17 LYS QB . . 3.500 2.110 2.034 2.272 . 0 0 "[ . 1 . 2 .]" 1
105 1 17 LYS H 1 17 LYS QD . . 4.500 3.915 2.879 4.086 . 0 0 "[ . 1 . 2 .]" 1
106 1 17 LYS H 1 17 LYS QG . . 3.500 2.922 2.425 3.015 . 0 0 "[ . 1 . 2 .]" 1
107 1 17 LYS H 1 18 ALA H . . 3.000 2.552 2.387 2.824 . 0 0 "[ . 1 . 2 .]" 1
108 1 17 LYS HA 1 18 ALA H . . 3.500 3.608 3.599 3.618 0.118 11 0 "[ . 1 . 2 .]" 1
109 1 17 LYS HA 1 20 ALA H . . 3.500 3.470 3.295 3.509 0.009 8 0 "[ . 1 . 2 .]" 1
110 1 17 LYS HA 1 20 ALA MB . . 4.500 3.018 2.679 3.229 . 0 0 "[ . 1 . 2 .]" 1
111 1 17 LYS QB 1 18 ALA H . . 3.000 2.742 2.604 2.821 . 0 0 "[ . 1 . 2 .]" 1
112 1 18 ALA H 1 18 ALA MB . . 3.500 2.041 1.940 2.178 . 0 0 "[ . 1 . 2 .]" 1
113 1 18 ALA HA 1 19 LEU H . . 3.500 3.529 3.517 3.584 0.084 8 0 "[ . 1 . 2 .]" 1
114 1 18 ALA HA 1 21 ALA H . . 3.500 3.304 2.984 3.507 0.007 24 0 "[ . 1 . 2 .]" 1
115 1 18 ALA HA 1 21 ALA MB . . 3.500 2.622 2.271 2.793 . 0 0 "[ . 1 . 2 .]" 1
116 1 18 ALA HA 1 22 LEU H . . 4.500 4.443 3.912 4.526 0.026 12 0 "[ . 1 . 2 .]" 1
117 1 19 LEU H 1 19 LEU QB . . 3.500 2.035 1.975 2.127 . 0 0 "[ . 1 . 2 .]" 1
118 1 19 LEU H 1 19 LEU QD . . 4.500 3.280 2.621 3.521 . 0 0 "[ . 1 . 2 .]" 1
119 1 19 LEU H 1 19 LEU HG . . 4.500 4.406 3.688 4.557 0.057 8 0 "[ . 1 . 2 .]" 1
120 1 19 LEU H 1 20 ALA H . . 3.000 2.666 2.584 2.814 . 0 0 "[ . 1 . 2 .]" 1
121 1 19 LEU H 1 22 LEU QD . . 6.000 4.017 3.890 4.084 . 0 0 "[ . 1 . 2 .]" 1
122 1 19 LEU HA 1 20 ALA H . . 3.500 3.604 3.560 3.631 0.131 5 0 "[ . 1 . 2 .]" 1
123 1 19 LEU HA 1 22 LEU H . . 3.500 2.834 2.745 3.136 . 0 0 "[ . 1 . 2 .]" 1
124 1 19 LEU QD 1 22 LEU H . . 6.000 4.268 3.857 4.509 . 0 0 "[ . 1 . 2 .]" 1
125 1 19 LEU HG 1 23 ALA HA . . 6.000 5.168 4.939 6.045 0.045 10 0 "[ . 1 . 2 .]" 1
126 1 20 ALA H 1 20 ALA MB . . 3.500 2.022 1.936 2.174 . 0 0 "[ . 1 . 2 .]" 1
127 1 20 ALA H 1 21 ALA H . . 3.000 2.677 2.459 2.778 . 0 0 "[ . 1 . 2 .]" 1
128 1 20 ALA H 1 22 LEU H . . 4.500 4.087 3.994 4.215 . 0 0 "[ . 1 . 2 .]" 1
129 1 20 ALA HA 1 23 ALA H . . 3.500 3.411 3.355 3.489 . 0 0 "[ . 1 . 2 .]" 1
130 1 20 ALA HA 1 23 ALA MB . . 3.500 2.648 2.535 2.782 . 0 0 "[ . 1 . 2 .]" 1
131 1 20 ALA HA 1 24 LYS H . . 4.500 4.218 4.066 4.503 0.003 11 0 "[ . 1 . 2 .]" 1
132 1 21 ALA H 1 22 LEU H . . 3.000 2.243 2.211 2.292 . 0 0 "[ . 1 . 2 .]" 1
133 1 21 ALA HA 1 24 LYS H . . 3.500 3.233 3.177 3.272 . 0 0 "[ . 1 . 2 .]" 1
134 1 21 ALA HA 1 24 LYS QB . . 3.000 2.276 2.245 2.295 . 0 0 "[ . 1 . 2 .]" 1
135 1 21 ALA HA 1 25 LYS H . . 4.500 4.269 4.088 4.502 0.002 13 0 "[ . 1 . 2 .]" 1
136 1 21 ALA MB 1 22 LEU H . . 3.500 2.805 2.679 2.888 . 0 0 "[ . 1 . 2 .]" 1
137 1 22 LEU H 1 22 LEU QB . . 3.500 2.248 2.150 2.285 . 0 0 "[ . 1 . 2 .]" 1
138 1 22 LEU H 1 22 LEU HG . . 3.500 2.660 2.598 2.865 . 0 0 "[ . 1 . 2 .]" 1
139 1 22 LEU H 1 23 ALA H . . 3.000 2.390 2.344 2.490 . 0 0 "[ . 1 . 2 .]" 1
140 1 22 LEU H 1 24 LYS H . . 4.500 3.688 3.643 3.745 . 0 0 "[ . 1 . 2 .]" 1
141 1 22 LEU HA 1 23 ALA H . . 3.500 3.536 3.517 3.543 0.043 9 0 "[ . 1 . 2 .]" 1
142 1 22 LEU HA 1 25 LYS H . . 3.500 3.312 3.239 3.509 0.009 11 0 "[ . 1 . 2 .]" 1
143 1 22 LEU HA 1 25 LYS QB . . 4.500 3.346 3.004 3.957 . 0 0 "[ . 1 . 2 .]" 1
144 1 22 LEU QB 1 23 ALA H . . 4.500 3.609 3.565 3.630 . 0 0 "[ . 1 . 2 .]" 1
145 1 22 LEU QD 1 23 ALA H . . 6.000 2.865 2.778 3.023 . 0 0 "[ . 1 . 2 .]" 1
146 1 22 LEU QD 1 23 ALA HA . . 4.500 2.364 2.322 2.447 . 0 0 "[ . 1 . 2 .]" 1
147 1 22 LEU QD 1 23 ALA MB . . 6.000 2.669 2.543 2.817 . 0 0 "[ . 1 . 2 .]" 1
148 1 23 ALA H 1 23 ALA MB . . 3.500 2.095 2.001 2.233 . 0 0 "[ . 1 . 2 .]" 1
149 1 23 ALA H 1 24 LYS H . . 3.500 2.306 2.254 2.371 . 0 0 "[ . 1 . 2 .]" 1
150 1 23 ALA HA 1 26 ILE H . . 4.500 3.467 3.271 3.786 . 0 0 "[ . 1 . 2 .]" 1
151 1 23 ALA HA 1 27 LEU H . . 4.500 3.926 3.088 4.454 . 0 0 "[ . 1 . 2 .]" 1
152 1 24 LYS H 1 24 LYS QB . . 3.500 2.155 2.124 2.197 . 0 0 "[ . 1 . 2 .]" 1
153 1 24 LYS H 1 24 LYS QD . . 4.500 4.055 3.814 4.111 . 0 0 "[ . 1 . 2 .]" 1
154 1 24 LYS H 1 24 LYS QG . . 3.500 2.994 2.951 3.009 . 0 0 "[ . 1 . 2 .]" 1
155 1 24 LYS H 1 25 LYS H . . 3.000 2.288 2.208 2.480 . 0 0 "[ . 1 . 2 .]" 1
156 1 24 LYS HA 1 25 LYS H . . 3.500 3.535 3.490 3.630 0.130 11 0 "[ . 1 . 2 .]" 1
157 1 24 LYS HA 1 27 LEU H . . 3.500 3.492 3.436 3.523 0.023 22 0 "[ . 1 . 2 .]" 1
158 1 24 LYS HA 1 27 LEU QB . . 3.500 2.745 2.288 3.241 . 0 0 "[ . 1 . 2 .]" 1
159 1 24 LYS QB 1 25 LYS H . . 3.500 3.053 2.866 3.162 . 0 0 "[ . 1 . 2 .]" 1
160 1 25 LYS H 1 25 LYS QD . . 4.500 3.837 3.365 4.049 . 0 0 "[ . 1 . 2 .]" 1
161 1 25 LYS H 1 25 LYS QG . . 4.500 2.329 1.921 2.678 . 0 0 "[ . 1 . 2 .]" 1
162 1 25 LYS H 1 26 ILE H . . 3.000 2.484 2.290 2.896 . 0 0 "[ . 1 . 2 .]" 1
163 1 25 LYS H 1 26 ILE MD . . 6.000 4.944 4.659 5.035 . 0 0 "[ . 1 . 2 .]" 1
164 1 25 LYS H 1 26 ILE QG . . 4.500 3.530 3.416 3.710 . 0 0 "[ . 1 . 2 .]" 1
165 1 25 LYS H 1 27 LEU H . . 4.500 3.554 3.439 3.794 . 0 0 "[ . 1 . 2 .]" 1
166 1 25 LYS HA 1 26 ILE H . . 4.500 3.621 3.591 3.637 . 0 0 "[ . 1 . 2 .]" 1
167 1 25 LYS QB 1 26 ILE H . . 4.500 3.373 3.255 3.528 . 0 0 "[ . 1 . 2 .]" 1
168 1 25 LYS QG 1 26 ILE H . . 4.500 1.910 1.770 2.153 . 0 0 "[ . 1 . 2 .]" 1
169 1 25 LYS QG 1 27 LEU H . . 4.500 4.008 3.930 4.083 . 0 0 "[ . 1 . 2 .]" 1
170 1 26 ILE H 1 26 ILE HB . . 3.500 3.545 3.531 3.605 0.105 12 0 "[ . 1 . 2 .]" 1
171 1 26 ILE H 1 26 ILE MD . . 4.500 3.524 3.214 3.625 . 0 0 "[ . 1 . 2 .]" 1
172 1 26 ILE H 1 26 ILE QG . . 4.500 1.943 1.903 2.033 . 0 0 "[ . 1 . 2 .]" 1
173 1 26 ILE H 1 27 LEU H . . 3.500 2.565 2.238 2.764 . 0 0 "[ . 1 . 2 .]" 1
174 1 26 ILE HA 1 27 LEU H . . 3.500 3.515 3.468 3.593 0.093 8 0 "[ . 1 . 2 .]" 1
175 1 26 ILE HB 1 27 LEU H . . 4.500 4.070 3.849 4.177 . 0 0 "[ . 1 . 2 .]" 1
176 1 26 ILE MD 1 27 LEU H . . 4.500 2.834 2.305 3.834 . 0 0 "[ . 1 . 2 .]" 1
177 1 27 LEU H 1 27 LEU QB . . 3.500 2.304 1.987 2.718 . 0 0 "[ . 1 . 2 .]" 1
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