NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
550713 |
2lq0   |
18284 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lq0
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 176
_Distance_constraint_stats_list.Viol_count 2023
_Distance_constraint_stats_list.Viol_total 6242.857
_Distance_constraint_stats_list.Viol_max 0.432
_Distance_constraint_stats_list.Viol_rms 0.1031
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0887
_Distance_constraint_stats_list.Viol_average_violations_only 0.1543
_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 GLN 0.032 0.006 7 0 "[ . 1 . 2]"
1 2 ARG 12.053 0.316 17 0 "[ . 1 . 2]"
1 3 SER 15.848 0.239 17 0 "[ . 1 . 2]"
1 4 ASN 14.240 0.241 6 0 "[ . 1 . 2]"
1 5 PHE 15.879 0.241 6 0 "[ . 1 . 2]"
1 6 HIS 12.316 0.226 11 0 "[ . 1 . 2]"
1 7 PRO 4.163 0.169 5 0 "[ . 1 . 2]"
1 8 LEU 16.915 0.169 5 0 "[ . 1 . 2]"
1 9 ALA 20.701 0.251 14 0 "[ . 1 . 2]"
1 10 ALA 23.023 0.248 1 0 "[ . 1 . 2]"
1 11 SER 27.007 0.305 18 0 "[ . 1 . 2]"
1 12 PHE 24.288 0.316 18 0 "[ . 1 . 2]"
1 13 ILE 45.905 0.269 19 0 "[ . 1 . 2]"
1 14 VAL 47.638 0.432 18 0 "[ . 1 . 2]"
1 15 ARG 28.750 0.398 17 0 "[ . 1 . 2]"
1 16 CYS 49.415 0.326 19 0 "[ . 1 . 2]"
1 17 ALA 26.946 0.398 17 0 "[ . 1 . 2]"
1 18 PHE 39.798 0.432 18 0 "[ . 1 . 2]"
1 19 GLU 31.031 0.294 9 0 "[ . 1 . 2]"
1 20 HIS 38.520 0.328 17 0 "[ . 1 . 2]"
1 21 SER 26.067 0.297 17 0 "[ . 1 . 2]"
1 22 ARG 34.520 0.328 17 0 "[ . 1 . 2]"
1 23 ARG 23.059 0.285 6 0 "[ . 1 . 2]"
1 24 PHE 18.848 0.297 17 0 "[ . 1 . 2]"
1 25 THR 10.263 0.229 20 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 GLN HA 1 2 ARG H . . 3.300 2.484 2.140 3.184 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLN QB 1 2 ARG H . . 3.500 3.275 2.755 3.506 0.006 7 0 "[ . 1 . 2]" 1
3 1 2 ARG H 1 2 ARG QB . . 2.500 2.597 2.205 2.619 0.119 9 0 "[ . 1 . 2]" 1
4 1 2 ARG H 1 2 ARG QD . . 3.900 3.190 3.099 3.951 0.051 17 0 "[ . 1 . 2]" 1
5 1 2 ARG H 1 2 ARG QG . . 3.700 2.043 1.938 4.016 0.316 17 0 "[ . 1 . 2]" 1
6 1 2 ARG H 1 3 SER H . . 4.000 2.496 2.488 2.619 . 0 0 "[ . 1 . 2]" 1
7 1 2 ARG HA 1 3 SER H . . 3.300 3.537 3.537 3.539 0.239 17 0 "[ . 1 . 2]" 1
8 1 2 ARG QB 1 3 SER H . . 2.500 2.548 2.543 2.624 0.124 17 0 "[ . 1 . 2]" 1
9 1 2 ARG QD 1 3 SER H . . 3.900 3.903 2.929 3.956 0.056 16 0 "[ . 1 . 2]" 1
10 1 2 ARG QG 1 3 SER H . . 3.700 3.834 3.728 3.848 0.148 9 0 "[ . 1 . 2]" 1
11 1 3 SER H 1 3 SER QB . . 2.500 2.357 2.231 2.511 0.011 12 0 "[ . 1 . 2]" 1
12 1 3 SER H 1 4 ASN H . . 2.800 2.716 2.714 2.717 . 0 0 "[ . 1 . 2]" 1
13 1 3 SER HA 1 4 ASN H . . 3.300 3.530 3.530 3.532 0.232 17 0 "[ . 1 . 2]" 1
14 1 3 SER HA 1 5 PHE H . . 4.200 4.084 4.082 4.105 . 0 0 "[ . 1 . 2]" 1
15 1 3 SER QB 1 4 ASN H . . 2.500 2.587 2.580 2.590 0.090 15 0 "[ . 1 . 2]" 1
16 1 4 ASN H 1 4 ASN QB . . 2.500 2.416 2.416 2.417 . 0 0 "[ . 1 . 2]" 1
17 1 4 ASN H 1 5 PHE H . . 2.800 2.378 2.368 2.379 . 0 0 "[ . 1 . 2]" 1
18 1 4 ASN HA 1 5 PHE H . . 3.300 3.417 3.416 3.418 0.118 17 0 "[ . 1 . 2]" 1
19 1 4 ASN HA 1 6 HIS H . . 4.200 4.129 4.127 4.133 . 0 0 "[ . 1 . 2]" 1
20 1 4 ASN QB 1 5 PHE H . . 2.800 3.040 3.037 3.041 0.241 6 0 "[ . 1 . 2]" 1
21 1 4 ASN QB 1 8 LEU H . . 4.500 4.538 4.537 4.542 0.042 17 0 "[ . 1 . 2]" 1
22 1 5 PHE H 1 5 PHE QB . . 2.500 2.252 2.248 2.253 . 0 0 "[ . 1 . 2]" 1
23 1 5 PHE H 1 6 HIS H . . 2.800 2.621 2.619 2.622 . 0 0 "[ . 1 . 2]" 1
24 1 5 PHE HA 1 6 HIS H . . 3.300 3.525 3.525 3.526 0.226 11 0 "[ . 1 . 2]" 1
25 1 5 PHE HA 1 8 LEU H . . 3.300 3.404 3.403 3.405 0.105 10 0 "[ . 1 . 2]" 1
26 1 5 PHE HA 1 9 ALA H . . 4.000 3.992 3.982 4.001 0.001 17 0 "[ . 1 . 2]" 1
27 1 5 PHE QB 1 6 HIS H . . 2.500 2.607 2.605 2.608 0.108 2 0 "[ . 1 . 2]" 1
28 1 6 HIS H 1 6 HIS QB . . 2.500 2.152 2.151 2.153 . 0 0 "[ . 1 . 2]" 1
29 1 6 HIS HA 1 8 LEU H . . 4.200 4.250 4.248 4.253 0.053 17 0 "[ . 1 . 2]" 1
30 1 6 HIS HA 1 9 ALA H . . 3.600 3.697 3.696 3.698 0.098 9 0 "[ . 1 . 2]" 1
31 1 6 HIS QB 1 8 LEU H . . 4.600 4.305 4.304 4.307 . 0 0 "[ . 1 . 2]" 1
32 1 6 HIS QB 1 9 ALA H . . 4.700 4.836 4.832 4.840 0.140 19 0 "[ . 1 . 2]" 1
33 1 7 PRO QB 1 8 LEU H . . 3.300 3.341 3.338 3.342 0.042 8 0 "[ . 1 . 2]" 1
34 1 7 PRO QD 1 8 LEU H . . 3.600 2.625 2.624 2.626 . 0 0 "[ . 1 . 2]" 1
35 1 7 PRO QD 1 8 LEU HA . . 5.000 5.168 5.167 5.169 0.169 5 0 "[ . 1 . 2]" 1
36 1 8 LEU H 1 8 LEU QB . . 2.500 2.246 2.227 2.265 . 0 0 "[ . 1 . 2]" 1
37 1 8 LEU H 1 8 LEU QD . . 3.600 3.595 3.581 3.609 0.009 6 0 "[ . 1 . 2]" 1
38 1 8 LEU H 1 9 ALA H . . 2.800 2.363 2.362 2.364 . 0 0 "[ . 1 . 2]" 1
39 1 8 LEU HA 1 9 ALA H . . 3.300 3.452 3.448 3.455 0.155 19 0 "[ . 1 . 2]" 1
40 1 8 LEU HA 1 10 ALA H . . 4.100 4.171 4.165 4.179 0.079 19 0 "[ . 1 . 2]" 1
41 1 8 LEU HA 1 11 SER H . . 3.300 3.321 3.313 3.330 0.030 19 0 "[ . 1 . 2]" 1
42 1 8 LEU HA 1 12 PHE H . . 4.000 4.154 4.149 4.159 0.159 14 0 "[ . 1 . 2]" 1
43 1 8 LEU QB 1 9 ALA H . . 2.900 2.936 2.910 2.962 0.062 2 0 "[ . 1 . 2]" 1
44 1 8 LEU QD 1 9 ALA H . . 3.600 3.295 3.275 3.310 . 0 0 "[ . 1 . 2]" 1
45 1 8 LEU QD 1 11 SER H . . 4.500 4.032 3.546 4.516 0.016 16 0 "[ . 1 . 2]" 1
46 1 8 LEU QD 1 12 PHE H . . 4.000 3.012 2.695 3.333 . 0 0 "[ . 1 . 2]" 1
47 1 8 LEU QD 1 13 ILE H . . 4.900 4.678 4.469 4.889 . 0 0 "[ . 1 . 2]" 1
48 1 9 ALA H 1 9 ALA MB . . 2.500 2.225 2.223 2.226 . 0 0 "[ . 1 . 2]" 1
49 1 9 ALA H 1 10 ALA H . . 2.800 2.723 2.714 2.730 . 0 0 "[ . 1 . 2]" 1
50 1 9 ALA HA 1 10 ALA H . . 3.300 3.539 3.538 3.541 0.241 9 0 "[ . 1 . 2]" 1
51 1 9 ALA HA 1 13 ILE H . . 4.000 4.034 4.033 4.036 0.036 15 0 "[ . 1 . 2]" 1
52 1 9 ALA MB 1 10 ALA H . . 2.500 2.557 2.555 2.560 0.060 14 0 "[ . 1 . 2]" 1
53 1 9 ALA MB 1 12 PHE H . . 4.700 4.733 4.728 4.738 0.038 18 0 "[ . 1 . 2]" 1
54 1 9 ALA MB 1 13 ILE H . . 4.300 4.550 4.549 4.551 0.251 14 0 "[ . 1 . 2]" 1
55 1 10 ALA H 1 10 ALA MB . . 2.500 2.212 2.211 2.214 . 0 0 "[ . 1 . 2]" 1
56 1 10 ALA H 1 11 SER H . . 2.800 2.699 2.696 2.702 . 0 0 "[ . 1 . 2]" 1
57 1 10 ALA HA 1 11 SER H . . 3.300 3.547 3.546 3.548 0.248 1 0 "[ . 1 . 2]" 1
58 1 10 ALA HA 1 13 ILE H . . 3.300 3.445 3.440 3.449 0.149 5 0 "[ . 1 . 2]" 1
59 1 10 ALA HA 1 14 VAL H . . 4.000 3.921 3.905 3.927 . 0 0 "[ . 1 . 2]" 1
60 1 10 ALA MB 1 11 SER H . . 2.500 2.523 2.522 2.524 0.024 16 0 "[ . 1 . 2]" 1
61 1 10 ALA MB 1 12 PHE H . . 5.000 4.589 4.586 4.594 . 0 0 "[ . 1 . 2]" 1
62 1 10 ALA MB 1 13 ILE H . . 4.300 4.489 4.486 4.491 0.191 5 0 "[ . 1 . 2]" 1
63 1 10 ALA MB 1 14 VAL H . . 4.300 4.480 4.469 4.485 0.185 17 0 "[ . 1 . 2]" 1
64 1 11 SER H 1 11 SER QB . . 2.500 2.410 2.408 2.412 . 0 0 "[ . 1 . 2]" 1
65 1 11 SER H 1 12 PHE H . . 2.800 2.700 2.695 2.705 . 0 0 "[ . 1 . 2]" 1
66 1 11 SER HA 1 12 PHE H . . 3.300 3.548 3.547 3.549 0.249 11 0 "[ . 1 . 2]" 1
67 1 11 SER HA 1 13 ILE H . . 4.000 4.184 4.179 4.189 0.189 11 0 "[ . 1 . 2]" 1
68 1 11 SER HA 1 14 VAL H . . 3.300 3.597 3.592 3.605 0.305 18 0 "[ . 1 . 2]" 1
69 1 11 SER QB 1 12 PHE H . . 2.500 2.484 2.479 2.488 . 0 0 "[ . 1 . 2]" 1
70 1 11 SER QB 1 13 ILE H . . 4.300 4.448 4.445 4.450 0.150 17 0 "[ . 1 . 2]" 1
71 1 11 SER QB 1 14 VAL H . . 4.800 4.975 4.973 4.978 0.178 18 0 "[ . 1 . 2]" 1
72 1 12 PHE H 1 12 PHE QB . . 2.500 2.200 2.174 2.226 . 0 0 "[ . 1 . 2]" 1
73 1 12 PHE H 1 13 ILE H . . 2.800 2.505 2.504 2.507 . 0 0 "[ . 1 . 2]" 1
74 1 12 PHE HA 1 13 ILE H . . 3.300 3.468 3.467 3.469 0.169 13 0 "[ . 1 . 2]" 1
75 1 12 PHE HA 1 14 VAL H . . 4.300 4.472 4.469 4.475 0.175 4 0 "[ . 1 . 2]" 1
76 1 12 PHE HA 1 15 ARG H . . 3.500 3.512 3.506 3.517 0.017 19 0 "[ . 1 . 2]" 1
77 1 12 PHE QB 1 13 ILE H . . 2.800 2.919 2.911 2.930 0.130 19 0 "[ . 1 . 2]" 1
78 1 12 PHE QB 1 15 ARG H . . 5.000 4.844 4.840 4.855 . 0 0 "[ . 1 . 2]" 1
79 1 12 PHE QB 1 16 CYS H . . 4.600 4.909 4.906 4.916 0.316 18 0 "[ . 1 . 2]" 1
80 1 13 ILE H 1 13 ILE HB . . 2.500 2.266 2.264 2.267 . 0 0 "[ . 1 . 2]" 1
81 1 13 ILE H 1 13 ILE MD . . 4.500 3.857 3.855 3.859 . 0 0 "[ . 1 . 2]" 1
82 1 13 ILE H 1 13 ILE QG . . 4.200 2.753 2.752 2.755 . 0 0 "[ . 1 . 2]" 1
83 1 13 ILE H 1 13 ILE MG . . 4.100 3.648 3.648 3.649 . 0 0 "[ . 1 . 2]" 1
84 1 13 ILE H 1 14 VAL H . . 2.800 2.498 2.492 2.503 . 0 0 "[ . 1 . 2]" 1
85 1 13 ILE H 1 14 VAL QG . . 5.000 4.009 3.991 4.022 . 0 0 "[ . 1 . 2]" 1
86 1 13 ILE H 1 15 ARG H . . 4.000 3.762 3.759 3.766 . 0 0 "[ . 1 . 2]" 1
87 1 13 ILE HA 1 14 VAL H . . 3.300 3.535 3.535 3.536 0.236 6 0 "[ . 1 . 2]" 1
88 1 13 ILE HA 1 15 ARG H . . 4.100 3.973 3.969 3.979 . 0 0 "[ . 1 . 2]" 1
89 1 13 ILE HA 1 16 CYS H . . 3.300 3.477 3.467 3.480 0.180 18 0 "[ . 1 . 2]" 1
90 1 13 ILE HA 1 17 ALA H . . 4.000 3.688 3.666 3.695 . 0 0 "[ . 1 . 2]" 1
91 1 13 ILE HB 1 14 VAL H . . 2.500 2.766 2.764 2.769 0.269 19 0 "[ . 1 . 2]" 1
92 1 13 ILE MD 1 14 VAL H . . 4.500 4.654 4.652 4.656 0.156 19 0 "[ . 1 . 2]" 1
93 1 13 ILE MD 1 15 ARG H . . 5.300 5.376 5.373 5.382 0.082 19 0 "[ . 1 . 2]" 1
94 1 13 ILE MD 1 16 CYS H . . 4.700 4.733 4.729 4.736 0.036 17 0 "[ . 1 . 2]" 1
95 1 13 ILE MD 1 17 ALA H . . 4.400 4.337 4.318 4.342 . 0 0 "[ . 1 . 2]" 1
96 1 13 ILE QG 1 14 VAL H . . 4.300 4.302 4.301 4.304 0.004 15 0 "[ . 1 . 2]" 1
97 1 13 ILE QG 1 15 ARG H . . 5.500 5.615 5.613 5.620 0.120 19 0 "[ . 1 . 2]" 1
98 1 13 ILE MG 1 14 VAL H . . 4.100 2.988 2.982 2.994 . 0 0 "[ . 1 . 2]" 1
99 1 14 VAL H 1 14 VAL HB . . 2.500 2.515 2.510 2.518 0.018 18 0 "[ . 1 . 2]" 1
100 1 14 VAL H 1 14 VAL QG . . 3.500 2.286 2.248 2.322 . 0 0 "[ . 1 . 2]" 1
101 1 14 VAL H 1 15 ARG H . . 2.800 2.516 2.515 2.518 . 0 0 "[ . 1 . 2]" 1
102 1 14 VAL HA 1 15 ARG H . . 3.300 3.436 3.435 3.439 0.139 19 0 "[ . 1 . 2]" 1
103 1 14 VAL HA 1 16 CYS H . . 4.200 4.443 4.441 4.449 0.249 19 0 "[ . 1 . 2]" 1
104 1 14 VAL HA 1 17 ALA H . . 3.800 3.573 3.562 3.586 . 0 0 "[ . 1 . 2]" 1
105 1 14 VAL HA 1 18 PHE H . . 3.400 3.817 3.813 3.832 0.432 18 0 "[ . 1 . 2]" 1
106 1 14 VAL HB 1 15 ARG H . . 3.000 3.088 3.081 3.091 0.091 18 0 "[ . 1 . 2]" 1
107 1 14 VAL QG 1 15 ARG H . . 3.800 3.472 3.458 3.482 . 0 0 "[ . 1 . 2]" 1
108 1 15 ARG H 1 15 ARG QB . . 2.500 2.142 2.140 2.143 . 0 0 "[ . 1 . 2]" 1
109 1 15 ARG H 1 15 ARG QG . . 3.000 3.097 3.096 3.108 0.108 19 0 "[ . 1 . 2]" 1
110 1 15 ARG H 1 16 CYS H . . 2.800 2.413 2.408 2.416 . 0 0 "[ . 1 . 2]" 1
111 1 15 ARG HA 1 16 CYS H . . 3.300 3.528 3.527 3.528 0.228 6 0 "[ . 1 . 2]" 1
112 1 15 ARG HA 1 17 ALA H . . 4.200 4.595 4.588 4.598 0.398 17 0 "[ . 1 . 2]" 1
113 1 15 ARG HA 1 18 PHE H . . 3.900 3.989 3.979 4.006 0.106 18 0 "[ . 1 . 2]" 1
114 1 15 ARG QB 1 16 CYS H . . 3.000 3.202 3.196 3.204 0.204 20 0 "[ . 1 . 2]" 1
115 1 15 ARG QG 1 16 CYS H . . 3.000 2.231 2.224 2.295 . 0 0 "[ . 1 . 2]" 1
116 1 16 CYS H 1 16 CYS QB . . 2.500 2.435 2.430 2.455 . 0 0 "[ . 1 . 2]" 1
117 1 16 CYS H 1 17 ALA H . . 2.800 2.333 2.326 2.337 . 0 0 "[ . 1 . 2]" 1
118 1 16 CYS HA 1 17 ALA H . . 3.300 3.509 3.508 3.510 0.210 8 0 "[ . 1 . 2]" 1
119 1 16 CYS HA 1 18 PHE H . . 4.000 4.241 4.233 4.245 0.245 20 0 "[ . 1 . 2]" 1
120 1 16 CYS HA 1 19 GLU H . . 3.300 3.321 3.318 3.335 0.035 18 0 "[ . 1 . 2]" 1
121 1 16 CYS HA 1 20 HIS H . . 4.000 3.799 3.780 3.875 . 0 0 "[ . 1 . 2]" 1
122 1 16 CYS QB 1 17 ALA H . . 2.500 2.698 2.692 2.709 0.209 18 0 "[ . 1 . 2]" 1
123 1 16 CYS QB 1 19 GLU H . . 4.500 4.787 4.781 4.794 0.294 9 0 "[ . 1 . 2]" 1
124 1 16 CYS QB 1 20 HIS H . . 4.100 4.422 4.417 4.426 0.326 19 0 "[ . 1 . 2]" 1
125 1 17 ALA H 1 17 ALA MB . . 2.500 2.233 2.232 2.233 . 0 0 "[ . 1 . 2]" 1
126 1 17 ALA H 1 18 PHE H . . 2.800 2.668 2.664 2.675 . 0 0 "[ . 1 . 2]" 1
127 1 17 ALA HA 1 18 PHE H . . 3.300 3.527 3.526 3.528 0.228 20 0 "[ . 1 . 2]" 1
128 1 17 ALA MB 1 18 PHE H . . 2.500 2.599 2.594 2.601 0.101 11 0 "[ . 1 . 2]" 1
129 1 17 ALA MB 1 19 GLU H . . 4.500 4.538 4.535 4.547 0.047 18 0 "[ . 1 . 2]" 1
130 1 17 ALA MB 1 20 HIS H . . 4.400 4.581 4.531 4.597 0.197 6 0 "[ . 1 . 2]" 1
131 1 18 PHE H 1 18 PHE QB . . 2.500 2.229 2.205 2.233 . 0 0 "[ . 1 . 2]" 1
132 1 18 PHE H 1 19 GLU H . . 2.800 2.512 2.506 2.562 . 0 0 "[ . 1 . 2]" 1
133 1 18 PHE H 1 20 HIS H . . 4.000 3.792 3.790 3.804 . 0 0 "[ . 1 . 2]" 1
134 1 18 PHE HA 1 19 GLU H . . 3.300 3.525 3.523 3.528 0.228 6 0 "[ . 1 . 2]" 1
135 1 18 PHE HA 1 20 HIS H . . 4.100 4.236 4.224 4.258 0.158 18 0 "[ . 1 . 2]" 1
136 1 18 PHE HA 1 22 ARG H . . 4.000 4.180 4.169 4.189 0.189 14 0 "[ . 1 . 2]" 1
137 1 18 PHE QB 1 19 GLU H . . 2.500 2.628 2.607 2.692 0.192 20 0 "[ . 1 . 2]" 1
138 1 18 PHE QB 1 20 HIS H . . 4.300 4.548 4.531 4.553 0.253 5 0 "[ . 1 . 2]" 1
139 1 19 GLU H 1 19 GLU QB . . 2.500 2.217 2.182 2.585 0.085 18 0 "[ . 1 . 2]" 1
140 1 19 GLU H 1 19 GLU QG . . 3.700 3.772 2.001 3.872 0.172 6 0 "[ . 1 . 2]" 1
141 1 19 GLU H 1 20 HIS H . . 2.800 2.410 2.391 2.430 . 0 0 "[ . 1 . 2]" 1
142 1 19 GLU HA 1 20 HIS H . . 3.300 3.469 3.467 3.472 0.172 6 0 "[ . 1 . 2]" 1
143 1 19 GLU HA 1 21 SER H . . 4.000 4.225 4.211 4.230 0.230 20 0 "[ . 1 . 2]" 1
144 1 19 GLU HA 1 22 ARG H . . 3.300 3.322 3.298 3.343 0.043 9 0 "[ . 1 . 2]" 1
145 1 19 GLU HA 1 23 ARG H . . 4.000 4.119 4.098 4.172 0.172 14 0 "[ . 1 . 2]" 1
146 1 19 GLU QB 1 20 HIS H . . 2.800 2.946 2.885 2.958 0.158 6 0 "[ . 1 . 2]" 1
147 1 19 GLU QG 1 20 HIS H . . 3.700 3.598 3.492 3.888 0.188 18 0 "[ . 1 . 2]" 1
148 1 20 HIS H 1 20 HIS QB . . 2.500 2.266 2.265 2.268 . 0 0 "[ . 1 . 2]" 1
149 1 20 HIS H 1 21 SER H . . 2.800 2.538 2.524 2.548 . 0 0 "[ . 1 . 2]" 1
150 1 20 HIS HA 1 21 SER H . . 3.300 3.514 3.510 3.516 0.216 10 0 "[ . 1 . 2]" 1
151 1 20 HIS HA 1 22 ARG H . . 4.200 4.519 4.496 4.528 0.328 17 0 "[ . 1 . 2]" 1
152 1 20 HIS QB 1 21 SER H . . 2.500 2.681 2.674 2.700 0.200 9 0 "[ . 1 . 2]" 1
153 1 21 SER H 1 21 SER QB . . 2.500 2.504 2.501 2.506 0.006 6 0 "[ . 1 . 2]" 1
154 1 21 SER H 1 22 ARG H . . 2.800 2.357 2.342 2.375 . 0 0 "[ . 1 . 2]" 1
155 1 21 SER HA 1 22 ARG H . . 3.300 3.508 3.502 3.514 0.214 8 0 "[ . 1 . 2]" 1
156 1 21 SER QB 1 22 ARG H . . 2.500 2.706 2.681 2.736 0.236 14 0 "[ . 1 . 2]" 1
157 1 21 SER QB 1 24 PHE H . . 4.300 4.564 4.529 4.597 0.297 17 0 "[ . 1 . 2]" 1
158 1 22 ARG H 1 22 ARG QB . . 2.500 2.178 2.127 2.343 . 0 0 "[ . 1 . 2]" 1
159 1 22 ARG H 1 22 ARG QG . . 3.600 3.564 2.524 3.827 0.227 18 0 "[ . 1 . 2]" 1
160 1 22 ARG H 1 23 ARG H . . 2.800 2.761 2.744 2.784 . 0 0 "[ . 1 . 2]" 1
161 1 22 ARG HA 1 23 ARG H . . 3.300 3.539 3.537 3.541 0.241 5 0 "[ . 1 . 2]" 1
162 1 22 ARG HA 1 24 PHE H . . 4.200 3.930 3.873 3.955 . 0 0 "[ . 1 . 2]" 1
163 1 22 ARG HA 1 25 THR H . . 3.000 3.190 3.180 3.195 0.195 5 0 "[ . 1 . 2]" 1
164 1 22 ARG QB 1 23 ARG H . . 2.500 2.557 2.541 2.583 0.083 6 0 "[ . 1 . 2]" 1
165 1 22 ARG QG 1 23 ARG H . . 4.000 4.125 4.110 4.171 0.171 17 0 "[ . 1 . 2]" 1
166 1 23 ARG H 1 23 ARG QB . . 2.500 2.218 2.163 2.677 0.177 5 0 "[ . 1 . 2]" 1
167 1 23 ARG H 1 23 ARG QG . . 3.600 3.674 2.008 3.885 0.285 6 0 "[ . 1 . 2]" 1
168 1 23 ARG H 1 24 PHE H . . 2.800 2.681 2.672 2.686 . 0 0 "[ . 1 . 2]" 1
169 1 23 ARG HA 1 24 PHE H . . 3.300 3.476 3.463 3.481 0.181 14 0 "[ . 1 . 2]" 1
170 1 23 ARG QB 1 24 PHE H . . 2.800 2.962 2.843 3.001 0.201 9 0 "[ . 1 . 2]" 1
171 1 23 ARG QG 1 24 PHE H . . 3.600 3.465 3.382 3.843 0.243 5 0 "[ . 1 . 2]" 1
172 1 24 PHE H 1 24 PHE QB . . 2.500 2.306 2.295 2.484 . 0 0 "[ . 1 . 2]" 1
173 1 24 PHE H 1 25 THR H . . 2.800 2.402 2.399 2.404 . 0 0 "[ . 1 . 2]" 1
174 1 24 PHE HA 1 25 THR H . . 3.300 3.527 3.524 3.529 0.229 20 0 "[ . 1 . 2]" 1
175 1 24 PHE QB 1 25 THR H . . 2.500 2.588 2.584 2.612 0.112 9 0 "[ . 1 . 2]" 1
176 1 25 THR H 1 25 THR MG . . 3.500 2.405 2.256 3.643 0.143 16 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Wednesday, May 29, 2024 1:46:56 AM GMT (wattos1)