NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
585304 |
2mu6   |
25200 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mu6
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 166
_Distance_constraint_stats_list.Viol_count 80
_Distance_constraint_stats_list.Viol_total 8.168
_Distance_constraint_stats_list.Viol_max 0.668
_Distance_constraint_stats_list.Viol_rms 0.1000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0492
_Distance_constraint_stats_list.Viol_average_violations_only 0.1021
_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 LYS 0.114 0.058 1 0 "[ ]"
1 2 SER 0.247 0.167 1 0 "[ ]"
1 3 MET 0.271 0.140 1 0 "[ ]"
1 4 ILE 0.347 0.117 1 0 "[ ]"
1 5 ASN 0.446 0.153 1 0 "[ ]"
1 6 ALA 0.391 0.153 1 0 "[ ]"
1 7 TYR 0.172 0.073 1 0 "[ ]"
1 8 LEU 0.947 0.563 1 1 [+]
1 9 ASP 0.176 0.064 1 0 "[ ]"
1 10 LYS 0.380 0.096 1 0 "[ ]"
1 11 LEU 1.022 0.595 1 1 [+]
1 12 ASP 0.563 0.218 1 0 "[ ]"
1 13 LEU 0.943 0.668 1 1 [+]
1 14 GLU 0.812 0.204 1 0 "[ ]"
1 15 THR 0.778 0.218 1 0 "[ ]"
1 16 VAL 0.937 0.492 1 0 "[ ]"
1 17 ARG 0.715 0.236 1 0 "[ ]"
1 18 LYS 0.416 0.150 1 0 "[ ]"
1 19 ILE 0.275 0.140 1 0 "[ ]"
1 20 HIS 0.402 0.182 1 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 LYS HA 1 1 LYS HB2 3.500 2.800 3.500 3.128 3.128 3.128 . 0 0 "[ ]" 1
2 1 1 LYS HA 1 1 LYS HB3 3.500 2.800 3.500 2.748 2.748 2.748 0.052 1 0 "[ ]" 1
3 1 1 LYS HA 1 1 LYS QD 3.500 2.800 4.500 4.084 4.084 4.084 . 0 0 "[ ]" 1
4 1 1 LYS HA 1 1 LYS HG2 2.800 . 2.800 2.507 2.507 2.507 . 0 0 "[ ]" 1
5 1 1 LYS HA 1 1 LYS HG3 2.800 . 2.800 2.804 2.804 2.804 0.004 1 0 "[ ]" 1
6 1 1 LYS HA 1 2 SER H 2.800 . 2.800 2.528 2.528 2.528 . 0 0 "[ ]" 1
7 1 1 LYS HA 1 4 ILE H 3.500 2.800 3.500 3.558 3.558 3.558 0.058 1 0 "[ ]" 1
8 1 1 LYS HA 1 5 ASN H 3.500 2.800 3.500 3.091 3.091 3.091 . 0 0 "[ ]" 1
9 1 2 SER H 1 2 SER HA 2.800 . 2.800 2.967 2.967 2.967 0.167 1 0 "[ ]" 1
10 1 2 SER H 1 2 SER QB 2.800 . 3.800 2.538 2.538 2.538 . 0 0 "[ ]" 1
11 1 2 SER H 1 3 MET H 2.800 . 2.800 2.804 2.804 2.804 0.004 1 0 "[ ]" 1
12 1 2 SER H 1 4 ILE H 3.500 2.800 3.500 3.511 3.511 3.511 0.011 1 0 "[ ]" 1
13 1 2 SER HA 1 3 MET H 3.500 2.800 3.500 3.556 3.556 3.556 0.056 1 0 "[ ]" 1
14 1 2 SER HA 1 5 ASN H 5.000 3.500 5.000 5.010 5.010 5.010 0.010 1 0 "[ ]" 1
15 1 3 MET H 1 3 MET HA 2.800 . 2.800 2.940 2.940 2.940 0.140 1 0 "[ ]" 1
16 1 3 MET H 1 3 MET QB 2.800 . 3.800 2.561 2.561 2.561 . 0 0 "[ ]" 1
17 1 3 MET H 1 3 MET HG2 3.500 2.800 3.500 3.531 3.531 3.531 0.031 1 0 "[ ]" 1
18 1 3 MET H 1 3 MET HG3 2.800 . 2.800 2.555 2.555 2.555 . 0 0 "[ ]" 1
19 1 3 MET H 1 4 ILE H 2.800 . 2.800 2.590 2.590 2.590 . 0 0 "[ ]" 1
20 1 3 MET HA 1 3 MET HG2 2.800 . 2.800 2.516 2.516 2.516 . 0 0 "[ ]" 1
21 1 3 MET HA 1 3 MET HG3 3.500 2.800 3.500 3.273 3.273 3.273 . 0 0 "[ ]" 1
22 1 3 MET HA 1 4 ILE H 3.500 2.800 3.500 3.540 3.540 3.540 0.040 1 0 "[ ]" 1
23 1 3 MET HA 1 6 ALA H 5.000 3.500 5.000 4.396 4.396 4.396 . 0 0 "[ ]" 1
24 1 3 MET QB 1 4 ILE H 2.800 . 3.800 2.885 2.885 2.885 . 0 0 "[ ]" 1
25 1 4 ILE H 1 4 ILE HA 2.800 . 2.800 2.917 2.917 2.917 0.117 1 0 "[ ]" 1
26 1 4 ILE H 1 4 ILE HB 3.500 2.800 3.500 2.751 2.751 2.751 0.049 1 0 "[ ]" 1
27 1 4 ILE H 1 4 ILE MG 2.800 . 3.800 2.126 2.126 2.126 . 0 0 "[ ]" 1
28 1 4 ILE H 1 5 ASN H 2.800 . 2.800 2.762 2.762 2.762 . 0 0 "[ ]" 1
29 1 4 ILE HA 1 4 ILE HB 2.800 . 2.800 2.410 2.410 2.410 . 0 0 "[ ]" 1
30 1 4 ILE HA 1 4 ILE MG 2.800 . 3.800 3.293 3.293 3.293 . 0 0 "[ ]" 1
31 1 4 ILE HA 1 5 ASN H 3.500 2.800 3.500 3.555 3.555 3.555 0.055 1 0 "[ ]" 1
32 1 4 ILE HA 1 7 TYR H 3.500 2.800 3.500 3.516 3.516 3.516 0.016 1 0 "[ ]" 1
33 1 5 ASN H 1 5 ASN HA 2.800 . 2.800 2.855 2.855 2.855 0.055 1 0 "[ ]" 1
34 1 5 ASN H 1 5 ASN HB2 3.500 2.800 3.500 3.602 3.602 3.602 0.102 1 0 "[ ]" 1
35 1 5 ASN H 1 5 ASN HB3 2.800 . 2.800 2.426 2.426 2.426 . 0 0 "[ ]" 1
36 1 5 ASN H 1 6 ALA H 2.800 . 2.800 2.830 2.830 2.830 0.030 1 0 "[ ]" 1
37 1 5 ASN HA 1 5 ASN HB2 2.800 . 2.800 2.344 2.344 2.344 . 0 0 "[ ]" 1
38 1 5 ASN HA 1 5 ASN HB3 2.800 . 2.800 2.462 2.462 2.462 . 0 0 "[ ]" 1
39 1 5 ASN HA 1 6 ALA H 3.500 2.800 3.500 3.461 3.461 3.461 . 0 0 "[ ]" 1
40 1 5 ASN HB2 1 6 ALA H 3.500 2.800 3.500 3.542 3.542 3.542 0.042 1 0 "[ ]" 1
41 1 5 ASN HB3 1 6 ALA H 3.500 2.800 3.500 3.653 3.653 3.653 0.153 1 0 "[ ]" 1
42 1 6 ALA H 1 6 ALA HA 2.800 . 2.800 2.884 2.884 2.884 0.084 1 0 "[ ]" 1
43 1 6 ALA H 1 6 ALA MB 2.800 . 3.800 2.341 2.341 2.341 . 0 0 "[ ]" 1
44 1 6 ALA H 1 7 TYR H 2.800 . 2.800 2.860 2.860 2.860 0.060 1 0 "[ ]" 1
45 1 6 ALA HA 1 7 TYR H 3.500 2.800 3.500 3.523 3.523 3.523 0.023 1 0 "[ ]" 1
46 1 6 ALA MB 1 7 TYR H 2.800 . 3.800 2.818 2.818 2.818 . 0 0 "[ ]" 1
47 1 7 TYR H 1 7 TYR HA 3.500 2.800 3.500 2.972 2.972 2.972 . 0 0 "[ ]" 1
48 1 7 TYR H 1 7 TYR QB 2.800 . 3.800 2.631 2.631 2.631 . 0 0 "[ ]" 1
49 1 7 TYR H 1 8 LEU H 3.500 2.800 3.500 2.899 2.899 2.899 . 0 0 "[ ]" 1
50 1 7 TYR HA 1 8 LEU H 3.500 2.800 3.500 3.573 3.573 3.573 0.073 1 0 "[ ]" 1
51 1 7 TYR HA 1 11 LEU H 5.000 3.500 5.000 4.863 4.863 4.863 . 0 0 "[ ]" 1
52 1 8 LEU H 1 8 LEU HA 2.800 . 2.800 2.885 2.885 2.885 0.085 1 0 "[ ]" 1
53 1 8 LEU H 1 8 LEU QB 2.800 . 3.800 2.471 2.471 2.471 . 0 0 "[ ]" 1
54 1 8 LEU H 1 8 LEU QD 3.500 2.800 5.900 3.272 3.272 3.272 . 0 0 "[ ]" 1
55 1 8 LEU H 1 8 LEU HG 2.800 . 2.800 2.542 2.542 2.542 . 0 0 "[ ]" 1
56 1 8 LEU H 1 9 ASP H 3.500 2.800 3.500 3.006 3.006 3.006 . 0 0 "[ ]" 1
57 1 8 LEU HA 1 8 LEU QD 3.500 2.800 5.900 2.237 2.237 2.237 0.563 1 1 [+] 1
58 1 8 LEU HA 1 8 LEU HG 2.800 . 2.800 2.842 2.842 2.842 0.042 1 0 "[ ]" 1
59 1 8 LEU HA 1 9 ASP H 3.500 2.800 3.500 3.474 3.474 3.474 . 0 0 "[ ]" 1
60 1 8 LEU HA 1 11 LEU H 2.800 . 2.800 2.956 2.956 2.956 0.156 1 0 "[ ]" 1
61 1 8 LEU HA 1 12 ASP H 3.500 2.800 3.500 3.528 3.528 3.528 0.028 1 0 "[ ]" 1
62 1 8 LEU QB 1 9 ASP H 2.800 . 3.800 3.190 3.190 3.190 . 0 0 "[ ]" 1
63 1 9 ASP H 1 9 ASP HA 2.800 . 2.800 2.863 2.863 2.863 0.063 1 0 "[ ]" 1
64 1 9 ASP H 1 9 ASP HB2 2.800 . 2.800 2.460 2.460 2.460 . 0 0 "[ ]" 1
65 1 9 ASP H 1 9 ASP HB3 2.800 . 2.800 2.669 2.669 2.669 . 0 0 "[ ]" 1
66 1 9 ASP H 1 10 LYS H 3.500 2.800 3.500 3.028 3.028 3.028 . 0 0 "[ ]" 1
67 1 9 ASP HA 1 9 ASP HB2 2.800 . 2.800 2.545 2.545 2.545 . 0 0 "[ ]" 1
68 1 9 ASP HA 1 9 ASP HB3 3.500 2.800 3.500 3.090 3.090 3.090 . 0 0 "[ ]" 1
69 1 9 ASP HA 1 10 LYS H 3.500 2.800 3.500 3.549 3.549 3.549 0.049 1 0 "[ ]" 1
70 1 9 ASP HB2 1 10 LYS H 3.500 2.800 3.500 3.564 3.564 3.564 0.064 1 0 "[ ]" 1
71 1 9 ASP HB3 1 10 LYS H 2.800 . 2.800 2.135 2.135 2.135 . 0 0 "[ ]" 1
72 1 10 LYS H 1 10 LYS HA 2.800 . 2.800 2.896 2.896 2.896 0.096 1 0 "[ ]" 1
73 1 10 LYS H 1 10 LYS QB 2.800 . 3.800 2.522 2.522 2.522 . 0 0 "[ ]" 1
74 1 10 LYS H 1 10 LYS QD 2.800 . 3.800 2.127 2.127 2.127 . 0 0 "[ ]" 1
75 1 10 LYS H 1 10 LYS QG 2.800 . 3.800 3.446 3.446 3.446 . 0 0 "[ ]" 1
76 1 10 LYS H 1 11 LEU H 3.500 2.800 3.500 3.020 3.020 3.020 . 0 0 "[ ]" 1
77 1 10 LYS HA 1 10 LYS QD 2.800 . 3.800 3.180 3.180 3.180 . 0 0 "[ ]" 1
78 1 10 LYS HA 1 10 LYS QG 2.800 . 3.800 2.484 2.484 2.484 . 0 0 "[ ]" 1
79 1 10 LYS HA 1 11 LEU H 3.500 2.800 3.500 3.563 3.563 3.563 0.063 1 0 "[ ]" 1
80 1 10 LYS HA 1 13 LEU H 3.500 2.800 3.500 3.542 3.542 3.542 0.042 1 0 "[ ]" 1
81 1 10 LYS HA 1 14 GLU H 3.500 2.800 3.500 3.566 3.566 3.566 0.066 1 0 "[ ]" 1
82 1 11 LEU H 1 11 LEU HA 2.800 . 2.800 2.910 2.910 2.910 0.110 1 0 "[ ]" 1
83 1 11 LEU H 1 11 LEU QB 2.800 . 3.800 2.472 2.472 2.472 . 0 0 "[ ]" 1
84 1 11 LEU H 1 11 LEU QD 3.500 2.800 5.900 3.394 3.394 3.394 . 0 0 "[ ]" 1
85 1 11 LEU H 1 11 LEU HG 2.800 . 2.800 2.763 2.763 2.763 . 0 0 "[ ]" 1
86 1 11 LEU H 1 12 ASP H 3.500 2.800 3.500 2.808 2.808 2.808 . 0 0 "[ ]" 1
87 1 11 LEU HA 1 11 LEU QD 3.500 2.800 5.900 2.205 2.205 2.205 0.595 1 1 [+] 1
88 1 11 LEU HA 1 11 LEU HG 2.800 . 2.800 2.822 2.822 2.822 0.022 1 0 "[ ]" 1
89 1 11 LEU HA 1 12 ASP H 3.500 2.800 3.500 3.577 3.577 3.577 0.077 1 0 "[ ]" 1
90 1 11 LEU HA 1 15 THR H 5.000 3.500 5.000 4.716 4.716 4.716 . 0 0 "[ ]" 1
91 1 12 ASP H 1 12 ASP HA 2.800 . 2.800 2.923 2.923 2.923 0.123 1 0 "[ ]" 1
92 1 12 ASP H 1 12 ASP HB2 2.800 . 2.800 2.572 2.572 2.572 . 0 0 "[ ]" 1
93 1 12 ASP H 1 12 ASP HB3 2.800 . 2.800 2.706 2.706 2.706 . 0 0 "[ ]" 1
94 1 12 ASP H 1 13 LEU H 2.800 . 2.800 2.823 2.823 2.823 0.023 1 0 "[ ]" 1
95 1 12 ASP HA 1 12 ASP HB2 2.800 . 2.800 2.585 2.585 2.585 . 0 0 "[ ]" 1
96 1 12 ASP HA 1 12 ASP HB3 3.500 2.800 3.500 3.095 3.095 3.095 . 0 0 "[ ]" 1
97 1 12 ASP HA 1 13 LEU H 3.500 2.800 3.500 3.575 3.575 3.575 0.075 1 0 "[ ]" 1
98 1 12 ASP HA 1 15 THR H 2.800 . 2.800 3.018 3.018 3.018 0.218 1 0 "[ ]" 1
99 1 12 ASP HA 1 16 VAL H 3.500 2.800 3.500 3.519 3.519 3.519 0.019 1 0 "[ ]" 1
100 1 13 LEU H 1 13 LEU HA 2.800 . 2.800 2.864 2.864 2.864 0.064 1 0 "[ ]" 1
101 1 13 LEU H 1 13 LEU QB 2.800 . 3.800 2.535 2.535 2.535 . 0 0 "[ ]" 1
102 1 13 LEU H 1 13 LEU QD 3.500 2.800 4.500 3.326 3.326 3.326 . 0 0 "[ ]" 1
103 1 13 LEU H 1 14 GLU H 3.500 2.800 3.500 2.947 2.947 2.947 . 0 0 "[ ]" 1
104 1 13 LEU HA 1 13 LEU QD 3.500 2.800 4.500 2.132 2.132 2.132 0.668 1 1 [+] 1
105 1 13 LEU HA 1 14 GLU H 3.500 2.800 3.500 3.571 3.571 3.571 0.071 1 0 "[ ]" 1
106 1 13 LEU HA 1 17 ARG H 5.000 3.500 5.000 3.861 3.861 3.861 . 0 0 "[ ]" 1
107 1 14 GLU H 1 14 GLU HA 2.800 . 2.800 2.914 2.914 2.914 0.114 1 0 "[ ]" 1
108 1 14 GLU H 1 14 GLU HB2 2.800 . 2.800 2.404 2.404 2.404 . 0 0 "[ ]" 1
109 1 14 GLU H 1 14 GLU HB3 3.500 2.800 3.500 3.624 3.624 3.624 0.124 1 0 "[ ]" 1
110 1 14 GLU H 1 14 GLU QG 2.800 . 3.800 2.583 2.583 2.583 . 0 0 "[ ]" 1
111 1 14 GLU H 1 15 THR H 2.800 . 2.800 2.825 2.825 2.825 0.025 1 0 "[ ]" 1
112 1 14 GLU H 1 16 VAL H 5.000 3.500 5.000 5.007 5.007 5.007 0.007 1 0 "[ ]" 1
113 1 14 GLU HA 1 14 GLU HB2 2.800 . 2.800 3.004 3.004 3.004 0.204 1 0 "[ ]" 1
114 1 14 GLU HA 1 14 GLU HB3 2.800 . 2.800 2.526 2.526 2.526 . 0 0 "[ ]" 1
115 1 14 GLU HA 1 14 GLU QG 2.800 . 3.800 2.443 2.443 2.443 . 0 0 "[ ]" 1
116 1 14 GLU HA 1 15 THR H 3.500 2.800 3.500 3.588 3.588 3.588 0.088 1 0 "[ ]" 1
117 1 14 GLU HA 1 17 ARG H 3.500 2.800 3.500 3.604 3.604 3.604 0.104 1 0 "[ ]" 1
118 1 14 GLU HA 1 18 LYS H 3.500 2.800 3.500 3.510 3.510 3.510 0.010 1 0 "[ ]" 1
119 1 15 THR H 1 15 THR HA 2.800 . 2.800 2.942 2.942 2.942 0.142 1 0 "[ ]" 1
120 1 15 THR H 1 15 THR HB 3.500 2.800 3.500 3.662 3.662 3.662 0.162 1 0 "[ ]" 1
121 1 15 THR H 1 15 THR MG 2.800 . 3.800 2.877 2.877 2.877 . 0 0 "[ ]" 1
122 1 15 THR H 1 16 VAL H 2.800 . 2.800 2.649 2.649 2.649 . 0 0 "[ ]" 1
123 1 15 THR H 1 17 ARG H 3.500 2.800 3.500 3.563 3.563 3.563 0.063 1 0 "[ ]" 1
124 1 15 THR HA 1 15 THR HB 2.800 . 2.800 2.528 2.528 2.528 . 0 0 "[ ]" 1
125 1 15 THR HA 1 15 THR MG 2.800 . 3.800 2.362 2.362 2.362 . 0 0 "[ ]" 1
126 1 15 THR HA 1 16 VAL H 3.500 2.800 3.500 3.581 3.581 3.581 0.081 1 0 "[ ]" 1
127 1 16 VAL H 1 16 VAL HA 2.800 . 2.800 2.943 2.943 2.943 0.143 1 0 "[ ]" 1
128 1 16 VAL H 1 16 VAL HB 3.500 2.800 3.500 3.645 3.645 3.645 0.145 1 0 "[ ]" 1
129 1 16 VAL H 1 16 VAL QG 2.800 . 5.200 2.059 2.059 2.059 . 0 0 "[ ]" 1
130 1 16 VAL H 1 17 ARG H 2.800 . 2.800 2.813 2.813 2.813 0.013 1 0 "[ ]" 1
131 1 16 VAL H 1 18 LYS H 5.000 3.500 5.000 5.024 5.024 5.024 0.024 1 0 "[ ]" 1
132 1 16 VAL HA 1 16 VAL HB 2.800 . 2.800 2.473 2.473 2.473 . 0 0 "[ ]" 1
133 1 16 VAL HA 1 16 VAL QG 3.500 2.800 5.900 2.308 2.308 2.308 0.492 1 0 "[ ]" 1
134 1 16 VAL HA 1 17 ARG H 3.500 2.800 3.500 3.514 3.514 3.514 0.014 1 0 "[ ]" 1
135 1 17 ARG H 1 17 ARG HA 2.800 . 2.800 2.972 2.972 2.972 0.172 1 0 "[ ]" 1
136 1 17 ARG H 1 17 ARG HB2 3.500 2.800 3.500 3.736 3.736 3.736 0.236 1 0 "[ ]" 1
137 1 17 ARG H 1 17 ARG HB3 3.500 2.800 3.500 2.738 2.738 2.738 0.062 1 0 "[ ]" 1
138 1 17 ARG H 1 17 ARG QG 2.800 . 3.800 3.399 3.399 3.399 . 0 0 "[ ]" 1
139 1 17 ARG H 1 18 LYS H 3.500 2.800 3.500 2.758 2.758 2.758 0.042 1 0 "[ ]" 1
140 1 17 ARG HA 1 17 ARG HB2 2.800 . 2.800 2.117 2.117 2.117 . 0 0 "[ ]" 1
141 1 17 ARG HA 1 17 ARG HB3 2.800 . 2.800 2.809 2.809 2.809 0.009 1 0 "[ ]" 1
142 1 17 ARG HA 1 17 ARG QD 2.800 . 3.800 3.437 3.437 3.437 . 0 0 "[ ]" 1
143 1 17 ARG HA 1 17 ARG QG 2.800 . 3.800 3.491 3.491 3.491 . 0 0 "[ ]" 1
144 1 17 ARG HA 1 18 LYS H 3.500 2.800 3.500 2.853 2.853 2.853 . 0 0 "[ ]" 1
145 1 18 LYS H 1 18 LYS HA 2.800 . 2.800 2.892 2.892 2.892 0.092 1 0 "[ ]" 1
146 1 18 LYS H 1 18 LYS QB 2.800 . 3.800 2.823 2.823 2.823 . 0 0 "[ ]" 1
147 1 18 LYS H 1 18 LYS QD 3.500 2.800 4.500 3.995 3.995 3.995 . 0 0 "[ ]" 1
148 1 18 LYS H 1 18 LYS HG2 5.000 3.500 5.000 3.460 3.460 3.460 0.040 1 0 "[ ]" 1
149 1 18 LYS H 1 18 LYS HG3 2.800 . 2.800 2.157 2.157 2.157 . 0 0 "[ ]" 1
150 1 18 LYS H 1 19 ILE H 3.500 2.800 3.500 2.861 2.861 2.861 . 0 0 "[ ]" 1
151 1 18 LYS HA 1 18 LYS QD 3.500 2.800 4.500 3.957 3.957 3.957 . 0 0 "[ ]" 1
152 1 18 LYS HA 1 18 LYS HG2 5.000 3.500 5.000 4.164 4.164 4.164 . 0 0 "[ ]" 1
153 1 18 LYS HA 1 18 LYS HG3 3.500 2.800 3.500 3.650 3.650 3.650 0.150 1 0 "[ ]" 1
154 1 18 LYS HA 1 19 ILE H 3.500 2.800 3.500 3.558 3.558 3.558 0.058 1 0 "[ ]" 1
155 1 19 ILE H 1 19 ILE HA 2.800 . 2.800 2.940 2.940 2.940 0.140 1 0 "[ ]" 1
156 1 19 ILE H 1 19 ILE HB 3.500 2.800 3.500 2.851 2.851 2.851 . 0 0 "[ ]" 1
157 1 19 ILE H 1 19 ILE MG 2.800 . 3.800 2.101 2.101 2.101 . 0 0 "[ ]" 1
158 1 19 ILE H 1 20 HIS H 2.800 . 2.800 2.811 2.811 2.811 0.011 1 0 "[ ]" 1
159 1 19 ILE HA 1 19 ILE HB 2.800 . 2.800 2.366 2.366 2.366 . 0 0 "[ ]" 1
160 1 19 ILE HA 1 19 ILE MG 2.800 . 3.800 3.299 3.299 3.299 . 0 0 "[ ]" 1
161 1 19 ILE HA 1 20 HIS H 3.500 2.800 3.500 3.565 3.565 3.565 0.065 1 0 "[ ]" 1
162 1 20 HIS H 1 20 HIS HA 2.800 . 2.800 2.944 2.944 2.944 0.144 1 0 "[ ]" 1
163 1 20 HIS H 1 20 HIS HB2 2.800 . 2.800 2.640 2.640 2.640 . 0 0 "[ ]" 1
164 1 20 HIS H 1 20 HIS HB3 2.800 . 2.800 2.616 2.616 2.616 . 0 0 "[ ]" 1
165 1 20 HIS HA 1 20 HIS HB2 2.800 . 2.800 2.470 2.470 2.470 . 0 0 "[ ]" 1
166 1 20 HIS HA 1 20 HIS HB3 2.800 . 2.800 2.982 2.982 2.982 0.182 1 0 "[ ]" 1
stop_
save_
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