NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
401399 |
1vm5   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1vm5
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 151
_Distance_constraint_stats_list.Viol_count 67
_Distance_constraint_stats_list.Viol_total 25.925
_Distance_constraint_stats_list.Viol_max 0.225
_Distance_constraint_stats_list.Viol_rms 0.0295
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0069
_Distance_constraint_stats_list.Viol_average_violations_only 0.0774
_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 0.006 0.004 2 0 "[ .]"
1 2 LEU 0.737 0.110 1 0 "[ .]"
1 3 PHE 0.312 0.077 4 0 "[ .]"
1 4 ASP 0.323 0.069 3 0 "[ .]"
1 5 ILE 1.248 0.110 1 0 "[ .]"
1 6 ILE 0.938 0.143 1 0 "[ .]"
1 7 LYS 0.915 0.187 4 0 "[ .]"
1 8 LYS 1.132 0.225 3 0 "[ .]"
1 9 ILE 1.696 0.187 4 0 "[ .]"
1 10 ALA 1.150 0.225 3 0 "[ .]"
1 11 GLU 0.109 0.063 3 0 "[ .]"
1 12 SER 0.073 0.022 3 0 "[ .]"
1 13 PHE 0.073 0.022 3 0 "[ .]"
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 HA2 1 2 LEU H 3.000 . 3.500 2.992 2.317 3.504 0.004 2 0 "[ .]" 1
2 1 2 LEU H 1 2 LEU QB 2.500 . 2.900 2.407 2.202 2.711 . 0 0 "[ .]" 1
3 1 2 LEU H 1 2 LEU QD 3.000 . 5.000 3.610 3.420 3.750 . 0 0 "[ .]" 1
4 1 2 LEU H 1 3 PHE H 2.500 . 2.900 2.351 1.839 2.690 . 0 0 "[ .]" 1
5 1 2 LEU HA 1 2 LEU QD 2.500 . 3.200 1.990 1.936 2.091 . 0 0 "[ .]" 1
6 1 2 LEU HA 1 3 PHE H 3.000 . 3.500 3.553 3.515 3.577 0.077 4 0 "[ .]" 1
7 1 2 LEU HA 1 5 ILE H 3.000 . 3.500 3.483 3.423 3.529 0.029 3 0 "[ .]" 1
8 1 2 LEU HA 1 5 ILE HB 3.000 . 3.300 3.384 3.353 3.410 0.110 1 0 "[ .]" 1
9 1 2 LEU HA 1 5 ILE HG13 4.000 . 5.000 3.770 3.570 3.953 . 0 0 "[ .]" 1
10 1 2 LEU HA 1 6 ILE H 4.000 . 5.000 4.791 4.694 4.929 . 0 0 "[ .]" 1
11 1 2 LEU QB 1 3 PHE H 2.500 . 3.400 2.398 2.037 2.776 . 0 0 "[ .]" 1
12 1 2 LEU QD 1 3 PHE H 4.000 . 5.500 3.597 3.123 4.208 . 0 0 "[ .]" 1
13 1 3 PHE H 1 3 PHE QB 2.500 . 2.900 2.169 2.125 2.206 . 0 0 "[ .]" 1
14 1 3 PHE H 1 3 PHE QD 4.000 . 5.500 3.926 3.796 4.015 . 0 0 "[ .]" 1
15 1 3 PHE H 1 4 ASP H 2.500 . 2.900 2.681 2.590 2.800 . 0 0 "[ .]" 1
16 1 3 PHE HA 1 3 PHE QD 3.000 . 3.800 2.720 2.454 2.946 . 0 0 "[ .]" 1
17 1 3 PHE HA 1 4 ASP H 3.000 . 3.500 3.472 3.421 3.525 0.025 3 0 "[ .]" 1
18 1 3 PHE HA 1 6 ILE H 3.000 . 3.500 3.085 2.974 3.126 . 0 0 "[ .]" 1
19 1 3 PHE HA 1 6 ILE HB 3.000 . 3.300 2.157 2.059 2.211 . 0 0 "[ .]" 1
20 1 3 PHE HA 1 6 ILE MD 3.000 . 3.800 2.141 2.124 2.163 . 0 0 "[ .]" 1
21 1 3 PHE HA 1 6 ILE MG 4.000 . 5.500 3.477 3.341 3.563 . 0 0 "[ .]" 1
22 1 3 PHE HA 1 7 LYS H 4.000 . 5.000 4.274 4.203 4.321 . 0 0 "[ .]" 1
23 1 3 PHE QB 1 4 ASP H 3.000 . 3.500 2.910 2.727 3.073 . 0 0 "[ .]" 1
24 1 3 PHE QD 1 4 ASP H 4.000 . 5.500 4.439 4.227 4.552 . 0 0 "[ .]" 1
25 1 3 PHE QD 1 6 ILE HB 4.000 . 5.500 3.291 2.714 3.637 . 0 0 "[ .]" 1
26 1 3 PHE QD 1 6 ILE MD 3.000 . 4.300 2.783 2.238 3.416 . 0 0 "[ .]" 1
27 1 3 PHE QD 1 6 ILE QG 4.000 . 6.000 4.561 4.363 4.709 . 0 0 "[ .]" 1
28 1 3 PHE QD 1 6 ILE MG 3.000 . 4.300 3.075 2.542 3.416 . 0 0 "[ .]" 1
29 1 3 PHE QD 1 7 LYS QD 4.000 . 6.000 3.386 2.336 3.945 . 0 0 "[ .]" 1
30 1 3 PHE QD 1 7 LYS QE 4.000 . 6.000 3.064 2.531 3.910 . 0 0 "[ .]" 1
31 1 3 PHE QE 1 6 ILE MD 4.000 . 6.000 3.223 2.846 3.841 . 0 0 "[ .]" 1
32 1 3 PHE QE 1 6 ILE MG 4.000 . 6.000 2.652 2.231 2.943 . 0 0 "[ .]" 1
33 1 3 PHE QE 1 7 LYS QD 4.000 . 6.000 2.972 2.309 3.837 . 0 0 "[ .]" 1
34 1 4 ASP H 1 4 ASP QB 3.000 . 3.500 2.520 2.429 2.631 . 0 0 "[ .]" 1
35 1 4 ASP H 1 5 ILE HB 3.000 . 5.000 4.617 4.468 4.812 . 0 0 "[ .]" 1
36 1 4 ASP HA 1 5 ILE H 3.000 . 3.500 3.555 3.550 3.569 0.069 3 0 "[ .]" 1
37 1 4 ASP HA 1 7 LYS H 3.000 . 3.500 3.301 3.268 3.334 . 0 0 "[ .]" 1
38 1 4 ASP HA 1 7 LYS QB 3.000 . 3.300 2.547 2.501 2.634 . 0 0 "[ .]" 1
39 1 4 ASP HA 1 7 LYS QD 4.000 . 5.500 4.670 3.949 4.980 . 0 0 "[ .]" 1
40 1 4 ASP QB 1 5 ILE H 3.000 . 3.500 2.352 2.282 2.467 . 0 0 "[ .]" 1
41 1 5 ILE H 1 5 ILE HB 2.500 . 2.900 2.274 2.261 2.300 . 0 0 "[ .]" 1
42 1 5 ILE H 1 5 ILE MD 3.000 . 4.000 3.306 3.300 3.315 . 0 0 "[ .]" 1
43 1 5 ILE H 1 5 ILE HG12 3.000 . 3.500 3.554 3.544 3.560 0.060 3 0 "[ .]" 1
44 1 5 ILE H 1 5 ILE HG13 2.500 . 2.900 2.201 2.185 2.210 . 0 0 "[ .]" 1
45 1 5 ILE H 1 5 ILE MG 3.000 . 4.000 3.644 3.640 3.651 . 0 0 "[ .]" 1
46 1 5 ILE H 1 6 ILE H 2.500 . 2.900 2.704 2.635 2.747 . 0 0 "[ .]" 1
47 1 5 ILE H 1 6 ILE HB 4.000 . 5.000 4.462 4.392 4.505 . 0 0 "[ .]" 1
48 1 5 ILE HA 1 5 ILE MD 3.000 . 4.300 3.760 3.756 3.766 . 0 0 "[ .]" 1
49 1 5 ILE HA 1 5 ILE HG12 2.500 . 2.700 2.477 2.471 2.489 . 0 0 "[ .]" 1
50 1 5 ILE HA 1 5 ILE HG13 3.000 . 3.300 2.701 2.682 2.731 . 0 0 "[ .]" 1
51 1 5 ILE HA 1 5 ILE MG 2.500 . 3.200 2.415 2.380 2.430 . 0 0 "[ .]" 1
52 1 5 ILE HA 1 6 ILE H 3.000 . 3.500 3.547 3.534 3.554 0.054 5 0 "[ .]" 1
53 1 5 ILE HA 1 8 LYS H 3.000 . 3.500 3.091 3.053 3.160 . 0 0 "[ .]" 1
54 1 5 ILE HA 1 8 LYS QB 3.000 . 3.500 2.333 2.314 2.349 . 0 0 "[ .]" 1
55 1 5 ILE HA 1 8 LYS QD 3.000 . 3.800 3.154 2.968 3.210 . 0 0 "[ .]" 1
56 1 5 ILE HB 1 5 ILE MD 2.500 . 3.200 2.299 2.233 2.328 . 0 0 "[ .]" 1
57 1 5 ILE HB 1 6 ILE H 2.500 . 3.400 2.603 2.577 2.629 . 0 0 "[ .]" 1
58 1 5 ILE HB 1 6 ILE HA 4.000 . 6.000 4.497 4.471 4.511 . 0 0 "[ .]" 1
59 1 6 ILE H 1 6 ILE HB 2.500 . 2.900 2.106 2.089 2.117 . 0 0 "[ .]" 1
60 1 6 ILE H 1 6 ILE MD 3.000 . 4.000 3.265 3.251 3.279 . 0 0 "[ .]" 1
61 1 6 ILE H 1 6 ILE HG12 3.000 . 3.800 3.922 3.906 3.943 0.143 1 0 "[ .]" 1
62 1 6 ILE H 1 6 ILE HG13 2.500 . 2.900 2.644 2.620 2.681 . 0 0 "[ .]" 1
63 1 6 ILE H 1 6 ILE MG 3.000 . 4.000 3.569 3.553 3.578 . 0 0 "[ .]" 1
64 1 6 ILE H 1 8 LYS H 3.000 . 3.800 3.817 3.794 3.870 0.070 1 0 "[ .]" 1
65 1 6 ILE HA 1 6 ILE MD 3.000 . 4.300 3.731 3.727 3.733 . 0 0 "[ .]" 1
66 1 6 ILE HA 1 6 ILE HG13 3.000 . 3.300 2.441 2.434 2.451 . 0 0 "[ .]" 1
67 1 6 ILE HA 1 6 ILE MG 2.500 . 3.200 2.582 2.576 2.588 . 0 0 "[ .]" 1
68 1 6 ILE HA 1 7 LYS H 3.000 . 3.500 3.471 3.453 3.477 . 0 0 "[ .]" 1
69 1 6 ILE HA 1 8 LYS H 4.000 . 5.000 4.076 4.039 4.102 . 0 0 "[ .]" 1
70 1 6 ILE HA 1 9 ILE H 3.000 . 3.500 3.201 3.175 3.248 . 0 0 "[ .]" 1
71 1 6 ILE HA 1 9 ILE HB 2.500 . 2.700 2.335 2.325 2.352 . 0 0 "[ .]" 1
72 1 6 ILE HA 1 9 ILE HG12 4.000 . 5.000 4.247 4.218 4.305 . 0 0 "[ .]" 1
73 1 6 ILE HA 1 9 ILE HG13 3.000 . 3.300 3.218 3.168 3.305 0.005 3 0 "[ .]" 1
74 1 6 ILE HA 1 9 ILE MG 3.000 . 4.300 3.584 3.576 3.592 . 0 0 "[ .]" 1
75 1 6 ILE HA 1 10 ALA H 4.000 . 5.000 4.455 4.441 4.493 . 0 0 "[ .]" 1
76 1 6 ILE HB 1 7 LYS H 2.500 . 3.400 2.880 2.856 2.925 . 0 0 "[ .]" 1
77 1 6 ILE HB 1 7 LYS HA 4.000 . 5.000 4.712 4.699 4.718 . 0 0 "[ .]" 1
78 1 6 ILE MD 1 7 LYS H 4.000 . 5.500 4.626 4.611 4.653 . 0 0 "[ .]" 1
79 1 6 ILE MG 1 7 LYS H 3.000 . 4.000 3.166 3.148 3.211 . 0 0 "[ .]" 1
80 1 6 ILE MG 1 7 LYS HA 3.000 . 4.300 3.242 3.228 3.265 . 0 0 "[ .]" 1
81 1 6 ILE MG 1 10 ALA H 4.000 . 5.500 4.452 4.426 4.474 . 0 0 "[ .]" 1
82 1 7 LYS H 1 7 LYS QB 2.500 . 2.900 2.382 2.318 2.486 . 0 0 "[ .]" 1
83 1 7 LYS H 1 7 LYS QD 4.000 . 5.500 3.981 3.750 4.322 . 0 0 "[ .]" 1
84 1 7 LYS H 1 7 LYS QG 3.000 . 3.500 2.446 2.107 2.586 . 0 0 "[ .]" 1
85 1 7 LYS H 1 8 LYS H 2.500 . 2.900 2.268 2.253 2.305 . 0 0 "[ .]" 1
86 1 7 LYS H 1 9 ILE H 3.000 . 3.500 3.683 3.673 3.687 0.187 4 0 "[ .]" 1
87 1 7 LYS H 1 10 ALA MB 4.000 . 6.500 4.708 4.696 4.718 . 0 0 "[ .]" 1
88 1 7 LYS HA 1 7 LYS QD 3.000 . 3.800 2.431 2.150 3.310 . 0 0 "[ .]" 1
89 1 7 LYS HA 1 7 LYS QG 3.000 . 3.300 2.614 2.311 2.757 . 0 0 "[ .]" 1
90 1 7 LYS HA 1 8 LYS H 3.000 . 3.500 3.461 3.446 3.481 . 0 0 "[ .]" 1
91 1 7 LYS HA 1 10 ALA H 3.000 . 3.500 3.269 3.209 3.298 . 0 0 "[ .]" 1
92 1 7 LYS HA 1 10 ALA MB 2.500 . 3.200 2.542 2.459 2.568 . 0 0 "[ .]" 1
93 1 7 LYS HA 1 11 GLU H 4.000 . 5.000 4.385 3.875 4.541 . 0 0 "[ .]" 1
94 1 7 LYS QB 1 8 LYS H 3.000 . 3.500 2.813 2.768 2.851 . 0 0 "[ .]" 1
95 1 8 LYS H 1 8 LYS QB 2.500 . 3.400 2.365 2.165 2.421 . 0 0 "[ .]" 1
96 1 8 LYS H 1 8 LYS QG 4.000 . 5.000 2.683 2.412 3.682 . 0 0 "[ .]" 1
97 1 8 LYS H 1 9 ILE H 2.500 . 2.900 2.318 2.292 2.333 . 0 0 "[ .]" 1
98 1 8 LYS H 1 10 ALA H 4.000 . 5.000 3.602 3.580 3.621 . 0 0 "[ .]" 1
99 1 8 LYS HA 1 8 LYS QD 3.000 . 3.800 3.314 2.523 3.526 . 0 0 "[ .]" 1
100 1 8 LYS HA 1 8 LYS QG 3.000 . 3.300 2.269 2.234 2.284 . 0 0 "[ .]" 1
101 1 8 LYS HA 1 9 ILE H 3.000 . 3.500 3.490 3.480 3.495 . 0 0 "[ .]" 1
102 1 8 LYS HA 1 10 ALA H 3.000 . 3.500 3.708 3.686 3.725 0.225 3 0 "[ .]" 1
103 1 8 LYS QB 1 11 GLU H 4.000 . 5.500 4.468 4.350 4.751 . 0 0 "[ .]" 1
104 1 9 ILE H 1 9 ILE HB 2.500 . 2.900 2.159 2.123 2.171 . 0 0 "[ .]" 1
105 1 9 ILE H 1 9 ILE MD 3.000 . 4.000 3.413 3.407 3.418 . 0 0 "[ .]" 1
106 1 9 ILE H 1 9 ILE HG12 3.000 . 3.500 3.655 3.644 3.677 0.177 3 0 "[ .]" 1
107 1 9 ILE H 1 9 ILE HG13 2.500 . 2.900 2.362 2.348 2.393 . 0 0 "[ .]" 1
108 1 9 ILE H 1 9 ILE MG 3.000 . 4.000 3.588 3.571 3.594 . 0 0 "[ .]" 1
109 1 9 ILE H 1 10 ALA H 2.500 . 2.900 2.410 2.402 2.415 . 0 0 "[ .]" 1
110 1 9 ILE H 1 10 ALA MB 3.000 . 5.000 4.107 4.098 4.124 . 0 0 "[ .]" 1
111 1 9 ILE HA 1 9 ILE MD 3.000 . 4.300 3.749 3.744 3.750 . 0 0 "[ .]" 1
112 1 9 ILE HA 1 9 ILE HG12 2.500 . 3.200 2.448 2.444 2.452 . 0 0 "[ .]" 1
113 1 9 ILE HA 1 9 ILE HG13 2.500 . 3.200 2.684 2.667 2.696 . 0 0 "[ .]" 1
114 1 9 ILE HA 1 9 ILE MG 2.500 . 3.200 2.460 2.453 2.480 . 0 0 "[ .]" 1
115 1 9 ILE HA 1 10 ALA H 3.000 . 3.500 3.426 3.423 3.431 . 0 0 "[ .]" 1
116 1 9 ILE HA 1 11 GLU H 4.000 . 6.000 4.444 4.265 4.960 . 0 0 "[ .]" 1
117 1 9 ILE HA 1 13 PHE QD 4.000 . 5.500 4.637 3.855 4.840 . 0 0 "[ .]" 1
118 1 9 ILE HA 1 13 PHE QE 4.000 . 6.500 4.469 4.416 4.640 . 0 0 "[ .]" 1
119 1 9 ILE HB 1 10 ALA H 2.500 . 3.400 2.785 2.778 2.792 . 0 0 "[ .]" 1
120 1 9 ILE MD 1 10 ALA H 4.000 . 5.500 4.607 4.602 4.615 . 0 0 "[ .]" 1
121 1 9 ILE HG13 1 10 ALA H 4.000 . 5.000 4.379 4.370 4.401 . 0 0 "[ .]" 1
122 1 9 ILE MG 1 10 ALA H 3.000 . 4.000 3.334 3.315 3.341 . 0 0 "[ .]" 1
123 1 9 ILE MG 1 12 SER H 4.000 . 6.500 4.480 4.378 4.810 . 0 0 "[ .]" 1
124 1 9 ILE MG 1 13 PHE H 4.000 . 6.500 4.485 4.429 4.516 . 0 0 "[ .]" 1
125 1 9 ILE MG 1 13 PHE QD 3.000 . 4.800 3.117 2.508 3.275 . 0 0 "[ .]" 1
126 1 9 ILE MG 1 13 PHE QE 3.000 . 4.300 1.951 1.949 1.953 . 0 0 "[ .]" 1
127 1 9 ILE MG 1 13 PHE HZ 4.000 . 5.500 2.540 2.281 3.540 . 0 0 "[ .]" 1
128 1 10 ALA H 1 10 ALA MB 2.500 . 3.400 2.239 2.230 2.256 . 0 0 "[ .]" 1
129 1 10 ALA H 1 11 GLU H 2.500 . 2.900 2.414 2.383 2.453 . 0 0 "[ .]" 1
130 1 10 ALA H 1 12 SER H 4.000 . 5.000 3.559 3.478 3.595 . 0 0 "[ .]" 1
131 1 10 ALA HA 1 11 GLU H 3.000 . 3.500 3.522 3.504 3.563 0.063 3 0 "[ .]" 1
132 1 10 ALA HA 1 13 PHE H 3.000 . 3.500 3.335 3.008 3.425 . 0 0 "[ .]" 1
133 1 10 ALA HA 1 13 PHE QD 3.000 . 3.800 3.436 3.336 3.788 . 0 0 "[ .]" 1
134 1 10 ALA MB 1 11 GLU H 2.500 . 3.400 2.546 2.305 2.651 . 0 0 "[ .]" 1
135 1 10 ALA MB 1 12 SER H 4.000 . 5.500 4.134 4.042 4.183 . 0 0 "[ .]" 1
136 1 10 ALA MB 1 13 PHE H 4.000 . 6.500 4.492 4.251 4.567 . 0 0 "[ .]" 1
137 1 10 ALA MB 1 13 PHE QD 4.000 . 6.000 4.418 4.314 4.800 . 0 0 "[ .]" 1
138 1 11 GLU H 1 11 GLU QB 2.500 . 2.900 2.327 2.287 2.371 . 0 0 "[ .]" 1
139 1 11 GLU H 1 11 GLU QG 3.000 . 3.500 2.427 2.273 2.537 . 0 0 "[ .]" 1
140 1 11 GLU H 1 12 SER H 2.500 . 2.900 2.423 2.358 2.619 . 0 0 "[ .]" 1
141 1 11 GLU HA 1 11 GLU QG 3.000 . 3.300 2.442 2.257 2.748 . 0 0 "[ .]" 1
142 1 11 GLU HA 1 12 SER H 3.000 . 3.500 3.402 3.391 3.438 . 0 0 "[ .]" 1
143 1 11 GLU HA 1 13 PHE H 4.000 . 5.000 4.126 4.044 4.372 . 0 0 "[ .]" 1
144 1 11 GLU QB 1 12 SER H 3.000 . 3.500 3.046 2.955 3.082 . 0 0 "[ .]" 1
145 1 12 SER H 1 12 SER QB 2.500 . 2.900 2.245 2.197 2.278 . 0 0 "[ .]" 1
146 1 12 SER H 1 13 PHE H 2.500 . 2.900 2.405 2.329 2.438 . 0 0 "[ .]" 1
147 1 12 SER H 1 13 PHE QD 4.000 . 5.500 4.763 4.726 4.880 . 0 0 "[ .]" 1
148 1 12 SER HA 1 13 PHE H 3.000 . 3.500 3.515 3.512 3.522 0.022 3 0 "[ .]" 1
149 1 12 SER QB 1 13 PHE H 3.000 . 3.500 2.755 2.725 2.827 . 0 0 "[ .]" 1
150 1 13 PHE H 1 13 PHE QB 3.000 . 3.500 3.068 2.850 3.130 . 0 0 "[ .]" 1
151 1 13 PHE HA 1 13 PHE QD 3.000 . 3.800 3.646 3.484 3.688 . 0 0 "[ .]" 1
stop_
save_
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