NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
587026 |
2mtw   |
25189 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mtw
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 168
_Distance_constraint_stats_list.Viol_count 89
_Distance_constraint_stats_list.Viol_total 36.883
_Distance_constraint_stats_list.Viol_max 1.796
_Distance_constraint_stats_list.Viol_rms 0.3541
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2195
_Distance_constraint_stats_list.Viol_average_violations_only 0.4144
_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 TYR 2.221 0.850 1 1 [+]
1 2 THR 2.529 0.759 1 1 [+]
1 3 ASN 3.098 0.850 1 1 [+]
1 4 GLN 2.410 0.748 1 1 [+]
1 5 ASN 2.366 0.748 1 1 [+]
1 6 ILE 5.050 1.065 1 1 [+]
1 7 ASN 4.278 1.065 1 1 [+]
1 8 ILE 5.386 1.090 1 1 [+]
1 9 SER 5.341 1.090 1 1 [+]
1 10 GLN 2.545 1.190 1 1 [+]
1 11 GLU 1.969 0.754 1 1 [+]
1 12 ARG 2.969 1.356 1 1 [+]
1 13 ASP 4.573 1.190 1 1 [+]
1 14 LEU 1.659 0.728 1 1 [+]
1 15 GLN 0.895 0.430 1 0 "[ ]"
1 16 LYS 5.448 1.796 1 1 [+]
1 17 HIS 4.638 1.796 1 1 [+]
1 18 GLY 1.381 0.762 1 1 [+]
1 19 PHE 1.610 1.462 1 1 [+]
1 20 HIS 0.700 0.406 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 TYR HA 1 1 TYR QB 2.800 . 2.800 2.338 2.338 2.338 . 0 0 "[ ]" 1
2 1 1 TYR HA 1 2 THR H 2.800 . 2.800 3.559 3.559 3.559 0.759 1 1 [+] 1
3 1 1 TYR HA 1 3 ASN H 5.000 3.500 5.000 5.850 5.850 5.850 0.850 1 1 [+] 1
4 1 1 TYR QB 1 2 THR H 3.500 2.800 3.500 2.188 2.188 2.188 0.612 1 1 [+] 1
5 1 2 THR H 1 2 THR HA 3.500 2.800 3.500 2.961 2.961 2.961 . 0 0 "[ ]" 1
6 1 2 THR H 1 2 THR HB 2.800 . 2.800 2.426 2.426 2.426 . 0 0 "[ ]" 1
7 1 2 THR H 1 2 THR MG 2.800 . 3.800 3.877 3.877 3.877 0.077 1 0 "[ ]" 1
8 1 2 THR H 1 3 ASN H 2.800 . 2.800 2.955 2.955 2.955 0.155 1 0 "[ ]" 1
9 1 2 THR HA 1 2 THR HB 2.800 . 2.800 2.985 2.985 2.985 0.185 1 0 "[ ]" 1
10 1 2 THR HA 1 2 THR MG 2.800 . 3.800 2.557 2.557 2.557 . 0 0 "[ ]" 1
11 1 2 THR HA 1 3 ASN H 2.800 . 2.800 3.541 3.541 3.541 0.741 1 1 [+] 1
12 1 3 ASN H 1 3 ASN HA 2.800 . 2.800 2.338 2.338 2.338 . 0 0 "[ ]" 1
13 1 3 ASN H 1 3 ASN QB 2.800 . 2.800 3.561 3.561 3.561 0.761 1 1 [+] 1
14 1 3 ASN H 1 4 GLN H 2.800 . 2.800 2.951 2.951 2.951 0.151 1 0 "[ ]" 1
15 1 3 ASN HA 1 3 ASN QB 2.800 . 2.800 2.379 2.379 2.379 . 0 0 "[ ]" 1
16 1 3 ASN HA 1 4 GLN H 2.800 . 2.800 2.404 2.404 2.404 . 0 0 "[ ]" 1
17 1 3 ASN QB 1 4 GLN H 3.500 2.800 3.500 3.940 3.940 3.940 0.440 1 0 "[ ]" 1
18 1 4 GLN H 1 4 GLN HA 2.800 . 2.800 2.951 2.951 2.951 0.151 1 0 "[ ]" 1
19 1 4 GLN H 1 4 GLN HB2 2.800 . 2.800 2.794 2.794 2.794 . 0 0 "[ ]" 1
20 1 4 GLN H 1 4 GLN HB3 2.800 . 2.800 2.509 2.509 2.509 . 0 0 "[ ]" 1
21 1 4 GLN H 1 4 GLN QG 3.500 2.800 4.500 4.148 4.148 4.148 . 0 0 "[ ]" 1
22 1 4 GLN HA 1 4 GLN HB2 2.800 . 2.800 2.402 2.402 2.402 . 0 0 "[ ]" 1
23 1 4 GLN HA 1 4 GLN HB3 2.800 . 2.800 2.977 2.977 2.977 0.177 1 0 "[ ]" 1
24 1 4 GLN HA 1 4 GLN QG 2.800 . 3.800 3.094 3.094 3.094 . 0 0 "[ ]" 1
25 1 4 GLN HA 1 5 ASN H 2.800 . 2.800 3.548 3.548 3.548 0.748 1 1 [+] 1
26 1 4 GLN HA 1 7 ASN QB 3.500 2.800 4.500 3.551 3.551 3.551 . 0 0 "[ ]" 1
27 1 4 GLN HA 1 8 ILE H 5.000 3.500 5.000 4.456 4.456 4.456 . 0 0 "[ ]" 1
28 1 4 GLN HB2 1 5 ASN H 3.500 2.800 3.500 3.769 3.769 3.769 0.269 1 0 "[ ]" 1
29 1 4 GLN HB3 1 5 ASN H 3.500 2.800 3.500 2.324 2.324 2.324 0.476 1 0 "[ ]" 1
30 1 4 GLN QG 1 5 ASN H 3.500 2.800 4.500 3.258 3.258 3.258 . 0 0 "[ ]" 1
31 1 5 ASN H 1 5 ASN HA 2.800 . 2.800 2.953 2.953 2.953 0.153 1 0 "[ ]" 1
32 1 5 ASN H 1 5 ASN QB 2.800 . 3.800 2.231 2.231 2.231 . 0 0 "[ ]" 1
33 1 5 ASN H 1 5 ASN QD 5.000 3.500 5.000 4.675 4.675 4.675 . 0 0 "[ ]" 1
34 1 5 ASN H 1 6 ILE H 2.800 . 2.800 2.713 2.713 2.713 . 0 0 "[ ]" 1
35 1 5 ASN HA 1 6 ILE H 2.800 . 2.800 3.521 3.521 3.521 0.721 1 1 [+] 1
36 1 5 ASN HA 1 7 ASN H 5.000 3.500 5.000 4.390 4.390 4.390 . 0 0 "[ ]" 1
37 1 5 ASN QB 1 6 ILE H 2.800 . 3.800 2.515 2.515 2.515 . 0 0 "[ ]" 1
38 1 6 ILE H 1 6 ILE HA 2.800 . 2.800 2.816 2.816 2.816 0.016 1 0 "[ ]" 1
39 1 6 ILE H 1 6 ILE HB 2.800 . 2.800 2.592 2.592 2.592 . 0 0 "[ ]" 1
40 1 6 ILE H 1 6 ILE MD 2.800 . 3.800 3.281 3.281 3.281 . 0 0 "[ ]" 1
41 1 6 ILE H 1 6 ILE QG 2.800 2.800 2.800 2.079 2.079 2.079 0.721 1 1 [+] 1
42 1 6 ILE H 1 7 ASN H 2.800 . 2.800 2.906 2.906 2.906 0.106 1 0 "[ ]" 1
43 1 6 ILE HA 1 6 ILE HB 2.800 . 2.800 2.953 2.953 2.953 0.153 1 0 "[ ]" 1
44 1 6 ILE HA 1 6 ILE MD 2.800 . 3.800 2.227 2.227 2.227 . 0 0 "[ ]" 1
45 1 6 ILE HA 1 6 ILE QG 2.800 . 2.800 2.927 2.927 2.927 0.127 1 0 "[ ]" 1
46 1 6 ILE HA 1 7 ASN H 2.800 . 2.800 3.527 3.527 3.527 0.727 1 1 [+] 1
47 1 6 ILE HA 1 8 ILE H 5.000 3.500 5.000 5.031 5.031 5.031 0.031 1 0 "[ ]" 1
48 1 6 ILE HA 1 9 SER H 3.500 2.800 3.500 4.278 4.278 4.278 0.778 1 1 [+] 1
49 1 6 ILE HA 1 10 GLN H 5.000 3.500 5.000 4.736 4.736 4.736 . 0 0 "[ ]" 1
50 1 6 ILE HB 1 6 ILE MD 2.800 . 3.800 3.361 3.361 3.361 . 0 0 "[ ]" 1
51 1 6 ILE HB 1 6 ILE QG 2.800 . 2.800 2.165 2.165 2.165 . 0 0 "[ ]" 1
52 1 6 ILE HB 1 7 ASN H 2.800 . 2.800 2.708 2.708 2.708 . 0 0 "[ ]" 1
53 1 6 ILE MD 1 7 ASN H 2.800 . 3.800 4.865 4.865 4.865 1.065 1 1 [+] 1
54 1 6 ILE QG 1 7 ASN H 3.500 2.800 3.500 4.104 4.104 4.104 0.604 1 1 [+] 1
55 1 7 ASN H 1 7 ASN HA 2.800 . 2.800 2.929 2.929 2.929 0.129 1 0 "[ ]" 1
56 1 7 ASN H 1 7 ASN QB 2.800 . 3.800 2.349 2.349 2.349 . 0 0 "[ ]" 1
57 1 7 ASN H 1 7 ASN QD 5.000 3.500 5.000 4.459 4.459 4.459 . 0 0 "[ ]" 1
58 1 7 ASN H 1 8 ILE H 2.800 . 2.800 2.847 2.847 2.847 0.047 1 0 "[ ]" 1
59 1 7 ASN HA 1 8 ILE H 2.800 . 2.800 3.631 3.631 3.631 0.831 1 1 [+] 1
60 1 7 ASN HA 1 9 SER H 5.000 3.500 5.000 4.280 4.280 4.280 . 0 0 "[ ]" 1
61 1 7 ASN HA 1 10 GLN H 3.500 2.800 3.500 3.564 3.564 3.564 0.064 1 0 "[ ]" 1
62 1 7 ASN HA 1 10 GLN QB 3.500 2.800 4.500 2.634 2.634 2.634 0.166 1 0 "[ ]" 1
63 1 7 ASN QB 1 8 ILE H 2.800 . 3.800 2.795 2.795 2.795 . 0 0 "[ ]" 1
64 1 7 ASN QB 1 9 SER H 3.500 2.800 4.500 5.039 5.039 5.039 0.539 1 1 [+] 1
65 1 8 ILE H 1 8 ILE HA 2.800 . 2.800 2.808 2.808 2.808 0.008 1 0 "[ ]" 1
66 1 8 ILE H 1 8 ILE HB 2.800 . 2.800 3.695 3.695 3.695 0.895 1 1 [+] 1
67 1 8 ILE H 1 8 ILE MD 2.800 . 3.800 3.814 3.814 3.814 0.014 1 0 "[ ]" 1
68 1 8 ILE H 1 8 ILE QG 2.800 . 2.800 2.266 2.266 2.266 . 0 0 "[ ]" 1
69 1 8 ILE H 1 9 SER H 2.800 . 2.800 3.003 3.003 3.003 0.203 1 0 "[ ]" 1
70 1 8 ILE HA 1 8 ILE HB 2.800 . 2.800 2.426 2.426 2.426 . 0 0 "[ ]" 1
71 1 8 ILE HA 1 8 ILE MD 2.800 . 3.800 3.876 3.876 3.876 0.076 1 0 "[ ]" 1
72 1 8 ILE HA 1 8 ILE QG 2.800 . 2.800 3.516 3.516 3.516 0.716 1 1 [+] 1
73 1 8 ILE HA 1 9 SER H 2.800 . 2.800 3.521 3.521 3.521 0.721 1 1 [+] 1
74 1 8 ILE HA 1 11 GLU H 2.800 . 2.800 3.554 3.554 3.554 0.754 1 1 [+] 1
75 1 8 ILE HA 1 11 GLU QB 2.800 . 3.800 2.657 2.657 2.657 . 0 0 "[ ]" 1
76 1 8 ILE HA 1 12 ARG H 5.000 3.500 5.000 4.114 4.114 4.114 . 0 0 "[ ]" 1
77 1 8 ILE HB 1 8 ILE MD 2.800 . 3.800 2.374 2.374 2.374 . 0 0 "[ ]" 1
78 1 8 ILE HB 1 8 ILE QG 2.800 . 2.800 2.513 2.513 2.513 . 0 0 "[ ]" 1
79 1 8 ILE HB 1 9 SER H 2.800 . 2.800 3.890 3.890 3.890 1.090 1 1 [+] 1
80 1 8 ILE MD 1 9 SER H 2.800 . 3.800 2.555 2.555 2.555 . 0 0 "[ ]" 1
81 1 9 SER H 1 9 SER HA 2.800 . 2.800 2.960 2.960 2.960 0.160 1 0 "[ ]" 1
82 1 9 SER H 1 9 SER HB2 2.800 . 2.800 2.487 2.487 2.487 . 0 0 "[ ]" 1
83 1 9 SER H 1 9 SER HB3 2.800 . 2.800 2.794 2.794 2.794 . 0 0 "[ ]" 1
84 1 9 SER HA 1 9 SER HB2 2.800 . 2.800 2.641 2.641 2.641 . 0 0 "[ ]" 1
85 1 9 SER HA 1 9 SER HB3 2.800 . 2.800 3.107 3.107 3.107 0.307 1 0 "[ ]" 1
86 1 9 SER HA 1 10 GLN H 2.800 . 2.800 3.537 3.537 3.537 0.737 1 1 [+] 1
87 1 9 SER HA 1 12 ARG H 2.800 . 2.800 3.590 3.590 3.590 0.790 1 1 [+] 1
88 1 9 SER HA 1 12 ARG QB 3.500 2.800 4.500 2.785 2.785 2.785 0.015 1 0 "[ ]" 1
89 1 10 GLN H 1 10 GLN HA 2.800 . 2.800 2.864 2.864 2.864 0.064 1 0 "[ ]" 1
90 1 10 GLN H 1 10 GLN QB 2.800 . 3.800 2.658 2.658 2.658 . 0 0 "[ ]" 1
91 1 10 GLN H 1 10 GLN QG 2.800 . 2.800 2.347 2.347 2.347 . 0 0 "[ ]" 1
92 1 10 GLN H 1 11 GLU H 2.800 . 2.800 2.880 2.880 2.880 0.080 1 0 "[ ]" 1
93 1 10 GLN H 1 12 ARG H 5.000 3.500 5.000 4.623 4.623 4.623 . 0 0 "[ ]" 1
94 1 10 GLN HA 1 10 GLN QG 2.800 . 2.800 2.396 2.396 2.396 . 0 0 "[ ]" 1
95 1 10 GLN HA 1 11 GLU H 3.500 2.800 3.500 3.523 3.523 3.523 0.023 1 0 "[ ]" 1
96 1 10 GLN HA 1 13 ASP H 2.800 . 2.800 3.990 3.990 3.990 1.190 1 1 [+] 1
97 1 10 GLN HA 1 13 ASP HB2 3.500 2.800 3.500 3.722 3.722 3.722 0.222 1 0 "[ ]" 1
98 1 10 GLN HA 1 13 ASP HB3 3.500 2.800 3.500 3.322 3.322 3.322 . 0 0 "[ ]" 1
99 1 10 GLN QB 1 11 GLU H 2.800 . 3.800 2.720 2.720 2.720 . 0 0 "[ ]" 1
100 1 11 GLU H 1 11 GLU HA 2.800 . 2.800 2.985 2.985 2.985 0.185 1 0 "[ ]" 1
101 1 11 GLU H 1 11 GLU QB 2.800 . 3.800 2.444 2.444 2.444 . 0 0 "[ ]" 1
102 1 11 GLU H 1 11 GLU HG2 3.500 2.800 3.500 3.995 3.995 3.995 0.495 1 0 "[ ]" 1
103 1 11 GLU H 1 11 GLU HG3 3.500 2.800 3.500 2.788 2.788 2.788 0.012 1 0 "[ ]" 1
104 1 11 GLU H 1 12 ARG H 2.800 . 2.800 2.690 2.690 2.690 . 0 0 "[ ]" 1
105 1 11 GLU H 1 13 ASP H 5.000 3.500 5.000 4.195 4.195 4.195 . 0 0 "[ ]" 1
106 1 11 GLU HA 1 11 GLU HG2 2.800 . 2.800 2.541 2.541 2.541 . 0 0 "[ ]" 1
107 1 11 GLU HA 1 11 GLU HG3 2.800 . 2.800 2.865 2.865 2.865 0.065 1 0 "[ ]" 1
108 1 11 GLU HA 1 12 ARG H 3.500 2.800 3.500 3.574 3.574 3.574 0.074 1 0 "[ ]" 1
109 1 11 GLU HA 1 14 LEU H 3.500 2.800 3.500 3.589 3.589 3.589 0.089 1 0 "[ ]" 1
110 1 11 GLU HA 1 14 LEU QB 3.500 2.800 4.500 2.609 2.609 2.609 0.191 1 0 "[ ]" 1
111 1 11 GLU QB 1 12 ARG H 2.800 . 3.800 2.531 2.531 2.531 . 0 0 "[ ]" 1
112 1 12 ARG H 1 12 ARG HA 2.800 . 2.800 2.832 2.832 2.832 0.032 1 0 "[ ]" 1
113 1 12 ARG H 1 12 ARG QB 2.800 . 3.800 2.287 2.287 2.287 . 0 0 "[ ]" 1
114 1 12 ARG H 1 12 ARG QD 3.500 2.800 4.500 4.700 4.700 4.700 0.200 1 0 "[ ]" 1
115 1 12 ARG H 1 12 ARG QG 2.800 . 2.800 4.156 4.156 4.156 1.356 1 1 [+] 1
116 1 12 ARG H 1 13 ASP H 2.800 . 2.800 2.918 2.918 2.918 0.118 1 0 "[ ]" 1
117 1 12 ARG HA 1 12 ARG QD 2.800 . 3.800 2.388 2.388 2.388 . 0 0 "[ ]" 1
118 1 12 ARG HA 1 12 ARG QG 2.800 . 2.800 3.161 3.161 3.161 0.361 1 0 "[ ]" 1
119 1 12 ARG HA 1 13 ASP H 3.500 2.800 3.500 3.524 3.524 3.524 0.024 1 0 "[ ]" 1
120 1 12 ARG HA 1 15 GLN QB 3.500 2.800 4.500 4.218 4.218 4.218 . 0 0 "[ ]" 1
121 1 13 ASP H 1 13 ASP HA 2.800 . 2.800 2.905 2.905 2.905 0.105 1 0 "[ ]" 1
122 1 13 ASP H 1 13 ASP HB2 3.500 2.800 3.500 2.358 2.358 2.358 0.442 1 0 "[ ]" 1
123 1 13 ASP H 1 13 ASP HB3 3.500 2.800 3.500 2.811 2.811 2.811 . 0 0 "[ ]" 1
124 1 13 ASP H 1 14 LEU H 2.800 . 2.800 2.752 2.752 2.752 . 0 0 "[ ]" 1
125 1 13 ASP HA 1 13 ASP HB2 2.800 . 2.800 2.674 2.674 2.674 . 0 0 "[ ]" 1
126 1 13 ASP HA 1 13 ASP HB3 2.800 . 2.800 3.105 3.105 3.105 0.305 1 0 "[ ]" 1
127 1 13 ASP HA 1 14 LEU H 2.800 . 2.800 3.528 3.528 3.528 0.728 1 1 [+] 1
128 1 13 ASP HA 1 16 LYS H 2.800 . 2.800 3.608 3.608 3.608 0.808 1 1 [+] 1
129 1 13 ASP HA 1 16 LYS QB 3.500 2.800 4.500 2.621 2.621 2.621 0.179 1 0 "[ ]" 1
130 1 13 ASP HB2 1 14 LEU H 3.500 2.800 3.500 3.617 3.617 3.617 0.117 1 0 "[ ]" 1
131 1 13 ASP HB3 1 14 LEU H 3.500 2.800 3.500 2.465 2.465 2.465 0.335 1 0 "[ ]" 1
132 1 14 LEU H 1 14 LEU HA 2.800 . 2.800 2.822 2.822 2.822 0.022 1 0 "[ ]" 1
133 1 14 LEU H 1 14 LEU QB 2.800 . 3.800 2.289 2.289 2.289 . 0 0 "[ ]" 1
134 1 14 LEU H 1 14 LEU QD 2.800 . 3.800 3.793 3.793 3.793 . 0 0 "[ ]" 1
135 1 14 LEU H 1 15 GLN H 2.800 . 2.800 2.924 2.924 2.924 0.124 1 0 "[ ]" 1
136 1 14 LEU HA 1 14 LEU QD 2.800 . 3.800 2.210 2.210 2.210 . 0 0 "[ ]" 1
137 1 14 LEU HA 1 15 GLN H 3.500 2.800 3.500 3.552 3.552 3.552 0.052 1 0 "[ ]" 1
138 1 14 LEU MD1 1 14 LEU MD2 2.800 . 4.800 2.162 2.162 2.162 . 0 0 "[ ]" 1
139 1 15 GLN H 1 15 GLN HA 2.800 . 2.800 3.089 3.089 3.089 0.289 1 0 "[ ]" 1
140 1 15 GLN H 1 15 GLN QB 2.800 . 3.800 2.837 2.837 2.837 . 0 0 "[ ]" 1
141 1 15 GLN H 1 15 GLN QG 2.800 . 2.800 3.230 3.230 3.230 0.430 1 0 "[ ]" 1
142 1 15 GLN HA 1 15 GLN QG 2.800 . 2.800 2.335 2.335 2.335 . 0 0 "[ ]" 1
143 1 15 GLN HA 1 16 LYS H 3.500 2.800 3.500 2.810 2.810 2.810 . 0 0 "[ ]" 1
144 1 16 LYS H 1 16 LYS HA 2.800 . 2.800 2.799 2.799 2.799 . 0 0 "[ ]" 1
145 1 16 LYS H 1 16 LYS QB 2.800 . 3.800 2.248 2.248 2.248 . 0 0 "[ ]" 1
146 1 16 LYS H 1 16 LYS QD 2.800 . 3.800 4.887 4.887 4.887 1.087 1 1 [+] 1
147 1 16 LYS H 1 16 LYS QG 2.800 . 2.800 4.106 4.106 4.106 1.306 1 1 [+] 1
148 1 16 LYS H 1 17 HIS H 2.800 . 2.800 4.596 4.596 4.596 1.796 1 1 [+] 1
149 1 16 LYS HA 1 16 LYS QD 2.800 . 3.800 4.072 4.072 4.072 0.272 1 0 "[ ]" 1
150 1 16 LYS HA 1 16 LYS QG 2.800 . 2.800 2.722 2.722 2.722 . 0 0 "[ ]" 1
151 1 16 LYS HA 1 17 HIS H 2.800 . 2.800 2.090 2.090 2.090 . 0 0 "[ ]" 1
152 1 16 LYS QB 1 16 LYS QD 2.800 . 4.800 2.393 2.393 2.393 . 0 0 "[ ]" 1
153 1 17 HIS H 1 17 HIS HA 3.500 2.800 3.500 3.051 3.051 3.051 . 0 0 "[ ]" 1
154 1 17 HIS H 1 17 HIS QB 2.800 . 2.800 2.396 2.396 2.396 . 0 0 "[ ]" 1
155 1 17 HIS H 1 18 GLY H 2.800 . 2.800 2.638 2.638 2.638 . 0 0 "[ ]" 1
156 1 17 HIS HA 1 17 HIS QB 2.800 . 2.800 2.465 2.465 2.465 . 0 0 "[ ]" 1
157 1 17 HIS HA 1 18 GLY H 2.800 . 2.800 3.562 3.562 3.562 0.762 1 1 [+] 1
158 1 17 HIS HA 1 19 PHE H 5.000 3.500 5.000 6.462 6.462 6.462 1.462 1 1 [+] 1
159 1 17 HIS QB 1 18 GLY H 3.500 2.800 3.500 2.182 2.182 2.182 0.618 1 1 [+] 1
160 1 19 PHE H 1 19 PHE HA 2.800 . 2.800 2.948 2.948 2.948 0.148 1 0 "[ ]" 1
161 1 19 PHE H 1 19 PHE QB 2.800 . 3.800 2.405 2.405 2.405 . 0 0 "[ ]" 1
162 1 19 PHE HA 1 20 HIS H 2.800 . 2.800 2.243 2.243 2.243 . 0 0 "[ ]" 1
163 1 19 PHE QB 1 20 HIS H 3.500 2.800 4.500 4.039 4.039 4.039 . 0 0 "[ ]" 1
164 1 20 HIS H 1 20 HIS HA 3.500 2.800 3.500 2.921 2.921 2.921 . 0 0 "[ ]" 1
165 1 20 HIS H 1 20 HIS HB2 3.500 2.800 3.500 2.394 2.394 2.394 0.406 1 0 "[ ]" 1
166 1 20 HIS H 1 20 HIS HB3 3.500 2.800 3.500 3.603 3.603 3.603 0.103 1 0 "[ ]" 1
167 1 20 HIS HA 1 20 HIS HB2 2.800 . 2.800 2.991 2.991 2.991 0.191 1 0 "[ ]" 1
168 1 20 HIS HA 1 20 HIS HB3 2.800 . 2.800 2.503 2.503 2.503 . 0 0 "[ ]" 1
stop_
save_
Contact the webmaster for help, if required. Thursday, May 23, 2024 2:00:29 PM GMT (wattos1)