NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
609148 |
5kjg   |
30120 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5kjg
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 152
_Distance_constraint_stats_list.Viol_count 533
_Distance_constraint_stats_list.Viol_total 1163.163
_Distance_constraint_stats_list.Viol_max 0.983
_Distance_constraint_stats_list.Viol_rms 0.0628
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0191
_Distance_constraint_stats_list.Viol_average_violations_only 0.1091
_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 2 MET 0.100 0.054 7 0 "[ . 1 . 2]"
1 3 ASP 3.402 0.493 19 0 "[ . 1 . 2]"
1 4 TRP 20.393 0.493 19 0 "[ . 1 . 2]"
1 5 GLY 5.792 0.258 3 0 "[ . 1 . 2]"
1 6 THR 4.640 0.258 3 0 "[ . 1 . 2]"
1 7 LEU 21.079 0.463 19 0 "[ . 1 . 2]"
1 8 GLN 12.312 0.356 19 0 "[ . 1 . 2]"
1 9 THR 2.695 0.333 16 0 "[ . 1 . 2]"
1 10 ILE 16.088 0.983 11 1 "[ . 1+ . 2]"
1 11 LEU 10.855 0.484 9 0 "[ . 1 . 2]"
1 12 GLY 4.290 0.533 15 1 "[ . 1 + 2]"
1 13 ARG 2.914 0.533 15 1 "[ . 1 + 2]"
1 14 VAL 0.742 0.111 19 0 "[ . 1 . 2]"
1 15 ASN 0.364 0.026 9 0 "[ . 1 . 2]"
1 16 LYS 0.240 0.026 5 0 "[ . 1 . 2]"
1 17 HIS 0.177 0.027 3 0 "[ . 1 . 2]"
1 18 SER 0.083 0.040 6 0 "[ . 1 . 2]"
1 19 THR 0.013 0.013 19 0 "[ . 1 . 2]"
1 20 SER 0.334 0.068 11 0 "[ . 1 . 2]"
1 21 ILE 0.286 0.068 11 0 "[ . 1 . 2]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 LYS 0.035 0.015 5 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 2 MET HA 1 2 MET QG 3.400 . 5.000 2.849 2.437 3.339 . 0 0 "[ . 1 . 2]" 1
2 1 2 MET HA 1 3 ASP H 2.400 . 3.000 2.423 2.139 3.054 0.054 7 0 "[ . 1 . 2]" 1
3 1 3 ASP H 1 3 ASP HA 2.750 . 3.700 2.900 2.846 2.948 . 0 0 "[ . 1 . 2]" 1
4 1 3 ASP H 1 3 ASP HB2 3.400 . 5.000 3.108 2.692 4.009 . 0 0 "[ . 1 . 2]" 1
5 1 3 ASP H 1 3 ASP HB3 3.400 . 5.000 3.782 3.085 3.916 . 0 0 "[ . 1 . 2]" 1
6 1 3 ASP H 1 6 THR HA 3.400 . 5.000 5.091 5.059 5.143 0.143 8 0 "[ . 1 . 2]" 1
7 1 3 ASP HA 1 3 ASP HB2 2.400 . 3.000 2.891 2.464 3.027 0.027 5 0 "[ . 1 . 2]" 1
8 1 3 ASP HA 1 3 ASP HB3 2.400 . 3.000 2.493 2.404 3.015 0.015 19 0 "[ . 1 . 2]" 1
9 1 3 ASP HA 1 4 TRP H 2.400 . 3.000 2.507 2.171 3.493 0.493 19 0 "[ . 1 . 2]" 1
10 1 3 ASP HB2 1 4 TRP H 3.400 . 5.000 3.469 1.787 4.379 0.013 7 0 "[ . 1 . 2]" 1
11 1 3 ASP HB3 1 4 TRP H 3.400 . 5.000 2.890 1.787 4.531 0.013 20 0 "[ . 1 . 2]" 1
12 1 4 TRP H 1 4 TRP HA 2.400 . 3.000 2.374 2.276 2.846 . 0 0 "[ . 1 . 2]" 1
13 1 4 TRP H 1 4 TRP HB2 2.750 . 3.700 3.220 2.538 3.645 . 0 0 "[ . 1 . 2]" 1
14 1 4 TRP H 1 5 GLY H 3.400 . 5.000 3.975 1.898 4.639 . 0 0 "[ . 1 . 2]" 1
15 1 4 TRP HA 1 4 TRP HB2 2.400 . 3.000 2.383 2.282 2.457 . 0 0 "[ . 1 . 2]" 1
16 1 4 TRP HA 1 4 TRP HB3 2.400 . 3.000 3.011 2.958 3.024 0.024 18 0 "[ . 1 . 2]" 1
17 1 4 TRP HA 1 4 TRP HD1 3.400 . 5.000 4.756 4.654 4.835 . 0 0 "[ . 1 . 2]" 1
18 1 4 TRP HA 1 4 TRP HE3 2.750 . 3.700 2.155 1.905 2.602 . 0 0 "[ . 1 . 2]" 1
19 1 4 TRP HA 1 5 GLY H 2.750 . 3.700 3.112 2.402 3.501 . 0 0 "[ . 1 . 2]" 1
20 1 4 TRP HA 1 7 LEU HB2 3.400 . 5.000 4.972 4.602 5.092 0.092 20 0 "[ . 1 . 2]" 1
21 1 4 TRP HA 1 7 LEU HB3 3.400 . 5.000 4.585 4.518 4.750 . 0 0 "[ . 1 . 2]" 1
22 1 4 TRP HA 1 7 LEU MD2 3.400 . 5.000 5.005 4.868 5.151 0.151 19 0 "[ . 1 . 2]" 1
23 1 4 TRP HA 1 10 ILE MG 3.400 . 5.000 3.897 2.248 5.009 0.009 18 0 "[ . 1 . 2]" 1
24 1 4 TRP QB 1 7 LEU MD1 3.400 . 5.500 3.320 3.161 3.520 . 0 0 "[ . 1 . 2]" 1
25 1 4 TRP HB2 1 4 TRP HD1 2.750 . 3.700 3.597 3.519 3.700 . 20 0 "[ . 1 . 2]" 1
26 1 4 TRP HB2 1 4 TRP HE3 3.400 . 5.000 2.912 2.744 3.032 . 0 0 "[ . 1 . 2]" 1
27 1 4 TRP HB2 1 5 GLY H 3.400 . 5.000 3.603 3.348 3.890 . 0 0 "[ . 1 . 2]" 1
28 1 4 TRP HB2 1 10 ILE MG 3.400 . 5.000 3.576 1.798 4.561 0.002 12 0 "[ . 1 . 2]" 1
29 1 4 TRP HB3 1 4 TRP HD1 2.400 . 3.000 2.581 2.569 2.608 . 0 0 "[ . 1 . 2]" 1
30 1 4 TRP HB3 1 4 TRP HE3 3.400 . 5.000 4.112 4.074 4.127 . 0 0 "[ . 1 . 2]" 1
31 1 4 TRP HB3 1 5 GLY H 3.400 . 5.000 2.620 1.920 3.628 . 0 0 "[ . 1 . 2]" 1
32 1 4 TRP HD1 1 5 GLY HA3 3.400 . 5.000 4.200 3.939 4.633 . 0 0 "[ . 1 . 2]" 1
33 1 4 TRP HD1 1 6 THR HA 3.400 . 5.000 4.136 3.953 5.042 0.042 8 0 "[ . 1 . 2]" 1
34 1 4 TRP HD1 1 10 ILE QG 3.400 . 5.000 5.092 5.023 5.213 0.213 11 0 "[ . 1 . 2]" 1
35 1 4 TRP HE3 1 5 GLY HA3 3.400 . 5.000 5.213 5.194 5.249 0.249 8 0 "[ . 1 . 2]" 1
36 1 4 TRP HE3 1 7 LEU HB3 3.400 . 5.000 5.320 5.263 5.463 0.463 19 0 "[ . 1 . 2]" 1
37 1 4 TRP HE3 1 7 LEU MD1 3.400 . 5.000 5.168 5.103 5.240 0.240 2 0 "[ . 1 . 2]" 1
38 1 4 TRP HE3 1 7 LEU MD2 3.400 . 5.000 5.088 5.001 5.153 0.153 8 0 "[ . 1 . 2]" 1
39 1 5 GLY H 1 5 GLY HA2 2.400 . 3.000 2.759 2.613 2.811 . 0 0 "[ . 1 . 2]" 1
40 1 5 GLY H 1 5 GLY HA3 2.400 . 3.000 2.629 2.272 2.911 . 0 0 "[ . 1 . 2]" 1
41 1 5 GLY H 1 6 THR H 3.400 . 5.000 2.040 1.542 2.769 0.258 3 0 "[ . 1 . 2]" 1
42 1 5 GLY HA3 1 6 THR H 2.750 . 3.700 2.970 2.866 3.384 . 0 0 "[ . 1 . 2]" 1
43 1 6 THR H 1 6 THR HA 2.400 . 3.000 2.809 2.663 2.870 . 0 0 "[ . 1 . 2]" 1
44 1 6 THR H 1 6 THR HG1 3.400 . 5.000 4.223 2.941 4.830 . 0 0 "[ . 1 . 2]" 1
45 1 6 THR H 1 7 LEU H 2.750 . 3.700 2.110 1.681 3.070 0.119 20 0 "[ . 1 . 2]" 1
46 1 6 THR HA 1 6 THR HG1 2.400 . 3.000 2.539 2.276 3.027 0.027 13 0 "[ . 1 . 2]" 1
47 1 6 THR HG1 1 7 LEU H 3.400 . 5.000 4.662 3.863 5.034 0.034 15 0 "[ . 1 . 2]" 1
48 1 7 LEU H 1 7 LEU HB2 2.750 . 3.700 2.773 2.226 3.146 . 0 0 "[ . 1 . 2]" 1
49 1 7 LEU H 1 7 LEU HB3 2.400 . 3.000 2.890 2.740 3.113 0.113 19 0 "[ . 1 . 2]" 1
50 1 7 LEU H 1 7 LEU MD1 3.400 . 5.000 4.327 3.882 4.629 . 0 0 "[ . 1 . 2]" 1
51 1 7 LEU H 1 7 LEU MD2 3.400 . 5.000 4.460 4.326 4.677 . 0 0 "[ . 1 . 2]" 1
52 1 7 LEU HA 1 7 LEU HB2 2.400 . 3.000 2.623 2.584 2.682 . 0 0 "[ . 1 . 2]" 1
53 1 7 LEU HA 1 7 LEU HB3 2.400 . 3.000 2.995 2.971 3.002 0.002 18 0 "[ . 1 . 2]" 1
54 1 7 LEU HA 1 7 LEU MD1 2.750 . 3.700 3.009 2.713 3.129 . 0 0 "[ . 1 . 2]" 1
55 1 7 LEU HA 1 8 GLN H 2.400 . 3.000 2.720 2.574 2.979 . 0 0 "[ . 1 . 2]" 1
56 1 7 LEU HB2 1 8 GLN H 3.400 . 5.000 3.603 3.403 3.734 . 0 0 "[ . 1 . 2]" 1
57 1 7 LEU HB3 1 8 GLN H 2.750 . 3.700 2.627 2.034 2.923 . 0 0 "[ . 1 . 2]" 1
58 1 7 LEU HB3 1 8 GLN HA 2.750 . 3.700 4.017 3.900 4.051 0.351 18 0 "[ . 1 . 2]" 1
59 1 7 LEU MD1 1 8 GLN H 3.400 . 5.000 3.555 3.475 3.729 . 0 0 "[ . 1 . 2]" 1
60 1 7 LEU MD2 1 8 GLN H 3.400 . 5.000 1.858 1.762 2.097 0.038 12 0 "[ . 1 . 2]" 1
61 1 7 LEU MD2 1 8 GLN QE 3.400 . 5.000 4.337 1.861 4.955 . 0 0 "[ . 1 . 2]" 1
62 1 8 GLN H 1 8 GLN HA 2.750 . 3.700 2.884 2.827 2.902 . 0 0 "[ . 1 . 2]" 1
63 1 8 GLN H 1 8 GLN HB2 2.750 . 3.700 3.251 2.755 3.959 0.259 12 0 "[ . 1 . 2]" 1
64 1 8 GLN H 1 8 GLN HB3 3.400 . 5.000 3.350 2.679 3.890 . 0 0 "[ . 1 . 2]" 1
65 1 8 GLN H 1 8 GLN QG 2.750 . 3.700 3.582 2.839 3.852 0.152 20 0 "[ . 1 . 2]" 1
66 1 8 GLN H 1 9 THR H 3.400 . 5.000 2.466 1.707 4.386 0.093 13 0 "[ . 1 . 2]" 1
67 1 8 GLN HA 1 8 GLN HB2 2.750 . 3.700 2.668 2.262 3.025 . 0 0 "[ . 1 . 2]" 1
68 1 8 GLN HA 1 8 GLN HB3 2.750 . 3.700 2.723 2.318 2.981 . 0 0 "[ . 1 . 2]" 1
69 1 8 GLN HA 1 8 GLN QG 2.750 . 3.700 2.961 2.362 3.514 . 0 0 "[ . 1 . 2]" 1
70 1 8 GLN HA 1 9 THR H 2.750 . 3.700 3.401 2.373 3.587 . 0 0 "[ . 1 . 2]" 1
71 1 8 GLN HA 1 10 ILE MG 3.400 . 5.000 4.942 3.048 5.309 0.309 19 0 "[ . 1 . 2]" 1
72 1 8 GLN HA 1 11 LEU H 3.400 . 5.000 5.049 4.821 5.107 0.107 14 0 "[ . 1 . 2]" 1
73 1 8 GLN HB2 1 9 THR H 3.400 . 5.000 3.223 2.230 3.999 . 0 0 "[ . 1 . 2]" 1
74 1 8 GLN QE 1 10 ILE MG 3.400 . 5.000 5.038 4.419 5.356 0.356 19 0 "[ . 1 . 2]" 1
75 1 9 THR H 1 9 THR HG1 3.400 . 5.000 3.743 2.305 4.333 . 0 0 "[ . 1 . 2]" 1
76 1 9 THR H 1 10 ILE H 3.400 . 5.000 3.692 2.524 4.107 . 0 0 "[ . 1 . 2]" 1
77 1 9 THR HA 1 9 THR HG1 2.400 . 3.000 2.688 2.439 3.333 0.333 16 0 "[ . 1 . 2]" 1
78 1 9 THR HA 1 10 ILE H 2.400 . 3.000 2.395 2.159 3.188 0.188 20 0 "[ . 1 . 2]" 1
79 1 9 THR HG1 1 10 ILE H 2.750 . 3.700 3.630 3.424 3.919 0.219 19 0 "[ . 1 . 2]" 1
80 1 10 ILE H 1 10 ILE HA 2.400 . 3.000 2.876 2.739 2.923 . 0 0 "[ . 1 . 2]" 1
81 1 10 ILE H 1 10 ILE HB 2.400 . 3.000 2.571 2.053 3.193 0.193 11 0 "[ . 1 . 2]" 1
82 1 10 ILE H 1 10 ILE MD 3.400 . 5.000 4.194 3.105 4.405 . 0 0 "[ . 1 . 2]" 1
83 1 10 ILE H 1 10 ILE HG12 2.750 . 3.700 3.686 2.301 4.683 0.983 11 1 "[ . 1+ . 2]" 1
84 1 10 ILE H 1 10 ILE MG 3.400 . 5.000 3.412 1.853 3.803 . 0 0 "[ . 1 . 2]" 1
85 1 10 ILE H 1 11 LEU H 2.750 . 3.700 2.036 1.724 2.832 0.076 12 0 "[ . 1 . 2]" 1
86 1 10 ILE HA 1 10 ILE HB 2.400 . 3.000 2.886 2.318 3.017 0.017 19 0 "[ . 1 . 2]" 1
87 1 10 ILE HA 1 10 ILE MD 3.400 . 5.000 1.962 1.881 2.272 . 0 0 "[ . 1 . 2]" 1
88 1 10 ILE HA 1 10 ILE HG12 2.750 . 3.700 2.648 2.347 3.850 0.150 11 0 "[ . 1 . 2]" 1
89 1 10 ILE HA 1 10 ILE MG 2.400 . 3.000 2.796 2.292 3.145 0.145 11 0 "[ . 1 . 2]" 1
90 1 10 ILE HA 1 11 LEU H 2.400 . 3.200 3.465 3.129 3.528 0.328 2 0 "[ . 1 . 2]" 1
91 1 10 ILE HA 1 11 LEU QB 3.400 . 5.000 4.657 4.004 5.027 0.027 20 0 "[ . 1 . 2]" 1
92 1 10 ILE HB 1 11 LEU H 2.750 . 3.700 2.983 2.507 3.837 0.137 11 0 "[ . 1 . 2]" 1
93 1 11 LEU H 1 11 LEU HA 2.400 . 3.000 2.827 2.245 2.934 . 0 0 "[ . 1 . 2]" 1
94 1 11 LEU H 1 11 LEU QB 2.750 . 3.000 2.646 2.086 3.194 0.194 11 0 "[ . 1 . 2]" 1
95 1 11 LEU H 1 11 LEU QD 3.400 . 3.700 3.446 2.289 3.743 0.043 16 0 "[ . 1 . 2]" 1
96 1 11 LEU H 1 12 GLY HA2 3.400 . 5.000 4.772 3.843 5.283 0.283 11 0 "[ . 1 . 2]" 1
97 1 11 LEU HA 1 11 LEU QB 2.400 . 3.000 2.416 2.230 2.537 . 0 0 "[ . 1 . 2]" 1
98 1 11 LEU HA 1 11 LEU QD 2.400 . 3.000 2.212 1.714 3.034 0.086 2 0 "[ . 1 . 2]" 1
99 1 11 LEU HA 1 12 GLY H 2.400 . 3.000 2.486 2.142 3.484 0.484 9 0 "[ . 1 . 2]" 1
100 1 11 LEU HA 1 14 VAL H 3.400 . 5.000 4.759 4.012 5.034 0.034 19 0 "[ . 1 . 2]" 1
101 1 11 LEU HA 1 14 VAL QG 3.400 . 5.000 4.039 2.813 4.749 . 0 0 "[ . 1 . 2]" 1
102 1 11 LEU QB 1 12 GLY H 3.400 . 5.000 3.170 1.747 3.815 0.053 9 0 "[ . 1 . 2]" 1
103 1 11 LEU QB 1 12 GLY HA2 3.400 . 5.000 4.210 3.476 4.698 . 0 0 "[ . 1 . 2]" 1
104 1 11 LEU QB 1 13 ARG H 3.400 . 5.000 3.580 2.396 4.662 . 0 0 "[ . 1 . 2]" 1
105 1 11 LEU QD 1 12 GLY H 3.400 . 5.000 2.799 1.564 4.017 0.236 18 0 "[ . 1 . 2]" 1
106 1 11 LEU QD 1 13 ARG HA 3.400 . 5.000 3.441 2.354 5.055 0.055 19 0 "[ . 1 . 2]" 1
107 1 12 GLY H 1 12 GLY HA2 2.400 . 3.000 2.824 2.293 2.956 . 0 0 "[ . 1 . 2]" 1
108 1 12 GLY H 1 13 ARG H 3.400 . 5.000 2.503 1.732 3.926 0.068 4 0 "[ . 1 . 2]" 1
109 1 12 GLY H 1 13 ARG HA 3.400 . 5.000 4.505 3.815 5.080 0.080 15 0 "[ . 1 . 2]" 1
110 1 12 GLY HA2 1 13 ARG H 2.400 . 3.000 2.989 2.656 3.533 0.533 15 1 "[ . 1 + 2]" 1
111 1 13 ARG H 1 13 ARG HA 2.750 . 3.700 2.364 2.260 2.939 . 0 0 "[ . 1 . 2]" 1
112 1 13 ARG H 1 13 ARG HB2 3.400 . 5.000 3.313 2.542 3.576 . 0 0 "[ . 1 . 2]" 1
113 1 13 ARG H 1 13 ARG HB3 3.400 . 5.000 3.860 3.195 4.072 . 0 0 "[ . 1 . 2]" 1
114 1 13 ARG H 1 13 ARG HG2 3.400 . 5.000 4.004 2.778 5.237 0.237 10 0 "[ . 1 . 2]" 1
115 1 13 ARG H 1 14 VAL H 3.400 . 5.000 2.705 1.764 3.480 0.036 15 0 "[ . 1 . 2]" 1
116 1 13 ARG HA 1 13 ARG HB2 2.750 . 3.000 2.869 2.458 3.025 0.025 4 0 "[ . 1 . 2]" 1
117 1 13 ARG HA 1 13 ARG HG2 3.400 . 5.000 2.975 2.546 3.776 . 0 0 "[ . 1 . 2]" 1
118 1 13 ARG HA 1 13 ARG QG 3.400 . 5.000 2.548 2.363 2.997 . 0 0 "[ . 1 . 2]" 1
119 1 13 ARG HA 1 14 VAL H 2.400 . 3.000 2.909 2.193 3.111 0.111 19 0 "[ . 1 . 2]" 1
120 1 13 ARG HB2 1 13 ARG HD2 3.400 . 5.000 3.058 2.461 3.737 . 0 0 "[ . 1 . 2]" 1
121 1 13 ARG HB2 1 14 VAL H 3.400 . 5.000 4.128 3.787 4.631 . 0 0 "[ . 1 . 2]" 1
122 1 13 ARG HB3 1 13 ARG HD2 3.400 . 5.000 3.120 2.487 4.232 . 0 0 "[ . 1 . 2]" 1
123 1 13 ARG HB3 1 14 VAL H 3.400 . 5.000 4.362 3.953 4.470 . 0 0 "[ . 1 . 2]" 1
124 1 14 VAL H 1 14 VAL HA 2.400 . 3.000 2.889 2.774 2.950 . 0 0 "[ . 1 . 2]" 1
125 1 14 VAL H 1 14 VAL HB 2.750 . 3.700 3.190 2.556 3.720 0.020 2 0 "[ . 1 . 2]" 1
126 1 14 VAL H 1 14 VAL QG 3.400 . 3.700 2.009 1.820 2.636 . 0 0 "[ . 1 . 2]" 1
127 1 14 VAL HA 1 14 VAL HB 2.400 . 3.000 2.594 2.429 3.021 0.021 12 0 "[ . 1 . 2]" 1
128 1 14 VAL HA 1 14 VAL QG 2.750 . 3.700 2.256 2.126 2.325 . 0 0 "[ . 1 . 2]" 1
129 1 14 VAL HA 1 15 ASN H 2.750 . 3.700 2.754 2.172 3.571 . 0 0 "[ . 1 . 2]" 1
130 1 15 ASN HA 1 15 ASN HB2 2.400 . 3.000 2.691 2.446 3.026 0.026 9 0 "[ . 1 . 2]" 1
131 1 15 ASN HA 1 15 ASN HB3 2.400 . 3.000 2.662 2.442 3.026 0.026 12 0 "[ . 1 . 2]" 1
132 1 15 ASN HA 1 16 LYS H 3.400 . 5.000 2.519 2.139 3.424 . 0 0 "[ . 1 . 2]" 1
133 1 16 LYS HA 1 16 LYS HB3 2.400 . 3.000 2.746 2.325 3.026 0.026 5 0 "[ . 1 . 2]" 1
134 1 16 LYS HA 1 16 LYS QG 3.400 . 5.000 2.638 2.335 3.467 . 0 0 "[ . 1 . 2]" 1
135 1 17 HIS HA 1 17 HIS HB2 2.750 . 3.700 2.753 2.461 3.027 . 0 0 "[ . 1 . 2]" 1
136 1 17 HIS HA 1 17 HIS HB3 2.400 . 3.000 2.664 2.428 3.027 0.027 3 0 "[ . 1 . 2]" 1
137 1 17 HIS HB2 1 17 HIS HD1 3.400 . 5.000 2.987 2.466 3.709 . 0 0 "[ . 1 . 2]" 1
138 1 17 HIS HB3 1 17 HIS HD1 3.400 . 5.000 3.212 2.506 3.726 . 0 0 "[ . 1 . 2]" 1
139 1 18 SER HA 1 18 SER HB2 2.750 . 3.700 2.690 2.438 3.031 . 0 0 "[ . 1 . 2]" 1
140 1 18 SER HA 1 20 SER QB 2.750 . 3.700 3.639 3.497 3.740 0.040 6 0 "[ . 1 . 2]" 1
141 1 19 THR HA 1 19 THR HG1 2.400 . 3.000 2.570 2.312 3.013 0.013 19 0 "[ . 1 . 2]" 1
142 1 19 THR HA 1 20 SER H 3.400 . 5.000 3.202 2.697 3.440 . 0 0 "[ . 1 . 2]" 1
143 1 19 THR HB 1 19 THR HG1 2.400 . 3.000 2.651 2.175 2.853 . 0 0 "[ . 1 . 2]" 1
144 1 20 SER HA 1 21 ILE H 2.400 . 3.000 2.413 2.140 3.068 0.068 11 0 "[ . 1 . 2]" 1
145 1 21 ILE H 1 21 ILE HA 2.400 . 3.000 2.849 2.272 2.948 . 0 0 "[ . 1 . 2]" 1
146 1 21 ILE H 1 21 ILE HB 3.400 . 5.000 3.411 2.726 3.796 . 0 0 "[ . 1 . 2]" 1
147 1 21 ILE HA 1 21 ILE MG 3.400 . 5.000 2.674 2.219 3.205 . 0 0 "[ . 1 . 2]" 1
148 1 21 ILE HA 1 22 GLY H 2.750 . 3.700 2.325 2.148 3.218 . 0 0 "[ . 1 . 2]" 1
149 1 21 ILE HA 1 23 LYS H 2.750 . 3.700 3.529 3.133 3.715 0.015 5 0 "[ . 1 . 2]" 1
150 1 22 GLY H 1 22 GLY HA2 2.400 . 3.000 2.673 2.349 2.948 . 0 0 "[ . 1 . 2]" 1
151 1 22 GLY HA2 1 23 LYS H 2.750 . 3.700 3.301 3.058 3.544 . 0 0 "[ . 1 . 2]" 1
152 1 23 LYS H 1 23 LYS HA 2.400 . 3.000 2.750 2.272 2.946 . 0 0 "[ . 1 . 2]" 1
stop_
save_
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