NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
385321 |
1kz5   |
5291 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1kz5
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 181
_Distance_constraint_stats_list.Viol_count 852
_Distance_constraint_stats_list.Viol_total 1131.767
_Distance_constraint_stats_list.Viol_max 0.328
_Distance_constraint_stats_list.Viol_rms 0.0554
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0244
_Distance_constraint_stats_list.Viol_average_violations_only 0.0830
_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 ARG 4.551 0.326 10 0 "[ . 1 . ]"
1 2 GLN 2.246 0.078 3 0 "[ . 1 . ]"
1 3 ILE 11.189 0.270 13 0 "[ . 1 . ]"
1 4 LYS 9.634 0.278 5 0 "[ . 1 . ]"
1 5 ILE 3.837 0.116 13 0 "[ . 1 . ]"
1 6 TRP 16.472 0.328 8 0 "[ . 1 . ]"
1 7 PHE 10.274 0.328 8 0 "[ . 1 . ]"
1 8 ARG 13.803 0.231 5 0 "[ . 1 . ]"
1 9 LYS 1.123 0.050 9 0 "[ . 1 . ]"
1 10 TRP 8.132 0.193 7 0 "[ . 1 . ]"
1 11 LYS 10.313 0.246 7 0 "[ . 1 . ]"
1 12 LYS 6.922 0.246 7 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 1 ARG HA 1 2 GLN H 1.800 . 5.000 2.756 2.212 3.594 . 0 0 "[ . 1 . ]" 1
2 1 1 ARG HB2 1 1 ARG HD3 1.800 . 3.500 3.014 2.600 3.509 0.009 13 0 "[ . 1 . ]" 1
3 1 1 ARG HB2 1 1 ARG HE 1.800 . 5.000 3.153 2.150 4.455 . 0 0 "[ . 1 . ]" 1
4 1 1 ARG HB3 1 1 ARG HD3 1.800 . 3.500 2.988 1.996 3.697 0.197 14 0 "[ . 1 . ]" 1
5 1 1 ARG HB3 1 1 ARG HE 1.800 . 5.000 3.470 1.929 4.565 . 0 0 "[ . 1 . ]" 1
6 1 1 ARG HB3 1 1 ARG HG3 1.800 . 2.500 2.597 2.496 2.826 0.326 10 0 "[ . 1 . ]" 1
7 1 1 ARG HD3 1 1 ARG HG3 1.800 . 2.500 2.603 2.471 2.813 0.313 14 0 "[ . 1 . ]" 1
8 1 1 ARG HE 1 1 ARG HG3 1.800 . 3.500 3.441 2.407 3.606 0.106 10 0 "[ . 1 . ]" 1
9 1 2 GLN H 1 2 GLN HB2 1.800 . 3.500 2.237 1.978 2.545 . 0 0 "[ . 1 . ]" 1
10 1 2 GLN H 1 2 GLN HB3 1.800 . 3.500 3.230 2.821 3.494 . 0 0 "[ . 1 . ]" 1
11 1 2 GLN H 1 2 GLN HG2 1.800 . 5.000 4.445 3.820 4.842 . 0 0 "[ . 1 . ]" 1
12 1 2 GLN H 1 2 GLN HG3 1.800 . 5.000 4.331 3.661 4.638 . 0 0 "[ . 1 . ]" 1
13 1 2 GLN H 1 3 ILE H 1.800 . 5.000 2.358 2.015 2.724 . 0 0 "[ . 1 . ]" 1
14 1 2 GLN HA 1 2 GLN HE21 1.800 . 5.000 2.890 2.372 3.286 . 0 0 "[ . 1 . ]" 1
15 1 2 GLN HA 1 2 GLN HG2 1.800 . 3.500 3.531 3.513 3.564 0.064 12 0 "[ . 1 . ]" 1
16 1 2 GLN HA 1 2 GLN HG3 1.800 . 3.500 2.351 2.229 2.599 . 0 0 "[ . 1 . ]" 1
17 1 2 GLN HA 1 3 ILE H 1.800 . 3.500 3.558 3.539 3.576 0.076 13 0 "[ . 1 . ]" 1
18 1 2 GLN HA 1 3 ILE MG 1.800 . 5.000 4.014 3.981 4.044 . 0 0 "[ . 1 . ]" 1
19 1 2 GLN HA 1 4 LYS H 1.800 . 5.000 4.372 4.251 4.582 . 0 0 "[ . 1 . ]" 1
20 1 2 GLN HB2 1 3 ILE H 1.800 . 3.500 2.978 2.586 3.465 . 0 0 "[ . 1 . ]" 1
21 1 2 GLN HB3 1 2 GLN HG2 1.800 . 2.500 2.419 2.377 2.442 . 0 0 "[ . 1 . ]" 1
22 1 2 GLN HB3 1 2 GLN HG3 1.800 . 2.500 2.512 2.480 2.550 0.050 11 0 "[ . 1 . ]" 1
23 1 2 GLN HB3 1 3 ILE H 1.800 . 3.500 2.796 2.155 3.276 . 0 0 "[ . 1 . ]" 1
24 1 2 GLN HE21 1 2 GLN HG3 1.800 . 3.500 2.248 2.241 2.274 . 0 0 "[ . 1 . ]" 1
25 1 2 GLN HE22 1 2 GLN HG3 1.800 . 3.500 3.514 3.512 3.522 0.022 15 0 "[ . 1 . ]" 1
26 1 2 GLN HG2 1 3 ILE H 1.800 . 5.000 4.947 4.562 5.078 0.078 3 0 "[ . 1 . ]" 1
27 1 2 GLN HG3 1 3 ILE H 1.800 . 5.000 4.703 4.191 4.955 . 0 0 "[ . 1 . ]" 1
28 1 3 ILE H 1 3 ILE HA 1.800 . 2.500 2.335 2.325 2.344 . 0 0 "[ . 1 . ]" 1
29 1 3 ILE H 1 3 ILE HB 1.800 . 2.500 2.587 2.560 2.611 0.111 2 0 "[ . 1 . ]" 1
30 1 3 ILE H 1 3 ILE MD 1.800 . 5.000 4.147 4.134 4.169 . 0 0 "[ . 1 . ]" 1
31 1 3 ILE H 1 3 ILE HG12 1.800 . 3.500 3.748 3.735 3.770 0.270 13 0 "[ . 1 . ]" 1
32 1 3 ILE H 1 3 ILE HG13 1.800 . 5.000 4.719 4.705 4.733 . 0 0 "[ . 1 . ]" 1
33 1 3 ILE HA 1 3 ILE HB 1.800 . 2.500 2.625 2.617 2.630 0.130 3 0 "[ . 1 . ]" 1
34 1 3 ILE HA 1 3 ILE MD 1.800 . 5.000 2.229 2.202 2.269 . 0 0 "[ . 1 . ]" 1
35 1 3 ILE HA 1 3 ILE HG12 1.800 . 3.500 2.208 2.194 2.222 . 0 0 "[ . 1 . ]" 1
36 1 3 ILE HA 1 3 ILE HG13 1.800 . 3.500 3.492 3.484 3.503 0.003 13 0 "[ . 1 . ]" 1
37 1 3 ILE HA 1 4 LYS H 1.800 . 3.500 2.891 2.832 2.935 . 0 0 "[ . 1 . ]" 1
38 1 3 ILE HA 1 6 TRP HB2 1.800 . 3.500 2.212 2.179 2.253 . 0 0 "[ . 1 . ]" 1
39 1 3 ILE HA 1 6 TRP HB3 1.800 . 3.500 3.599 3.584 3.622 0.122 5 0 "[ . 1 . ]" 1
40 1 3 ILE HA 1 6 TRP HD1 1.800 . 5.000 5.034 5.012 5.072 0.072 7 0 "[ . 1 . ]" 1
41 1 3 ILE HA 1 6 TRP HE3 1.800 . 3.500 2.647 2.478 2.739 . 0 0 "[ . 1 . ]" 1
42 1 3 ILE HA 1 7 PHE H 1.800 . 5.000 3.449 3.379 3.539 . 0 0 "[ . 1 . ]" 1
43 1 3 ILE MD 1 4 LYS H 1.800 . 5.000 3.822 3.744 3.875 . 0 0 "[ . 1 . ]" 1
44 1 3 ILE MD 1 4 LYS HA 1.800 . 5.000 3.633 3.591 3.660 . 0 0 "[ . 1 . ]" 1
45 1 3 ILE MD 1 4 LYS HG2 1.800 . 5.000 4.188 4.173 4.212 . 0 0 "[ . 1 . ]" 1
46 1 3 ILE MD 1 6 TRP HE3 1.800 . 5.000 3.888 3.840 3.908 . 0 0 "[ . 1 . ]" 1
47 1 3 ILE MD 1 7 PHE QD 1.800 . 5.000 3.310 2.896 3.734 . 0 0 "[ . 1 . ]" 1
48 1 3 ILE HG12 1 4 LYS H 1.800 . 5.000 5.024 4.988 5.045 0.045 9 0 "[ . 1 . ]" 1
49 1 4 LYS H 1 4 LYS HB3 1.800 . 3.500 3.638 3.625 3.649 0.149 1 0 "[ . 1 . ]" 1
50 1 4 LYS H 1 4 LYS HD3 1.800 . 5.000 5.034 5.001 5.084 0.084 15 0 "[ . 1 . ]" 1
51 1 4 LYS H 1 4 LYS HG2 1.800 . 3.500 3.136 2.981 3.224 . 0 0 "[ . 1 . ]" 1
52 1 4 LYS H 1 4 LYS HG3 1.800 . 3.500 3.084 2.817 3.208 . 0 0 "[ . 1 . ]" 1
53 1 4 LYS H 1 5 ILE H 1.800 . 2.500 2.078 2.024 2.154 . 0 0 "[ . 1 . ]" 1
54 1 4 LYS H 1 5 ILE HB 1.800 . 5.000 4.169 4.052 4.271 . 0 0 "[ . 1 . ]" 1
55 1 4 LYS H 1 6 TRP H 1.800 . 3.500 2.889 2.841 2.979 . 0 0 "[ . 1 . ]" 1
56 1 4 LYS HA 1 4 LYS HB3 1.800 . 2.500 2.480 2.434 2.506 0.006 5 0 "[ . 1 . ]" 1
57 1 4 LYS HA 1 4 LYS HD3 1.800 . 5.000 3.582 3.257 4.243 . 0 0 "[ . 1 . ]" 1
58 1 4 LYS HA 1 4 LYS HG2 1.800 . 3.500 2.240 2.196 2.308 . 0 0 "[ . 1 . ]" 1
59 1 4 LYS HA 1 4 LYS HG3 1.800 . 3.500 3.514 3.489 3.544 0.044 15 0 "[ . 1 . ]" 1
60 1 4 LYS HA 1 5 ILE H 1.800 . 3.500 3.561 3.554 3.566 0.066 14 0 "[ . 1 . ]" 1
61 1 4 LYS HA 1 7 PHE HB2 1.800 . 3.500 3.549 3.526 3.573 0.073 9 0 "[ . 1 . ]" 1
62 1 4 LYS HB3 1 4 LYS HE3 1.800 . 5.000 3.935 2.938 4.400 . 0 0 "[ . 1 . ]" 1
63 1 4 LYS HB3 1 4 LYS HG2 1.800 . 2.500 2.765 2.732 2.778 0.278 5 0 "[ . 1 . ]" 1
64 1 4 LYS HB3 1 5 ILE H 1.800 . 3.500 3.511 3.482 3.538 0.038 2 0 "[ . 1 . ]" 1
65 1 4 LYS HE3 1 4 LYS HG2 1.800 . 3.500 2.584 2.023 3.500 0.000 2 0 "[ . 1 . ]" 1
66 1 4 LYS HE3 1 4 LYS HG3 1.800 . 3.500 2.809 1.992 3.512 0.012 10 0 "[ . 1 . ]" 1
67 1 4 LYS HG3 1 5 ILE H 1.800 . 5.000 4.299 4.085 4.415 . 0 0 "[ . 1 . ]" 1
68 1 5 ILE H 1 5 ILE HB 1.800 . 2.500 2.501 2.427 2.547 0.047 5 0 "[ . 1 . ]" 1
69 1 5 ILE H 1 5 ILE MD 1.800 . 5.000 2.727 2.517 3.082 . 0 0 "[ . 1 . ]" 1
70 1 5 ILE H 1 5 ILE HG12 1.800 . 3.500 2.547 1.967 3.508 0.008 6 0 "[ . 1 . ]" 1
71 1 5 ILE H 1 5 ILE HG13 1.800 . 3.500 2.939 1.990 3.505 0.005 8 0 "[ . 1 . ]" 1
72 1 5 ILE H 1 6 TRP H 1.800 . 2.500 2.327 2.310 2.357 . 0 0 "[ . 1 . ]" 1
73 1 5 ILE H 1 6 TRP HA 1.800 . 5.000 5.047 5.025 5.069 0.069 7 0 "[ . 1 . ]" 1
74 1 5 ILE H 1 7 PHE H 1.800 . 5.000 4.228 4.149 4.303 . 0 0 "[ . 1 . ]" 1
75 1 5 ILE HA 1 5 ILE MD 1.800 . 5.000 2.714 1.944 3.910 . 0 0 "[ . 1 . ]" 1
76 1 5 ILE HB 1 5 ILE HG13 1.800 . 2.500 2.589 2.571 2.616 0.116 13 0 "[ . 1 . ]" 1
77 1 5 ILE HB 1 5 ILE MG 1.800 . 2.500 2.138 2.113 2.148 . 0 0 "[ . 1 . ]" 1
78 1 5 ILE HB 1 6 TRP H 1.800 . 3.500 2.883 2.541 3.103 . 0 0 "[ . 1 . ]" 1
79 1 5 ILE MD 1 6 TRP H 1.800 . 5.000 4.115 4.056 4.156 . 0 0 "[ . 1 . ]" 1
80 1 6 TRP H 1 6 TRP HB2 1.800 . 3.500 2.224 2.186 2.273 . 0 0 "[ . 1 . ]" 1
81 1 6 TRP H 1 6 TRP HB3 1.800 . 3.500 3.493 3.485 3.502 0.002 9 0 "[ . 1 . ]" 1
82 1 6 TRP H 1 6 TRP HD1 1.800 . 5.000 4.753 4.593 4.860 . 0 0 "[ . 1 . ]" 1
83 1 6 TRP H 1 6 TRP HE3 1.800 . 3.500 1.798 1.782 1.853 0.018 15 0 "[ . 1 . ]" 1
84 1 6 TRP H 1 8 ARG HB2 1.800 . 5.000 4.668 4.565 4.793 . 0 0 "[ . 1 . ]" 1
85 1 6 TRP HA 1 6 TRP HD1 1.800 . 3.500 3.190 3.117 3.245 . 0 0 "[ . 1 . ]" 1
86 1 6 TRP HA 1 6 TRP HE3 1.800 . 5.000 4.257 4.186 4.370 . 0 0 "[ . 1 . ]" 1
87 1 6 TRP HA 1 7 PHE H 1.800 . 3.500 3.487 3.485 3.490 . 0 0 "[ . 1 . ]" 1
88 1 6 TRP HA 1 8 ARG H 1.800 . 3.500 3.715 3.703 3.726 0.226 5 0 "[ . 1 . ]" 1
89 1 6 TRP HA 1 9 LYS H 1.800 . 3.500 3.310 3.107 3.535 0.035 7 0 "[ . 1 . ]" 1
90 1 6 TRP HA 1 9 LYS HB2 1.800 . 3.500 2.642 2.381 2.925 . 0 0 "[ . 1 . ]" 1
91 1 6 TRP HA 1 9 LYS HB3 1.800 . 5.000 4.209 3.929 4.513 . 0 0 "[ . 1 . ]" 1
92 1 6 TRP HA 1 10 TRP HD1 1.800 . 5.000 4.921 4.200 5.046 0.046 3 0 "[ . 1 . ]" 1
93 1 6 TRP HB2 1 6 TRP HD1 1.800 . 3.500 3.678 3.668 3.696 0.196 3 0 "[ . 1 . ]" 1
94 1 6 TRP HB2 1 6 TRP HE3 1.800 . 3.500 2.673 2.630 2.697 . 0 0 "[ . 1 . ]" 1
95 1 6 TRP HB2 1 7 PHE H 1.800 . 3.500 2.016 1.985 2.053 . 0 0 "[ . 1 . ]" 1
96 1 6 TRP HB3 1 6 TRP HD1 1.800 . 3.500 2.503 2.493 2.527 . 0 0 "[ . 1 . ]" 1
97 1 6 TRP HB3 1 7 PHE H 1.800 . 3.500 3.014 2.967 3.057 . 0 0 "[ . 1 . ]" 1
98 1 6 TRP HD1 1 7 PHE H 1.800 . 5.000 5.298 5.270 5.328 0.328 8 0 "[ . 1 . ]" 1
99 1 6 TRP HE3 1 7 PHE H 1.800 . 3.500 3.641 3.606 3.684 0.184 3 0 "[ . 1 . ]" 1
100 1 7 PHE H 1 7 PHE HB2 1.800 . 2.500 2.489 2.424 2.554 0.054 4 0 "[ . 1 . ]" 1
101 1 7 PHE H 1 7 PHE HB3 1.800 . 2.500 2.381 2.283 2.453 . 0 0 "[ . 1 . ]" 1
102 1 7 PHE H 1 7 PHE QD 1.800 . 5.000 4.130 4.110 4.143 . 0 0 "[ . 1 . ]" 1
103 1 7 PHE H 1 8 ARG H 1.800 . 3.500 2.724 2.707 2.739 . 0 0 "[ . 1 . ]" 1
104 1 7 PHE H 1 8 ARG HB2 1.800 . 5.000 4.476 4.444 4.510 . 0 0 "[ . 1 . ]" 1
105 1 7 PHE H 1 8 ARG HB3 1.800 . 5.000 5.144 5.132 5.159 0.159 8 0 "[ . 1 . ]" 1
106 1 7 PHE H 1 9 LYS H 1.800 . 5.000 4.180 4.127 4.249 . 0 0 "[ . 1 . ]" 1
107 1 7 PHE HA 1 7 PHE HB2 1.800 . 2.500 2.438 2.399 2.469 . 0 0 "[ . 1 . ]" 1
108 1 7 PHE HA 1 8 ARG H 1.800 . 3.500 3.462 3.456 3.468 . 0 0 "[ . 1 . ]" 1
109 1 7 PHE HA 1 9 LYS H 1.800 . 5.000 3.992 3.815 4.211 . 0 0 "[ . 1 . ]" 1
110 1 7 PHE QD 1 8 ARG H 1.800 . 5.000 3.884 3.501 4.338 . 0 0 "[ . 1 . ]" 1
111 1 7 PHE QD 1 8 ARG HB2 1.800 . 5.000 3.818 3.371 4.587 . 0 0 "[ . 1 . ]" 1
112 1 8 ARG H 1 8 ARG HB2 1.800 . 2.500 2.188 2.146 2.222 . 0 0 "[ . 1 . ]" 1
113 1 8 ARG H 1 8 ARG HB3 1.800 . 2.500 2.605 2.595 2.621 0.121 12 0 "[ . 1 . ]" 1
114 1 8 ARG H 1 8 ARG HD2 1.800 . 5.000 5.019 5.007 5.042 0.042 2 0 "[ . 1 . ]" 1
115 1 8 ARG H 1 8 ARG HD3 1.800 . 3.500 3.706 3.686 3.731 0.231 5 0 "[ . 1 . ]" 1
116 1 8 ARG HA 1 8 ARG HB2 1.800 . 2.500 2.611 2.599 2.621 0.121 12 0 "[ . 1 . ]" 1
117 1 8 ARG HA 1 8 ARG HD2 1.800 . 3.500 2.578 2.534 2.646 . 0 0 "[ . 1 . ]" 1
118 1 8 ARG HA 1 8 ARG HD3 1.800 . 3.500 2.135 2.114 2.179 . 0 0 "[ . 1 . ]" 1
119 1 8 ARG HA 1 8 ARG HE 1.800 . 5.000 4.473 4.418 4.549 . 0 0 "[ . 1 . ]" 1
120 1 8 ARG HB2 1 8 ARG HD2 1.800 . 3.500 3.522 3.510 3.529 0.029 3 0 "[ . 1 . ]" 1
121 1 8 ARG HB2 1 8 ARG HD3 1.800 . 2.500 2.215 2.194 2.226 . 0 0 "[ . 1 . ]" 1
122 1 8 ARG HB2 1 8 ARG HE 1.800 . 3.500 3.331 3.162 3.523 0.023 2 0 "[ . 1 . ]" 1
123 1 8 ARG HB2 1 9 LYS H 1.800 . 5.000 3.928 3.787 4.075 . 0 0 "[ . 1 . ]" 1
124 1 8 ARG HB3 1 8 ARG HD3 1.800 . 3.500 3.454 3.447 3.461 . 0 0 "[ . 1 . ]" 1
125 1 8 ARG HB3 1 8 ARG HE 1.800 . 5.000 4.122 4.050 4.179 . 0 0 "[ . 1 . ]" 1
126 1 8 ARG HB3 1 8 ARG HG3 1.800 . 2.500 2.536 2.531 2.549 0.049 7 0 "[ . 1 . ]" 1
127 1 8 ARG HB3 1 9 LYS H 1.800 . 3.500 3.249 3.022 3.516 0.016 11 0 "[ . 1 . ]" 1
128 1 8 ARG HD2 1 8 ARG HG3 1.800 . 2.500 2.263 2.261 2.265 . 0 0 "[ . 1 . ]" 1
129 1 8 ARG HE 1 8 ARG HG3 1.800 . 3.500 3.324 3.188 3.509 0.009 8 0 "[ . 1 . ]" 1
130 1 9 LYS H 1 9 LYS HB2 1.800 . 3.500 2.149 2.006 2.290 . 0 0 "[ . 1 . ]" 1
131 1 9 LYS H 1 9 LYS HB3 1.800 . 3.500 3.456 3.348 3.536 0.036 9 0 "[ . 1 . ]" 1
132 1 9 LYS H 1 9 LYS HD3 1.800 . 5.000 4.483 4.174 4.672 . 0 0 "[ . 1 . ]" 1
133 1 9 LYS H 1 9 LYS HG2 1.800 . 3.500 3.122 2.659 3.480 . 0 0 "[ . 1 . ]" 1
134 1 9 LYS H 1 9 LYS HG3 1.800 . 5.000 4.011 3.748 4.285 . 0 0 "[ . 1 . ]" 1
135 1 9 LYS H 1 10 TRP HB2 1.800 . 5.000 4.983 4.800 5.050 0.050 9 0 "[ . 1 . ]" 1
136 1 9 LYS HA 1 9 LYS HD3 1.800 . 3.500 1.961 1.938 2.007 . 0 0 "[ . 1 . ]" 1
137 1 9 LYS HA 1 9 LYS HG2 1.800 . 3.500 2.560 2.424 2.757 . 0 0 "[ . 1 . ]" 1
138 1 9 LYS HB2 1 9 LYS HG2 1.800 . 2.500 2.534 2.507 2.546 0.046 5 0 "[ . 1 . ]" 1
139 1 9 LYS HB2 1 10 TRP H 1.800 . 3.500 2.337 2.038 2.575 . 0 0 "[ . 1 . ]" 1
140 1 9 LYS HB2 1 10 TRP HD1 1.800 . 5.000 4.564 4.345 4.774 . 0 0 "[ . 1 . ]" 1
141 1 9 LYS HB3 1 10 TRP H 1.800 . 3.500 2.583 2.303 2.874 . 0 0 "[ . 1 . ]" 1
142 1 9 LYS HD3 1 9 LYS HG2 1.800 . 2.500 2.460 2.368 2.519 0.019 13 0 "[ . 1 . ]" 1
143 1 9 LYS HD3 1 10 TRP H 1.800 . 5.000 4.919 4.741 5.016 0.016 2 0 "[ . 1 . ]" 1
144 1 9 LYS HE3 1 9 LYS HG2 1.800 . 3.500 2.954 2.263 3.452 . 0 0 "[ . 1 . ]" 1
145 1 9 LYS HE3 1 9 LYS HG3 1.800 . 3.500 2.618 2.275 2.972 . 0 0 "[ . 1 . ]" 1
146 1 9 LYS HG2 1 10 TRP H 1.800 . 5.000 4.525 4.314 4.683 . 0 0 "[ . 1 . ]" 1
147 1 9 LYS HG3 1 10 TRP H 1.800 . 5.000 4.563 4.382 4.838 . 0 0 "[ . 1 . ]" 1
148 1 10 TRP H 1 10 TRP HB2 1.800 . 2.500 2.554 2.523 2.693 0.193 7 0 "[ . 1 . ]" 1
149 1 10 TRP H 1 10 TRP HB3 1.800 . 3.500 3.539 3.532 3.550 0.050 7 0 "[ . 1 . ]" 1
150 1 10 TRP H 1 10 TRP HD1 1.800 . 3.500 3.537 3.410 3.576 0.076 9 0 "[ . 1 . ]" 1
151 1 10 TRP H 1 10 TRP HE3 1.800 . 3.500 3.549 3.537 3.568 0.068 9 0 "[ . 1 . ]" 1
152 1 10 TRP H 1 11 LYS H 1.800 . 3.500 3.588 2.939 3.669 0.169 11 0 "[ . 1 . ]" 1
153 1 10 TRP H 1 12 LYS H 1.800 . 5.000 4.149 3.975 4.805 . 0 0 "[ . 1 . ]" 1
154 1 10 TRP HA 1 10 TRP HD1 1.800 . 5.000 4.827 4.813 4.858 . 0 0 "[ . 1 . ]" 1
155 1 10 TRP HA 1 10 TRP HE3 1.800 . 3.500 1.931 1.863 2.122 . 0 0 "[ . 1 . ]" 1
156 1 10 TRP HA 1 11 LYS H 1.800 . 3.500 3.361 3.292 3.549 0.049 7 0 "[ . 1 . ]" 1
157 1 10 TRP HB2 1 10 TRP HD1 1.800 . 3.500 2.546 2.526 2.568 . 0 0 "[ . 1 . ]" 1
158 1 10 TRP HB2 1 11 LYS H 1.800 . 3.500 1.719 1.673 1.767 0.127 7 0 "[ . 1 . ]" 1
159 1 10 TRP HB3 1 10 TRP HD1 1.800 . 3.500 3.336 3.322 3.429 . 0 0 "[ . 1 . ]" 1
160 1 10 TRP HB3 1 10 TRP HE3 1.800 . 3.500 3.364 3.234 3.385 . 0 0 "[ . 1 . ]" 1
161 1 10 TRP HB3 1 11 LYS H 1.800 . 3.500 2.424 2.308 3.132 . 0 0 "[ . 1 . ]" 1
162 1 10 TRP HD1 1 11 LYS H 1.800 . 5.000 4.124 3.711 4.219 . 0 0 "[ . 1 . ]" 1
163 1 10 TRP HD1 1 12 LYS HA 1.800 . 5.000 5.087 5.035 5.138 0.138 15 0 "[ . 1 . ]" 1
164 1 10 TRP HH2 1 10 TRP HZ3 1.800 . 2.500 2.481 2.480 2.482 . 0 0 "[ . 1 . ]" 1
165 1 11 LYS H 1 11 LYS HB3 1.800 . 3.500 3.508 3.353 3.664 0.164 7 0 "[ . 1 . ]" 1
166 1 11 LYS H 1 11 LYS HD3 1.800 . 3.500 2.946 2.396 3.518 0.018 7 0 "[ . 1 . ]" 1
167 1 11 LYS H 1 11 LYS HG2 1.800 . 3.500 2.418 2.199 3.093 . 0 0 "[ . 1 . ]" 1
168 1 11 LYS H 1 12 LYS H 1.800 . 3.500 2.001 1.870 2.209 . 0 0 "[ . 1 . ]" 1
169 1 11 LYS H 1 12 LYS HA 1.800 . 3.500 3.698 3.677 3.746 0.246 7 0 "[ . 1 . ]" 1
170 1 11 LYS HA 1 11 LYS HB3 1.800 . 2.500 2.415 2.337 2.516 0.016 5 0 "[ . 1 . ]" 1
171 1 11 LYS HA 1 11 LYS HD3 1.800 . 3.500 3.656 3.620 3.695 0.195 8 0 "[ . 1 . ]" 1
172 1 11 LYS HA 1 11 LYS HE3 1.800 . 5.000 4.854 4.444 5.043 0.043 7 0 "[ . 1 . ]" 1
173 1 11 LYS HA 1 11 LYS HG2 1.800 . 3.500 3.549 3.528 3.581 0.081 5 0 "[ . 1 . ]" 1
174 1 11 LYS HB3 1 11 LYS HD3 1.800 . 2.500 2.107 2.036 2.190 . 0 0 "[ . 1 . ]" 1
175 1 12 LYS H 1 12 LYS HB3 1.800 . 3.500 3.340 2.223 3.716 0.216 12 0 "[ . 1 . ]" 1
176 1 12 LYS H 1 12 LYS HD3 1.800 . 3.500 3.367 2.301 3.611 0.111 15 0 "[ . 1 . ]" 1
177 1 12 LYS H 1 12 LYS HG3 1.800 . 3.500 3.075 2.147 3.578 0.078 11 0 "[ . 1 . ]" 1
178 1 12 LYS HA 1 12 LYS HB3 1.800 . 2.500 2.470 2.275 2.710 0.210 3 0 "[ . 1 . ]" 1
179 1 12 LYS HA 1 12 LYS HD3 1.800 . 3.500 2.930 1.791 3.646 0.146 7 0 "[ . 1 . ]" 1
180 1 12 LYS HB3 1 12 LYS HE3 1.800 . 5.500 3.991 1.983 5.103 . 0 0 "[ . 1 . ]" 1
181 1 12 LYS HE3 1 12 LYS HG3 1.800 . 3.500 2.850 2.003 3.508 0.008 9 0 "[ . 1 . ]" 1
stop_
save_
Contact the webmaster for help, if required. Monday, April 29, 2024 4:03:39 AM GMT (wattos1)