NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
394930 |
1rkk   |
6020 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1rkk
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 140
_Distance_constraint_stats_list.Viol_count 391
_Distance_constraint_stats_list.Viol_total 2867.234
_Distance_constraint_stats_list.Viol_max 7.263
_Distance_constraint_stats_list.Viol_rms 0.5519
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0709
_Distance_constraint_stats_list.Viol_average_violations_only 0.4314
_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 0.002 0.002 15 0 "[ . 1 . ]"
1 2 ARG 2.002 0.504 14 1 "[ . 1 +. ]"
1 3 TRP 2.690 0.504 14 1 "[ . 1 +. ]"
1 4 CYS 1.260 0.114 6 0 "[ . 1 . ]"
1 5 PHE 3.220 0.732 5 3 "[* + -1 . ]"
1 6 ARG 3.212 0.740 12 2 "[ - . 1 + . ]"
1 7 VAL 8.261 0.946 5 1 "[ + 1 . ]"
1 8 CYS 120.190 7.263 14 17 [********-****+***]
1 9 TYR 1.328 0.193 13 0 "[ . 1 . ]"
1 10 ARG 7.980 0.742 17 7 "[ **.** 1- * . +]"
1 11 GLY 0.112 0.026 12 0 "[ . 1 . ]"
1 12 PHE 5.129 1.139 5 5 "[- + * * *. ]"
1 13 CYS 4.584 1.139 7 4 "[- . + * *. ]"
1 14 TYR 10.377 0.916 7 3 "[ - . + 1 .* ]"
1 15 ARG 6.631 0.916 7 3 "[- . + 1 .* ]"
1 16 LYS 112.508 7.263 14 17 [**-**********+***]
1 17 CYS 0.648 0.317 5 0 "[ . 1 . ]"
1 18 ARG 3.328 0.625 2 1 "[ + . 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 ARG H 2.300 . 2.600 2.323 2.210 2.602 0.002 15 0 "[ . 1 . ]" 1
2 1 1 ARG QB 1 2 ARG H 3.700 2.800 4.600 3.762 2.844 4.054 . 0 0 "[ . 1 . ]" 1
3 1 2 ARG H 1 2 ARG QB 3.100 2.300 3.900 2.788 2.104 3.253 0.196 9 0 "[ . 1 . ]" 1
4 1 2 ARG H 1 2 ARG HG2 4.800 3.100 6.500 4.288 3.077 5.166 0.023 3 0 "[ . 1 . ]" 1
5 1 2 ARG H 1 2 ARG HG3 4.800 3.100 6.500 3.903 3.084 4.606 0.016 2 0 "[ . 1 . ]" 1
6 1 2 ARG HA 1 3 TRP H 2.100 . 2.300 2.266 2.206 2.408 0.108 2 0 "[ . 1 . ]" 1
7 1 2 ARG QB 1 3 TRP H 3.400 2.500 4.300 3.368 2.508 3.952 . 0 0 "[ . 1 . ]" 1
8 1 2 ARG QB 1 3 TRP HZ2 4.700 3.200 6.200 5.031 3.668 5.600 . 0 0 "[ . 1 . ]" 1
9 1 2 ARG QG 1 3 TRP H 4.400 3.300 5.500 3.585 2.796 4.248 0.504 14 1 "[ . 1 +. ]" 1
10 1 3 TRP H 1 3 TRP HB2 3.700 2.400 5.000 3.441 2.738 3.681 . 0 0 "[ . 1 . ]" 1
11 1 3 TRP H 1 3 TRP HB3 3.700 2.400 5.000 3.699 2.552 4.006 . 0 0 "[ . 1 . ]" 1
12 1 3 TRP H 1 3 TRP HD1 4.100 3.100 5.100 4.160 3.351 4.896 . 0 0 "[ . 1 . ]" 1
13 1 3 TRP H 1 3 TRP HZ2 4.400 3.300 5.600 5.531 4.921 5.724 0.124 4 0 "[ . 1 . ]" 1
14 1 3 TRP H 1 4 CYS H 3.500 3.100 4.000 3.785 3.412 4.026 0.026 9 0 "[ . 1 . ]" 1
15 1 3 TRP HA 1 4 CYS H 2.100 . 2.400 2.326 2.195 2.437 0.037 16 0 "[ . 1 . ]" 1
16 1 3 TRP QB 1 18 ARG H 4.400 3.300 5.500 4.258 2.952 4.957 0.348 7 0 "[ . 1 . ]" 1
17 1 3 TRP HB2 1 3 TRP HD1 4.200 2.400 6.000 3.183 2.569 3.877 . 0 0 "[ . 1 . ]" 1
18 1 3 TRP HB2 1 4 CYS H 4.000 2.600 5.400 4.327 4.125 4.433 . 0 0 "[ . 1 . ]" 1
19 1 3 TRP HB3 1 3 TRP HD1 4.200 2.400 6.000 3.150 2.570 3.813 . 0 0 "[ . 1 . ]" 1
20 1 3 TRP HB3 1 4 CYS H 4.000 2.600 5.400 4.139 3.565 4.642 . 0 0 "[ . 1 . ]" 1
21 1 4 CYS H 1 4 CYS HA 2.900 2.500 3.300 2.783 2.386 3.004 0.114 6 0 "[ . 1 . ]" 1
22 1 4 CYS H 1 4 CYS HB2 3.800 2.300 5.300 2.900 2.208 3.470 0.092 4 0 "[ . 1 . ]" 1
23 1 4 CYS H 1 4 CYS HB3 3.800 2.300 5.300 3.598 2.771 4.072 . 0 0 "[ . 1 . ]" 1
24 1 4 CYS H 1 5 PHE H 4.500 3.600 5.400 4.217 3.859 4.633 . 0 0 "[ . 1 . ]" 1
25 1 4 CYS HA 1 5 PHE H 2.000 . 2.200 2.227 2.201 2.297 0.097 8 0 "[ . 1 . ]" 1
26 1 4 CYS HA 1 5 PHE QD 4.000 3.000 5.000 3.854 3.051 4.572 . 0 0 "[ . 1 . ]" 1
27 1 4 CYS HA 1 16 LYS H 3.200 2.800 3.600 3.418 2.851 3.623 0.023 4 0 "[ . 1 . ]" 1
28 1 4 CYS QB 1 5 PHE H 3.100 2.200 4.000 3.474 3.135 3.616 . 0 0 "[ . 1 . ]" 1
29 1 4 CYS HB2 1 16 LYS H 4.500 3.000 6.000 5.586 4.136 6.008 0.008 7 0 "[ . 1 . ]" 1
30 1 4 CYS HB3 1 16 LYS H 4.500 3.000 6.000 4.947 3.109 5.859 . 0 0 "[ . 1 . ]" 1
31 1 5 PHE H 1 5 PHE HB2 3.800 2.400 5.100 2.811 2.394 3.984 0.006 17 0 "[ . 1 . ]" 1
32 1 5 PHE H 1 5 PHE HB3 3.800 2.400 5.100 3.742 3.585 4.075 . 0 0 "[ . 1 . ]" 1
33 1 5 PHE H 1 5 PHE QD 4.000 2.600 5.400 2.793 1.868 3.519 0.732 5 3 "[* + -1 . ]" 1
34 1 5 PHE QB 1 16 LYS H 4.200 3.200 5.200 4.121 3.441 4.696 . 0 0 "[ . 1 . ]" 1
35 1 5 PHE HB2 1 5 PHE QD 4.300 2.100 6.500 2.391 2.302 2.784 . 0 0 "[ . 1 . ]" 1
36 1 5 PHE HB3 1 5 PHE QD 4.300 2.100 6.500 2.520 2.305 2.696 . 0 0 "[ . 1 . ]" 1
37 1 5 PHE QD 1 6 ARG H 4.600 3.100 6.100 3.993 2.932 4.932 0.168 16 0 "[ . 1 . ]" 1
38 1 6 ARG H 1 6 ARG HB2 3.400 2.200 4.600 3.145 2.259 3.962 . 0 0 "[ . 1 . ]" 1
39 1 6 ARG H 1 6 ARG HB3 3.400 2.200 4.600 3.035 2.226 3.799 . 0 0 "[ . 1 . ]" 1
40 1 6 ARG H 1 6 ARG QG 3.800 2.900 4.800 3.699 2.160 4.241 0.740 12 2 "[ - . 1 + . ]" 1
41 1 6 ARG QB 1 7 VAL H 4.000 3.000 5.000 3.718 2.542 4.067 0.458 8 0 "[ . 1 . ]" 1
42 1 6 ARG QG 1 7 VAL H 3.700 2.800 4.600 3.535 2.376 4.105 0.424 7 0 "[ . 1 . ]" 1
43 1 7 VAL H 1 7 VAL HB 2.600 2.200 3.000 2.656 2.379 2.934 . 0 0 "[ . 1 . ]" 1
44 1 7 VAL H 1 7 VAL MG1 4.300 2.800 5.800 3.705 1.854 3.919 0.946 5 1 "[ + 1 . ]" 1
45 1 7 VAL H 1 7 VAL MG2 4.300 2.800 5.800 3.091 2.514 3.842 0.286 15 0 "[ . 1 . ]" 1
46 1 7 VAL H 1 8 CYS H 3.500 3.100 4.000 3.939 3.600 4.022 0.022 3 0 "[ . 1 . ]" 1
47 1 7 VAL H 1 13 CYS HA 3.500 3.000 3.900 3.824 3.623 3.925 0.025 17 0 "[ . 1 . ]" 1
48 1 7 VAL H 1 13 CYS QB 4.500 3.400 5.600 4.277 3.723 4.898 . 0 0 "[ . 1 . ]" 1
49 1 7 VAL H 1 14 TYR H 2.500 2.200 2.900 2.275 2.192 2.368 0.008 6 0 "[ . 1 . ]" 1
50 1 7 VAL HA 1 7 VAL HB 2.900 2.500 3.300 2.998 2.500 3.037 0.000 5 0 "[ . 1 . ]" 1
51 1 7 VAL HA 1 7 VAL MG1 3.700 2.500 4.900 2.487 2.299 3.204 0.201 3 0 "[ . 1 . ]" 1
52 1 7 VAL HA 1 7 VAL MG2 3.700 2.500 4.900 2.236 2.110 2.465 0.390 13 0 "[ . 1 . ]" 1
53 1 7 VAL HA 1 8 CYS H 2.000 . 2.300 2.254 2.204 2.314 0.014 12 0 "[ . 1 . ]" 1
54 1 7 VAL HA 1 14 TYR H 3.900 3.300 4.500 4.488 4.312 4.585 0.085 8 0 "[ . 1 . ]" 1
55 1 7 VAL HB 1 14 TYR H 3.700 3.200 4.200 3.348 3.188 4.225 0.025 5 0 "[ . 1 . ]" 1
56 1 7 VAL MG1 1 8 CYS H 4.200 2.900 5.400 3.256 2.863 4.106 0.037 16 0 "[ . 1 . ]" 1
57 1 7 VAL MG2 1 8 CYS H 4.200 2.900 5.400 4.093 3.253 4.316 . 0 0 "[ . 1 . ]" 1
58 1 8 CYS H 1 8 CYS HA 2.800 2.400 3.200 2.945 2.878 2.983 . 0 0 "[ . 1 . ]" 1
59 1 8 CYS H 1 8 CYS QB 3.700 2.800 4.600 2.176 2.093 2.511 0.707 7 15 "[******+ -******* ]" 1
60 1 8 CYS H 1 13 CYS HA 3.800 3.300 4.300 4.091 3.886 4.307 0.007 6 0 "[ . 1 . ]" 1
61 1 8 CYS H 1 16 LYS HA 4.800 3.700 6.000 12.399 10.348 13.263 7.263 14 17 [**-**********+***] 1
62 1 8 CYS HA 1 9 TYR H 2.000 . 2.200 2.208 2.199 2.218 0.018 2 0 "[ . 1 . ]" 1
63 1 8 CYS HA 1 13 CYS HA 2.200 . 2.500 1.892 1.852 1.989 0.048 5 0 "[ . 1 . ]" 1
64 1 8 CYS HA 1 14 TYR H 3.000 2.600 3.700 3.705 3.592 3.736 0.036 17 0 "[ . 1 . ]" 1
65 1 8 CYS HB2 1 9 TYR H 4.100 2.700 5.500 4.453 4.093 4.564 . 0 0 "[ . 1 . ]" 1
66 1 8 CYS HB3 1 9 TYR H 4.100 2.700 5.500 3.650 3.420 3.835 . 0 0 "[ . 1 . ]" 1
67 1 9 TYR H 1 9 TYR QB 3.000 2.200 3.900 2.188 2.010 2.615 0.190 2 0 "[ . 1 . ]" 1
68 1 9 TYR H 1 9 TYR QD 4.600 3.100 6.100 3.845 3.111 4.219 . 0 0 "[ . 1 . ]" 1
69 1 9 TYR H 1 11 GLY H 3.400 3.000 3.800 3.634 3.438 3.773 . 0 0 "[ . 1 . ]" 1
70 1 9 TYR H 1 12 PHE H 2.800 2.400 3.200 2.975 2.762 3.102 . 0 0 "[ . 1 . ]" 1
71 1 9 TYR H 1 12 PHE QB 3.900 3.000 4.800 3.651 2.807 4.277 0.193 13 0 "[ . 1 . ]" 1
72 1 9 TYR H 1 13 CYS HA 2.900 2.500 3.300 3.102 2.844 3.304 0.004 10 0 "[ . 1 . ]" 1
73 1 9 TYR QB 1 10 ARG H 3.500 2.600 4.300 3.869 3.802 3.908 . 0 0 "[ . 1 . ]" 1
74 1 9 TYR QD 1 10 ARG H 4.400 3.000 5.800 4.544 3.752 4.917 . 0 0 "[ . 1 . ]" 1
75 1 10 ARG H 1 10 ARG HA 2.100 . 2.300 2.354 2.352 2.360 0.060 6 0 "[ . 1 . ]" 1
76 1 10 ARG H 1 10 ARG HB2 4.300 3.000 5.700 3.209 3.003 3.667 . 0 0 "[ . 1 . ]" 1
77 1 10 ARG H 1 10 ARG HB3 4.300 3.000 5.700 3.936 3.581 4.071 . 0 0 "[ . 1 . ]" 1
78 1 10 ARG H 1 10 ARG HG2 4.000 2.600 5.300 3.637 2.619 5.218 . 0 0 "[ . 1 . ]" 1
79 1 10 ARG H 1 10 ARG HG3 4.000 2.600 5.300 4.095 2.737 4.944 . 0 0 "[ . 1 . ]" 1
80 1 10 ARG H 1 11 GLY H 3.000 2.700 3.400 2.828 2.693 2.978 0.007 5 0 "[ . 1 . ]" 1
81 1 10 ARG HA 1 10 ARG HB2 3.500 2.200 4.800 2.872 2.528 3.035 . 0 0 "[ . 1 . ]" 1
82 1 10 ARG HA 1 10 ARG HB3 3.500 2.200 4.800 2.743 2.390 3.034 . 0 0 "[ . 1 . ]" 1
83 1 10 ARG HA 1 10 ARG QD 3.500 2.600 4.300 2.615 1.858 3.887 0.742 17 7 "[ **.** 1- * . +]" 1
84 1 10 ARG HA 1 10 ARG HG2 3.500 2.300 4.700 2.711 2.283 3.691 0.017 16 0 "[ . 1 . ]" 1
85 1 10 ARG HA 1 10 ARG HG3 4.200 2.900 5.500 3.302 2.897 3.645 0.003 17 0 "[ . 1 . ]" 1
86 1 10 ARG HA 1 11 GLY H 2.500 2.200 2.900 2.801 2.679 2.926 0.026 12 0 "[ . 1 . ]" 1
87 1 10 ARG HA 1 12 PHE H 4.200 3.400 5.000 4.751 4.221 4.999 . 0 0 "[ . 1 . ]" 1
88 1 10 ARG QB 1 10 ARG HG2 4.000 2.300 5.700 2.369 2.199 2.469 0.101 17 0 "[ . 1 . ]" 1
89 1 10 ARG QB 1 11 GLY H 3.600 2.700 4.500 3.888 3.801 3.988 . 0 0 "[ . 1 . ]" 1
90 1 10 ARG HB2 1 10 ARG HG3 2.800 2.400 3.200 2.553 2.355 3.035 0.045 14 0 "[ . 1 . ]" 1
91 1 10 ARG HB3 1 10 ARG QG 3.900 2.300 5.500 2.367 2.197 2.468 0.103 17 0 "[ . 1 . ]" 1
92 1 11 GLY H 1 11 GLY QA 2.800 . 3.600 2.467 2.289 2.524 . 0 0 "[ . 1 . ]" 1
93 1 11 GLY H 1 12 PHE H 2.800 2.400 3.200 2.478 2.394 2.683 0.006 6 0 "[ . 1 . ]" 1
94 1 11 GLY H 1 13 CYS H 4.500 3.600 5.400 5.239 4.748 5.419 0.019 5 0 "[ . 1 . ]" 1
95 1 11 GLY HA2 1 12 PHE H 3.900 2.600 5.200 3.542 3.386 3.582 . 0 0 "[ . 1 . ]" 1
96 1 11 GLY HA3 1 12 PHE H 3.900 2.600 5.200 2.865 2.716 3.202 . 0 0 "[ . 1 . ]" 1
97 1 12 PHE H 1 12 PHE HB2 3.400 2.200 4.600 2.437 2.192 2.801 0.008 13 0 "[ . 1 . ]" 1
98 1 12 PHE H 1 12 PHE HB3 3.400 2.200 4.600 3.209 2.736 3.646 . 0 0 "[ . 1 . ]" 1
99 1 12 PHE H 1 12 PHE QD 4.700 3.200 6.200 3.872 2.061 4.282 1.139 5 1 "[ + 1 . ]" 1
100 1 12 PHE HA 1 13 CYS H 2.000 . 2.300 2.241 2.207 2.336 0.036 12 0 "[ . 1 . ]" 1
101 1 12 PHE HB2 1 13 CYS H 3.900 2.600 5.200 4.567 4.454 4.694 . 0 0 "[ . 1 . ]" 1
102 1 12 PHE HB3 1 13 CYS H 3.900 2.600 5.200 3.908 3.517 4.310 . 0 0 "[ . 1 . ]" 1
103 1 12 PHE QD 1 13 CYS H 4.800 3.300 6.300 3.437 2.161 4.803 1.139 7 4 "[- . + * *. ]" 1
104 1 13 CYS H 1 13 CYS HA 2.900 2.500 3.300 2.990 2.963 3.004 . 0 0 "[ . 1 . ]" 1
105 1 13 CYS H 1 13 CYS HB2 3.700 2.100 5.200 2.415 2.175 2.933 . 0 0 "[ . 1 . ]" 1
106 1 13 CYS H 1 13 CYS HB3 3.700 2.100 5.200 3.232 2.658 3.676 . 0 0 "[ . 1 . ]" 1
107 1 13 CYS H 1 14 TYR H 4.700 3.600 5.700 4.508 4.432 4.570 . 0 0 "[ . 1 . ]" 1
108 1 13 CYS HA 1 13 CYS QB 3.000 2.200 3.800 2.452 2.375 2.542 . 0 0 "[ . 1 . ]" 1
109 1 13 CYS HA 1 14 TYR H 2.000 . 2.200 2.225 2.191 2.269 0.069 8 0 "[ . 1 . ]" 1
110 1 13 CYS HA 1 14 TYR QD 4.300 2.900 5.700 4.398 3.052 5.206 . 0 0 "[ . 1 . ]" 1
111 1 13 CYS QB 1 14 TYR H 3.300 2.500 4.100 3.379 2.958 3.666 . 0 0 "[ . 1 . ]" 1
112 1 14 TYR H 1 14 TYR QB 3.200 2.400 4.000 2.244 1.921 3.004 0.479 4 0 "[ . 1 . ]" 1
113 1 14 TYR H 1 14 TYR QD 3.900 2.500 5.300 3.234 2.401 3.977 0.099 3 0 "[ . 1 . ]" 1
114 1 14 TYR H 1 15 ARG H 4.300 3.500 5.200 4.497 4.085 4.714 . 0 0 "[ . 1 . ]" 1
115 1 14 TYR QD 1 15 ARG H 4.500 3.000 6.000 3.173 2.084 4.532 0.916 7 2 "[ . + 1 .- ]" 1
116 1 14 TYR QE 1 16 LYS QB 4.600 2.700 6.400 3.924 1.924 4.976 0.776 3 1 "[ + . 1 . ]" 1
117 1 15 ARG H 1 15 ARG QB 2.700 . 3.500 2.631 2.138 3.289 . 0 0 "[ . 1 . ]" 1
118 1 15 ARG H 1 15 ARG QD 3.600 2.700 4.500 3.497 2.116 4.077 0.584 1 1 "[+ . 1 . ]" 1
119 1 15 ARG H 1 15 ARG HG2 4.700 3.000 6.300 4.326 2.931 5.055 0.069 1 0 "[ . 1 . ]" 1
120 1 15 ARG H 1 15 ARG HG3 4.700 3.000 6.300 4.297 3.290 5.060 . 0 0 "[ . 1 . ]" 1
121 1 15 ARG H 1 16 LYS H 3.500 3.100 4.000 3.740 3.079 4.249 0.249 7 0 "[ . 1 . ]" 1
122 1 15 ARG HA 1 16 LYS H 2.200 . 2.500 2.354 2.206 2.506 0.006 14 0 "[ . 1 . ]" 1
123 1 15 ARG QB 1 16 LYS H 3.800 2.900 4.700 3.784 3.121 4.080 . 0 0 "[ . 1 . ]" 1
124 1 16 LYS H 1 16 LYS HB2 3.600 2.300 4.900 2.790 2.351 3.620 . 0 0 "[ . 1 . ]" 1
125 1 16 LYS H 1 16 LYS HB3 3.600 2.300 4.900 3.156 2.341 3.723 . 0 0 "[ . 1 . ]" 1
126 1 16 LYS H 1 16 LYS QG 3.600 2.700 4.500 3.897 3.161 4.107 . 0 0 "[ . 1 . ]" 1
127 1 16 LYS HA 1 16 LYS QB 3.400 2.500 4.300 2.464 2.294 2.552 0.206 9 0 "[ . 1 . ]" 1
128 1 16 LYS HA 1 17 CYS H 2.000 . 2.200 2.215 2.207 2.242 0.042 4 0 "[ . 1 . ]" 1
129 1 16 LYS HB2 1 17 CYS H 4.100 2.800 5.400 4.508 4.254 4.643 . 0 0 "[ . 1 . ]" 1
130 1 16 LYS HB3 1 17 CYS H 4.100 2.800 5.400 4.015 3.585 4.439 . 0 0 "[ . 1 . ]" 1
131 1 16 LYS QD 1 17 CYS H 4.500 3.400 5.700 4.496 3.625 5.130 . 0 0 "[ . 1 . ]" 1
132 1 16 LYS QG 1 17 CYS H 4.000 3.000 5.000 3.389 2.683 4.228 0.317 5 0 "[ . 1 . ]" 1
133 1 17 CYS H 1 17 CYS HA 2.800 2.400 3.200 2.952 2.858 3.004 . 0 0 "[ . 1 . ]" 1
134 1 17 CYS H 1 17 CYS HB2 3.800 2.100 5.500 2.738 2.056 4.029 0.044 1 0 "[ . 1 . ]" 1
135 1 17 CYS H 1 17 CYS HB3 3.800 2.100 5.500 3.449 2.682 3.870 . 0 0 "[ . 1 . ]" 1
136 1 17 CYS H 1 18 ARG H 4.100 3.400 4.800 4.348 3.977 4.660 . 0 0 "[ . 1 . ]" 1
137 1 17 CYS HA 1 18 ARG H 2.100 . 2.300 2.263 2.212 2.305 0.005 11 0 "[ . 1 . ]" 1
138 1 17 CYS HB2 1 18 ARG H 4.000 2.600 5.300 4.119 2.973 4.676 . 0 0 "[ . 1 . ]" 1
139 1 17 CYS HB3 1 18 ARG H 4.000 2.600 5.300 3.659 3.072 4.136 . 0 0 "[ . 1 . ]" 1
140 1 18 ARG H 1 18 ARG QB 3.600 2.700 4.500 2.631 2.075 3.137 0.625 2 1 "[ + . 1 . ]" 1
stop_
save_
Contact the webmaster for help, if required. Saturday, May 18, 2024 1:06:09 AM GMT (wattos1)