NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
560300 |
2m5q   |
19071 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m5q
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 208
_Distance_constraint_stats_list.Viol_count 374
_Distance_constraint_stats_list.Viol_total 310.110
_Distance_constraint_stats_list.Viol_max 0.424
_Distance_constraint_stats_list.Viol_rms 0.0529
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0149
_Distance_constraint_stats_list.Viol_average_violations_only 0.0829
_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 3 GLN 0.583 0.241 4 0 "[ . 1]"
1 4 GLY 0.135 0.072 10 0 "[ . 1]"
1 5 THR 0.715 0.177 4 0 "[ . 1]"
1 6 PHE 1.327 0.241 4 0 "[ . 1]"
1 7 THR 0.192 0.062 5 0 "[ . 1]"
1 8 SER 0.000 0.000 . 0 "[ . 1]"
1 9 ASP 0.181 0.065 5 0 "[ . 1]"
1 10 TYR 0.957 0.133 3 0 "[ . 1]"
1 11 SER 0.000 0.000 . 0 "[ . 1]"
1 12 LYS 0.091 0.026 8 0 "[ . 1]"
1 13 LYS 0.727 0.223 7 0 "[ . 1]"
1 14 LEU 2.117 0.206 1 0 "[ . 1]"
1 15 ASP 1.123 0.180 7 0 "[ . 1]"
1 17 ARG 2.544 0.223 7 0 "[ . 1]"
1 18 ARG 4.397 0.198 6 0 "[ . 1]"
1 19 ALA 2.541 0.198 6 0 "[ . 1]"
1 20 GLN 1.931 0.199 7 0 "[ . 1]"
1 21 ASP 0.263 0.046 8 0 "[ . 1]"
1 22 PHE 5.115 0.244 7 0 "[ . 1]"
1 23 VAL 1.280 0.079 8 0 "[ . 1]"
1 24 GLN 3.229 0.173 3 0 "[ . 1]"
1 25 TRP 12.509 0.424 10 0 "[ . 1]"
1 26 LEU 6.999 0.419 9 0 "[ . 1]"
1 27 MET 1.799 0.173 3 0 "[ . 1]"
1 28 ASN 0.053 0.023 3 0 "[ . 1]"
1 29 THR 0.006 0.002 8 0 "[ . 1]"
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 3 GLN HA 1 3 GLN QB 2.500 . 3.000 2.342 2.184 2.520 . 0 0 "[ . 1]" 1
2 1 3 GLN HA 1 3 GLN QG 3.000 . 4.000 2.692 2.166 3.327 . 0 0 "[ . 1]" 1
3 1 3 GLN HA 1 6 PHE QB 3.000 . 4.000 3.599 2.305 4.241 0.241 4 0 "[ . 1]" 1
4 1 3 GLN HA 1 6 PHE QD 3.000 . 4.000 3.338 2.588 4.033 0.033 6 0 "[ . 1]" 1
5 1 3 GLN QB 1 7 THR MG 4.000 . 5.000 4.959 4.493 5.035 0.035 5 0 "[ . 1]" 1
6 1 4 GLY QA 1 5 THR MG 2.500 . 3.000 2.986 2.838 3.072 0.072 10 0 "[ . 1]" 1
7 1 5 THR HA 1 5 THR HB 3.000 . 4.000 2.252 2.236 2.294 . 0 0 "[ . 1]" 1
8 1 5 THR HA 1 5 THR MG 2.500 . 3.000 2.827 2.630 3.068 0.068 6 0 "[ . 1]" 1
9 1 5 THR MG 1 6 PHE HA 4.000 . 5.000 5.051 5.004 5.177 0.177 4 0 "[ . 1]" 1
10 1 6 PHE HA 1 6 PHE QB 2.500 . 3.000 2.281 2.157 2.537 . 0 0 "[ . 1]" 1
11 1 6 PHE HA 1 6 PHE QD 2.500 . 3.600 2.974 2.319 3.643 0.043 7 0 "[ . 1]" 1
12 1 6 PHE HA 1 9 ASP QB 3.000 . 4.000 3.595 2.327 4.065 0.065 5 0 "[ . 1]" 1
13 1 6 PHE QB 1 6 PHE QD 2.500 . 3.000 2.165 2.148 2.226 . 0 0 "[ . 1]" 1
14 1 6 PHE QB 1 7 THR HA 4.000 . 5.000 4.549 3.670 4.803 . 0 0 "[ . 1]" 1
15 1 6 PHE QB 1 10 TYR QE 4.000 . 5.000 4.957 4.417 5.050 0.050 7 0 "[ . 1]" 1
16 1 6 PHE QD 1 7 THR HA 4.000 . 5.000 4.016 3.734 4.897 . 0 0 "[ . 1]" 1
17 1 6 PHE QD 1 7 THR MG 4.000 . 5.000 2.999 2.193 4.675 . 0 0 "[ . 1]" 1
18 1 6 PHE QD 1 10 TYR QB 4.000 . 5.000 3.825 2.115 4.988 . 0 0 "[ . 1]" 1
19 1 7 THR HA 1 7 THR HB 2.500 . 3.000 2.440 2.246 2.974 . 0 0 "[ . 1]" 1
20 1 7 THR HA 1 7 THR MG 2.500 . 3.000 2.526 2.176 3.062 0.062 5 0 "[ . 1]" 1
21 1 7 THR HA 1 10 TYR QB 2.500 . 3.000 2.772 2.318 3.009 0.009 7 0 "[ . 1]" 1
22 1 7 THR MG 1 10 TYR QB 4.000 . 5.000 4.416 3.760 4.846 . 0 0 "[ . 1]" 1
23 1 8 SER HA 1 8 SER QB 2.500 . 3.000 2.371 2.173 2.538 . 0 0 "[ . 1]" 1
24 1 9 ASP HA 1 9 ASP QB 2.500 . 3.000 2.404 2.214 2.517 . 0 0 "[ . 1]" 1
25 1 9 ASP HA 1 12 LYS QB 4.000 . 5.000 4.493 3.625 5.008 0.008 3 0 "[ . 1]" 1
26 1 9 ASP HA 1 12 LYS QG 4.000 . 5.000 4.823 4.099 5.020 0.020 10 0 "[ . 1]" 1
27 1 10 TYR HA 1 10 TYR HB2 2.500 . 3.000 2.721 2.381 3.001 0.001 2 0 "[ . 1]" 1
28 1 10 TYR HA 1 10 TYR QB 2.500 . 3.000 2.483 2.297 2.544 . 0 0 "[ . 1]" 1
29 1 10 TYR HA 1 10 TYR QD 2.500 . 3.000 2.518 2.323 2.836 . 0 0 "[ . 1]" 1
30 1 10 TYR HA 1 10 TYR QE 4.000 . 5.000 4.281 4.176 4.568 . 0 0 "[ . 1]" 1
31 1 10 TYR HA 1 13 LYS QB 3.000 . 4.000 3.703 2.833 4.066 0.066 6 0 "[ . 1]" 1
32 1 10 TYR QB 1 10 TYR QD 2.500 . 3.000 2.179 2.148 2.212 . 0 0 "[ . 1]" 1
33 1 10 TYR QB 1 10 TYR QE 3.000 . 4.000 3.976 3.960 3.990 . 0 0 "[ . 1]" 1
34 1 10 TYR QB 1 14 LEU QD 4.000 . 5.000 3.604 3.305 3.911 . 0 0 "[ . 1]" 1
35 1 10 TYR QD 1 14 LEU HA 3.000 . 6.000 5.700 5.276 6.021 0.021 3 0 "[ . 1]" 1
36 1 10 TYR QD 1 14 LEU QB 4.000 . 5.000 4.056 2.385 5.035 0.035 8 0 "[ . 1]" 1
37 1 10 TYR QD 1 14 LEU QD 2.500 . 3.000 2.312 2.041 2.834 . 0 0 "[ . 1]" 1
38 1 10 TYR QE 1 14 LEU HA 4.000 . 5.000 5.056 5.007 5.133 0.133 3 0 "[ . 1]" 1
39 1 10 TYR QE 1 14 LEU QD 2.500 . 3.000 2.359 2.064 2.906 . 0 0 "[ . 1]" 1
40 1 11 SER HA 1 11 SER QB 2.500 . 3.000 2.255 2.162 2.509 . 0 0 "[ . 1]" 1
41 1 12 LYS HA 1 12 LYS QD 3.000 . 4.000 3.105 2.315 3.890 . 0 0 "[ . 1]" 1
42 1 12 LYS HA 1 12 LYS QG 2.500 . 3.000 2.414 2.285 2.606 . 0 0 "[ . 1]" 1
43 1 12 LYS HA 1 15 ASP QB 3.000 . 4.000 3.801 2.396 4.026 0.026 8 0 "[ . 1]" 1
44 1 12 LYS QE 1 12 LYS QG 3.000 . 4.000 2.254 2.126 2.617 . 0 0 "[ . 1]" 1
45 1 13 LYS H 1 13 LYS HA 3.000 . 4.000 2.892 2.730 2.955 . 0 0 "[ . 1]" 1
46 1 13 LYS H 1 13 LYS QB 3.000 . 4.000 2.551 2.232 2.932 . 0 0 "[ . 1]" 1
47 1 13 LYS HA 1 13 LYS QB 2.500 . 3.000 2.454 2.347 2.525 . 0 0 "[ . 1]" 1
48 1 13 LYS HA 1 13 LYS QD 2.500 . 4.000 2.980 2.141 4.044 0.044 3 0 "[ . 1]" 1
49 1 13 LYS QD 1 17 ARG QB 3.000 . 5.000 2.918 1.952 4.598 . 0 0 "[ . 1]" 1
50 1 13 LYS QE 1 13 LYS QG 2.500 . 3.000 2.318 2.094 2.923 . 0 0 "[ . 1]" 1
51 1 13 LYS QG 1 17 ARG H 4.000 . 5.000 4.634 3.868 5.223 0.223 7 0 "[ . 1]" 1
52 1 14 LEU HA 1 14 LEU QB 2.500 . 3.000 2.199 2.155 2.355 . 0 0 "[ . 1]" 1
53 1 14 LEU HA 1 14 LEU QD 2.500 . 3.000 2.656 2.387 3.206 0.206 1 0 "[ . 1]" 1
54 1 14 LEU HA 1 14 LEU HG 3.000 . 4.000 3.334 2.337 4.041 0.041 3 0 "[ . 1]" 1
55 1 14 LEU HA 1 18 ARG H 4.000 . 4.000 2.876 2.718 3.239 . 0 0 "[ . 1]" 1
56 1 14 LEU QB 1 14 LEU QD 2.500 . 3.000 1.913 1.861 2.044 . 0 0 "[ . 1]" 1
57 1 14 LEU QB 1 14 LEU HG 2.500 . 3.000 2.400 2.183 2.531 . 0 0 "[ . 1]" 1
58 1 14 LEU QB 1 15 ASP QB 3.000 . 4.000 3.859 3.664 4.044 0.044 8 0 "[ . 1]" 1
59 1 14 LEU QB 1 17 ARG H 4.000 . 5.000 4.555 4.261 4.897 . 0 0 "[ . 1]" 1
60 1 14 LEU QB 1 18 ARG H 3.000 . 4.000 4.006 3.866 4.118 0.118 7 0 "[ . 1]" 1
61 1 14 LEU QD 1 15 ASP QB 4.000 . 5.000 4.086 3.024 4.508 . 0 0 "[ . 1]" 1
62 1 14 LEU QD 1 18 ARG H 3.000 . 4.700 4.787 4.708 4.826 0.126 1 0 "[ . 1]" 1
63 1 15 ASP HA 1 15 ASP QB 2.500 . 3.000 2.410 2.193 2.484 . 0 0 "[ . 1]" 1
64 1 15 ASP HA 1 17 ARG QB 4.000 . 6.000 5.962 5.776 6.112 0.112 6 0 "[ . 1]" 1
65 1 15 ASP HA 1 18 ARG QB 3.000 . 4.000 4.076 4.036 4.180 0.180 7 0 "[ . 1]" 1
66 1 17 ARG H 1 20 GLN H 4.000 . 5.000 4.020 3.714 4.364 . 0 0 "[ . 1]" 1
67 1 17 ARG HA 1 17 ARG QD 2.500 . 3.000 2.318 2.155 2.554 . 0 0 "[ . 1]" 1
68 1 17 ARG HA 1 20 GLN QB 4.000 . 5.000 3.305 3.215 3.420 . 0 0 "[ . 1]" 1
69 1 17 ARG HA 1 21 ASP QB 3.000 . 4.000 4.026 4.007 4.046 0.046 8 0 "[ . 1]" 1
70 1 17 ARG QB 1 17 ARG QD 2.500 . 3.000 2.304 2.155 2.933 . 0 0 "[ . 1]" 1
71 1 17 ARG QB 1 18 ARG QB 4.000 . 5.000 3.631 3.564 3.831 . 0 0 "[ . 1]" 1
72 1 17 ARG QB 1 20 GLN H 3.000 . 5.000 5.150 5.122 5.199 0.199 7 0 "[ . 1]" 1
73 1 18 ARG H 1 18 ARG HA 2.500 . 3.000 2.963 2.960 2.967 . 0 0 "[ . 1]" 1
74 1 18 ARG H 1 18 ARG QB 2.500 . 3.000 2.496 2.387 2.529 . 0 0 "[ . 1]" 1
75 1 18 ARG H 1 18 ARG QD 4.000 . 5.000 4.704 4.408 4.898 . 0 0 "[ . 1]" 1
76 1 18 ARG H 1 18 ARG QG 3.000 . 4.000 4.046 3.811 4.096 0.096 4 0 "[ . 1]" 1
77 1 18 ARG H 1 19 ALA HA 4.000 . 5.000 4.506 4.438 4.624 . 0 0 "[ . 1]" 1
78 1 18 ARG H 1 19 ALA MB 2.500 . 3.000 3.172 3.151 3.198 0.198 6 0 "[ . 1]" 1
79 1 18 ARG H 1 20 GLN H 4.000 . 5.000 3.517 3.399 3.677 . 0 0 "[ . 1]" 1
80 1 18 ARG HA 1 18 ARG QB 2.500 . 3.000 2.480 2.451 2.549 . 0 0 "[ . 1]" 1
81 1 18 ARG HA 1 18 ARG QD 3.000 . 4.000 3.798 2.223 4.073 0.073 2 0 "[ . 1]" 1
82 1 18 ARG QB 1 18 ARG QD 2.500 . 3.000 2.192 2.098 2.297 . 0 0 "[ . 1]" 1
83 1 18 ARG QB 1 19 ALA H 4.000 . 5.000 3.454 3.365 3.620 . 0 0 "[ . 1]" 1
84 1 19 ALA HA 1 22 PHE QB 3.000 . 4.000 2.544 2.323 2.617 . 0 0 "[ . 1]" 1
85 1 19 ALA HA 1 22 PHE QD 3.000 . 4.000 3.922 3.576 4.022 0.022 5 0 "[ . 1]" 1
86 1 19 ALA HA 1 23 VAL H 4.000 . 5.000 3.168 3.017 3.244 . 0 0 "[ . 1]" 1
87 1 19 ALA HA 1 23 VAL QG 4.000 . 5.000 2.876 2.643 3.005 . 0 0 "[ . 1]" 1
88 1 19 ALA MB 1 20 GLN H 2.500 . 3.000 2.716 2.631 2.774 . 0 0 "[ . 1]" 1
89 1 19 ALA MB 1 20 GLN QB 4.000 . 4.000 3.846 3.777 4.012 0.012 8 0 "[ . 1]" 1
90 1 19 ALA MB 1 20 GLN QG 4.000 . 5.000 4.929 4.037 5.081 0.081 9 0 "[ . 1]" 1
91 1 19 ALA MB 1 22 PHE QB 3.000 . 4.000 3.954 3.785 4.004 0.004 6 0 "[ . 1]" 1
92 1 19 ALA MB 1 22 PHE QD 4.000 . 5.000 4.979 4.714 5.018 0.018 6 0 "[ . 1]" 1
93 1 19 ALA MB 1 23 VAL HB 3.000 . 4.000 4.040 4.019 4.079 0.079 8 0 "[ . 1]" 1
94 1 19 ALA MB 1 23 VAL QG 2.500 . 3.000 2.941 2.840 3.007 0.007 3 0 "[ . 1]" 1
95 1 20 GLN H 1 20 GLN HA 2.500 . 3.000 2.869 2.843 2.902 . 0 0 "[ . 1]" 1
96 1 20 GLN H 1 20 GLN QB 3.000 . 4.000 2.260 2.070 2.311 . 0 0 "[ . 1]" 1
97 1 20 GLN H 1 20 GLN QG 4.000 . 5.000 3.920 3.391 4.021 . 0 0 "[ . 1]" 1
98 1 20 GLN H 1 23 VAL QG 4.000 . 5.000 4.716 4.657 4.762 . 0 0 "[ . 1]" 1
99 1 20 GLN HA 1 20 GLN QG 3.000 . 4.000 2.283 2.145 2.327 . 0 0 "[ . 1]" 1
100 1 20 GLN HA 1 23 VAL H 4.000 . 4.000 3.930 3.779 4.049 0.049 5 0 "[ . 1]" 1
101 1 20 GLN HA 1 23 VAL HB 4.000 . 5.000 3.366 3.268 3.504 . 0 0 "[ . 1]" 1
102 1 20 GLN HA 1 23 VAL QG 3.000 . 4.000 3.970 3.912 4.057 0.057 5 0 "[ . 1]" 1
103 1 21 ASP HA 1 21 ASP QB 2.500 . 3.000 2.399 2.156 2.542 . 0 0 "[ . 1]" 1
104 1 21 ASP HA 1 24 GLN H 3.000 . 5.000 4.216 4.015 4.382 . 0 0 "[ . 1]" 1
105 1 22 PHE H 1 22 PHE QE 4.000 . 6.000 6.195 6.131 6.244 0.244 7 0 "[ . 1]" 1
106 1 22 PHE HA 1 22 PHE HB2 2.500 . 3.000 2.581 2.572 2.586 . 0 0 "[ . 1]" 1
107 1 22 PHE HA 1 22 PHE QB 2.500 . 3.000 2.441 2.434 2.444 . 0 0 "[ . 1]" 1
108 1 22 PHE HA 1 22 PHE QD 2.500 . 3.000 2.319 2.313 2.325 . 0 0 "[ . 1]" 1
109 1 22 PHE HA 1 22 PHE QE 3.000 . 4.000 4.197 4.191 4.207 0.207 5 0 "[ . 1]" 1
110 1 22 PHE HA 1 23 VAL H 4.000 . 5.000 3.566 3.563 3.573 . 0 0 "[ . 1]" 1
111 1 22 PHE HA 1 25 TRP H 3.000 . 4.000 3.859 3.747 3.960 . 0 0 "[ . 1]" 1
112 1 22 PHE HA 1 25 TRP QB 3.000 . 4.000 3.887 3.833 3.926 . 0 0 "[ . 1]" 1
113 1 22 PHE HA 1 25 TRP HE3 3.000 . 4.000 3.397 3.125 3.518 . 0 0 "[ . 1]" 1
114 1 22 PHE HA 1 25 TRP HZ3 4.000 . 5.000 4.616 4.225 4.773 . 0 0 "[ . 1]" 1
115 1 22 PHE HA 1 26 LEU H 4.000 . 5.000 4.523 4.281 4.647 . 0 0 "[ . 1]" 1
116 1 22 PHE QB 1 22 PHE QD 2.500 . 3.000 2.155 2.153 2.156 . 0 0 "[ . 1]" 1
117 1 22 PHE QB 1 22 PHE QE 3.000 . 4.000 3.958 3.955 3.960 . 0 0 "[ . 1]" 1
118 1 22 PHE QB 1 23 VAL H 2.500 . 3.000 1.845 1.820 1.922 . 0 0 "[ . 1]" 1
119 1 22 PHE QB 1 23 VAL QG 3.000 . 4.000 2.699 2.592 2.791 . 0 0 "[ . 1]" 1
120 1 22 PHE QB 1 25 TRP H 4.000 . 5.000 5.072 5.048 5.098 0.098 5 0 "[ . 1]" 1
121 1 22 PHE HB3 1 22 PHE QD 2.500 . 3.000 2.312 2.309 2.315 . 0 0 "[ . 1]" 1
122 1 22 PHE QD 1 23 VAL H 3.000 . 4.000 3.195 3.152 3.293 . 0 0 "[ . 1]" 1
123 1 22 PHE QD 1 23 VAL HA 4.000 . 5.000 3.609 3.594 3.631 . 0 0 "[ . 1]" 1
124 1 22 PHE QD 1 23 VAL QG 2.500 . 3.000 2.572 2.415 2.763 . 0 0 "[ . 1]" 1
125 1 22 PHE QD 1 26 LEU QD 3.000 . 4.000 3.629 3.494 3.672 . 0 0 "[ . 1]" 1
126 1 22 PHE QE 1 23 VAL HA 4.000 . 5.000 5.027 5.010 5.040 0.040 1 0 "[ . 1]" 1
127 1 22 PHE QE 1 23 VAL QG 4.000 . 5.000 4.246 4.124 4.289 . 0 0 "[ . 1]" 1
128 1 22 PHE QE 1 25 TRP HZ3 2.500 . 3.000 2.820 2.742 3.001 0.001 9 0 "[ . 1]" 1
129 1 22 PHE QE 1 26 LEU QB 4.000 . 5.000 3.838 3.824 3.869 . 0 0 "[ . 1]" 1
130 1 22 PHE QE 1 26 LEU QD 2.500 . 3.000 2.985 2.825 3.015 0.015 6 0 "[ . 1]" 1
131 1 23 VAL H 1 23 VAL HA 2.500 . 3.000 2.782 2.773 2.798 . 0 0 "[ . 1]" 1
132 1 23 VAL H 1 23 VAL HB 2.500 . 3.000 2.539 2.528 2.565 . 0 0 "[ . 1]" 1
133 1 23 VAL H 1 23 VAL QG 2.500 . 3.000 2.059 1.928 2.179 . 0 0 "[ . 1]" 1
134 1 23 VAL H 1 24 GLN H 2.500 . 3.000 2.858 2.831 2.886 . 0 0 "[ . 1]" 1
135 1 23 VAL H 1 24 GLN QB 4.000 . 5.000 4.606 4.424 4.837 . 0 0 "[ . 1]" 1
136 1 23 VAL HA 1 23 VAL HB 2.500 . 3.000 3.023 3.022 3.024 0.024 10 0 "[ . 1]" 1
137 1 23 VAL HA 1 23 VAL QG 2.500 . 3.000 2.056 2.023 2.076 . 0 0 "[ . 1]" 1
138 1 23 VAL HA 1 24 GLN H 4.000 . 5.000 3.296 3.269 3.313 . 0 0 "[ . 1]" 1
139 1 23 VAL HB 1 24 GLN H 4.000 . 5.000 3.558 3.518 3.590 . 0 0 "[ . 1]" 1
140 1 23 VAL MG1 1 23 VAL MG2 2.500 . 3.000 2.001 1.942 2.058 . 0 0 "[ . 1]" 1
141 1 23 VAL QG 1 24 GLN H 3.000 . 4.000 3.641 3.627 3.661 . 0 0 "[ . 1]" 1
142 1 23 VAL QG 1 26 LEU QB 2.500 . 3.000 2.809 2.745 3.005 0.005 9 0 "[ . 1]" 1
143 1 23 VAL QG 1 26 LEU QD 3.000 . 4.000 2.818 2.732 2.963 . 0 0 "[ . 1]" 1
144 1 23 VAL QG 1 27 MET H 4.000 . 5.000 3.627 3.563 3.806 . 0 0 "[ . 1]" 1
145 1 23 VAL QG 1 27 MET QB 3.000 . 3.000 3.022 3.005 3.056 0.056 5 0 "[ . 1]" 1
146 1 23 VAL QG 1 27 MET QG 2.500 . 3.000 3.002 3.000 3.004 0.004 5 0 "[ . 1]" 1
147 1 24 GLN H 1 24 GLN HA 2.500 . 3.000 2.899 2.885 2.907 . 0 0 "[ . 1]" 1
148 1 24 GLN H 1 24 GLN QB 2.500 . 3.000 2.338 2.130 2.625 . 0 0 "[ . 1]" 1
149 1 24 GLN H 1 24 GLN QG 3.000 . 4.000 3.160 1.953 4.038 0.038 9 0 "[ . 1]" 1
150 1 24 GLN H 1 25 TRP HA 4.000 . 5.000 5.049 5.027 5.081 0.081 3 0 "[ . 1]" 1
151 1 24 GLN H 1 25 TRP QB 4.000 . 5.000 4.140 4.094 4.204 . 0 0 "[ . 1]" 1
152 1 24 GLN HA 1 24 GLN QB 2.500 . 3.000 2.283 2.190 2.524 . 0 0 "[ . 1]" 1
153 1 24 GLN HA 1 24 GLN QG 3.000 . 4.000 2.879 2.263 3.417 . 0 0 "[ . 1]" 1
154 1 24 GLN HA 1 25 TRP H 4.000 . 5.000 3.456 3.410 3.509 . 0 0 "[ . 1]" 1
155 1 24 GLN HA 1 27 MET H 3.000 . 4.000 4.142 4.121 4.173 0.173 3 0 "[ . 1]" 1
156 1 24 GLN QB 1 25 TRP H 3.000 . 4.000 3.307 2.964 3.742 . 0 0 "[ . 1]" 1
157 1 24 GLN QE 1 26 LEU QB 4.000 . 5.000 5.119 5.046 5.135 0.135 5 0 "[ . 1]" 1
158 1 25 TRP H 1 25 TRP HA 2.500 . 3.000 2.966 2.957 2.975 . 0 0 "[ . 1]" 1
159 1 25 TRP H 1 25 TRP QB 2.500 . 3.000 2.265 2.223 2.304 . 0 0 "[ . 1]" 1
160 1 25 TRP H 1 25 TRP HE3 4.000 . 5.000 2.912 2.899 2.926 . 0 0 "[ . 1]" 1
161 1 25 TRP H 1 25 TRP HZ3 4.000 . 5.000 5.160 5.156 5.167 0.167 3 0 "[ . 1]" 1
162 1 25 TRP H 1 26 LEU H 2.500 . 3.000 1.997 1.940 2.077 . 0 0 "[ . 1]" 1
163 1 25 TRP HA 1 25 TRP QB 2.500 . 3.000 2.176 2.171 2.181 . 0 0 "[ . 1]" 1
164 1 25 TRP HA 1 25 TRP HD1 2.500 . 3.000 3.406 3.389 3.424 0.424 10 0 "[ . 1]" 1
165 1 25 TRP HA 1 25 TRP HE3 2.500 . 5.300 4.593 4.579 4.603 . 0 0 "[ . 1]" 1
166 1 25 TRP HA 1 26 LEU H 3.000 . 4.000 3.514 3.510 3.524 . 0 0 "[ . 1]" 1
167 1 25 TRP HA 1 28 ASN QB 3.000 . 4.000 2.469 2.090 3.904 . 0 0 "[ . 1]" 1
168 1 25 TRP HA 1 29 THR MG 4.000 . 5.000 4.563 3.984 4.998 . 0 0 "[ . 1]" 1
169 1 25 TRP QB 1 25 TRP HD1 2.500 . 3.000 2.571 2.562 2.581 . 0 0 "[ . 1]" 1
170 1 25 TRP QB 1 25 TRP HE3 2.500 . 4.000 2.543 2.527 2.557 . 0 0 "[ . 1]" 1
171 1 25 TRP QB 1 25 TRP HZ3 3.000 . 5.000 4.790 4.775 4.801 . 0 0 "[ . 1]" 1
172 1 25 TRP QB 1 26 LEU H 3.000 . 4.000 2.896 2.864 2.930 . 0 0 "[ . 1]" 1
173 1 25 TRP HE3 1 26 LEU H 3.000 . 4.000 2.038 1.966 2.061 . 0 0 "[ . 1]" 1
174 1 25 TRP HE3 1 26 LEU HA 2.500 . 3.000 3.410 3.385 3.419 0.419 9 0 "[ . 1]" 1
175 1 25 TRP HE3 1 26 LEU QB 3.000 . 4.000 2.665 2.647 2.685 . 0 0 "[ . 1]" 1
176 1 25 TRP HE3 1 26 LEU QD 3.000 . 4.000 3.658 3.650 3.671 . 0 0 "[ . 1]" 1
177 1 25 TRP HH2 1 25 TRP HZ3 2.500 . 3.000 2.486 2.485 2.487 . 0 0 "[ . 1]" 1
178 1 25 TRP HZ2 1 26 LEU QD 2.500 . 3.000 3.153 3.134 3.162 0.162 8 0 "[ . 1]" 1
179 1 25 TRP HZ3 1 26 LEU H 4.000 . 5.000 3.771 3.705 3.796 . 0 0 "[ . 1]" 1
180 1 25 TRP HZ3 1 26 LEU HA 4.000 . 5.000 3.700 3.649 3.715 . 0 0 "[ . 1]" 1
181 1 25 TRP HZ3 1 26 LEU QB 4.000 . 5.000 2.414 2.408 2.427 . 0 0 "[ . 1]" 1
182 1 25 TRP HZ3 1 26 LEU QD 2.500 . 3.000 2.276 2.270 2.288 . 0 0 "[ . 1]" 1
183 1 26 LEU H 1 26 LEU HA 2.500 . 3.000 2.737 2.718 2.745 . 0 0 "[ . 1]" 1
184 1 26 LEU H 1 26 LEU QB 2.500 . 3.000 2.244 2.239 2.250 . 0 0 "[ . 1]" 1
185 1 26 LEU H 1 26 LEU QD 3.000 . 4.000 3.663 3.651 3.668 . 0 0 "[ . 1]" 1
186 1 26 LEU H 1 27 MET H 2.500 . 3.000 2.776 2.749 2.827 . 0 0 "[ . 1]" 1
187 1 26 LEU HA 1 26 LEU QB 2.500 . 3.000 2.395 2.393 2.397 . 0 0 "[ . 1]" 1
188 1 26 LEU HA 1 26 LEU QD 2.500 . 3.000 2.216 2.209 2.220 . 0 0 "[ . 1]" 1
189 1 26 LEU HA 1 27 MET H 3.000 . 4.000 3.523 3.512 3.536 . 0 0 "[ . 1]" 1
190 1 26 LEU HA 1 29 THR MG 4.000 . 5.000 4.100 2.978 5.002 0.002 8 0 "[ . 1]" 1
191 1 26 LEU QB 1 26 LEU QD 2.500 . 3.000 1.902 1.900 1.903 . 0 0 "[ . 1]" 1
192 1 26 LEU QB 1 27 MET H 3.000 . 4.000 2.665 2.578 2.738 . 0 0 "[ . 1]" 1
193 1 26 LEU QD 1 27 MET QB 3.000 . 4.000 4.009 4.002 4.027 0.027 8 0 "[ . 1]" 1
194 1 27 MET H 1 27 MET HA 2.500 . 3.000 2.935 2.925 2.945 . 0 0 "[ . 1]" 1
195 1 27 MET H 1 27 MET QB 2.500 . 3.000 2.638 2.626 2.656 . 0 0 "[ . 1]" 1
196 1 27 MET H 1 27 MET QG 2.500 . 3.000 2.064 2.029 2.081 . 0 0 "[ . 1]" 1
197 1 27 MET H 1 28 ASN H 4.000 . 5.000 2.822 2.387 4.275 . 0 0 "[ . 1]" 1
198 1 27 MET HA 1 27 MET QB 2.500 . 3.000 2.188 2.186 2.189 . 0 0 "[ . 1]" 1
199 1 27 MET HA 1 27 MET QG 2.500 . 4.000 3.359 3.348 3.369 . 0 0 "[ . 1]" 1
200 1 27 MET HA 1 28 ASN H 4.000 . 5.000 3.136 2.870 3.252 . 0 0 "[ . 1]" 1
201 1 27 MET QB 1 28 ASN H 4.000 . 5.000 3.511 1.818 3.956 . 0 0 "[ . 1]" 1
202 1 27 MET QG 1 28 ASN H 2.500 . 3.000 2.972 2.842 3.023 0.023 3 0 "[ . 1]" 1
203 1 28 ASN H 1 28 ASN HA 3.000 . 4.000 2.808 2.297 2.944 . 0 0 "[ . 1]" 1
204 1 28 ASN H 1 28 ASN QB 3.000 . 4.000 2.470 2.299 2.940 . 0 0 "[ . 1]" 1
205 1 28 ASN HA 1 28 ASN QB 2.500 . 3.000 2.401 2.334 2.504 . 0 0 "[ . 1]" 1
206 1 28 ASN QB 1 29 THR MG 3.000 . 4.000 3.188 2.322 3.897 . 0 0 "[ . 1]" 1
207 1 29 THR HA 1 29 THR HB 2.500 . 3.000 2.450 2.238 2.596 . 0 0 "[ . 1]" 1
208 1 29 THR HA 1 29 THR MG 2.500 . 3.000 2.467 2.248 3.002 0.002 9 0 "[ . 1]" 1
stop_
save_
Contact the webmaster for help, if required. Wednesday, May 22, 2024 6:03:08 AM GMT (wattos1)