NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
563911 |
2m9i   |
19295 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m9i
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 228
_Distance_constraint_stats_list.Viol_count 560
_Distance_constraint_stats_list.Viol_total 474.922
_Distance_constraint_stats_list.Viol_max 0.359
_Distance_constraint_stats_list.Viol_rms 0.0216
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0058
_Distance_constraint_stats_list.Viol_average_violations_only 0.0446
_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 LEU 2.984 0.143 14 0 "[ . 1 . ]"
1 3 PRO 7.156 0.257 14 0 "[ . 1 . ]"
1 4 PRO 0.246 0.104 16 0 "[ . 1 . ]"
1 5 GLY 0.246 0.104 16 0 "[ . 1 . ]"
1 6 TRP 5.970 0.143 14 0 "[ . 1 . ]"
1 7 GLU 0.053 0.017 11 0 "[ . 1 . ]"
1 8 LYS 0.943 0.091 10 0 "[ . 1 . ]"
1 9 ARG 0.251 0.091 10 0 "[ . 1 . ]"
1 10 MET 1.017 0.067 19 0 "[ . 1 . ]"
1 11 PHE 0.288 0.067 19 0 "[ . 1 . ]"
1 14 ASN 0.115 0.023 16 0 "[ . 1 . ]"
1 15 GLY 0.493 0.049 10 0 "[ . 1 . ]"
1 16 THR 0.806 0.088 16 0 "[ . 1 . ]"
1 17 VAL 2.487 0.359 19 0 "[ . 1 . ]"
1 18 TYR 1.821 0.101 12 0 "[ . 1 . ]"
1 19 TYR 0.922 0.085 10 0 "[ . 1 . ]"
1 20 PHE 1.618 0.085 10 0 "[ . 1 . ]"
1 21 ASN 0.168 0.041 11 0 "[ . 1 . ]"
1 22 HIS 0.408 0.037 15 0 "[ . 1 . ]"
1 23 ILE 0.105 0.023 16 0 "[ . 1 . ]"
1 24 THR 1.240 0.107 1 0 "[ . 1 . ]"
1 25 ASN 1.341 0.107 1 0 "[ . 1 . ]"
1 26 ALA 0.111 0.041 11 0 "[ . 1 . ]"
1 27 SER 0.575 0.059 11 0 "[ . 1 . ]"
1 28 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 29 PHE 0.272 0.025 16 0 "[ . 1 . ]"
1 30 GLU 1.272 0.165 13 0 "[ . 1 . ]"
1 31 ARG 0.985 0.165 13 0 "[ . 1 . ]"
1 32 PRO 11.889 0.257 14 0 "[ . 1 . ]"
1 33 SER 2.207 0.212 6 0 "[ . 1 . ]"
1 34 GLY 0.223 0.117 11 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 8 LYS H 1 8 LYS HB2 . . 4.000 2.761 2.066 2.976 . 0 0 "[ . 1 . ]" 1
2 1 8 LYS H 1 8 LYS HB3 . . 4.000 2.122 2.033 2.436 . 0 0 "[ . 1 . ]" 1
3 1 11 PHE H 1 11 PHE HB2 . . 4.000 2.338 2.256 2.534 . 0 0 "[ . 1 . ]" 1
4 1 11 PHE H 1 11 PHE HB3 . . 4.000 2.567 2.422 2.760 . 0 0 "[ . 1 . ]" 1
5 1 14 ASN H 1 14 ASN HB2 . . 4.000 3.979 3.874 4.023 0.023 16 0 "[ . 1 . ]" 1
6 1 14 ASN H 1 14 ASN HB3 . . 4.270 3.393 3.313 3.458 . 0 0 "[ . 1 . ]" 1
7 1 17 VAL H 1 17 VAL HB . . 3.000 2.430 2.342 3.359 0.359 19 0 "[ . 1 . ]" 1
8 1 18 TYR H 1 18 TYR HB3 . . 4.000 3.292 3.139 3.393 . 0 0 "[ . 1 . ]" 1
9 1 20 PHE H 1 20 PHE HB3 . . 4.000 2.490 2.418 2.609 . 0 0 "[ . 1 . ]" 1
10 1 20 PHE H 1 20 PHE HB2 . . 4.000 3.130 3.085 3.182 . 0 0 "[ . 1 . ]" 1
11 1 23 ILE H 1 23 ILE HB . . 3.000 2.525 2.461 2.644 . 0 0 "[ . 1 . ]" 1
12 1 24 THR H 1 24 THR HB . . 4.000 3.736 3.697 3.760 . 0 0 "[ . 1 . ]" 1
13 1 25 ASN H 1 25 ASN HB2 . . 4.000 3.608 3.166 3.975 . 0 0 "[ . 1 . ]" 1
14 1 30 GLU H 1 30 GLU HB2 . . 4.000 2.595 2.172 2.976 . 0 0 "[ . 1 . ]" 1
15 1 30 GLU H 1 30 GLU HB3 . . 4.000 2.781 2.100 3.558 . 0 0 "[ . 1 . ]" 1
16 1 22 HIS HA 1 22 HIS HB3 . . 3.000 2.581 2.508 2.615 . 0 0 "[ . 1 . ]" 1
17 1 22 HIS HA 1 22 HIS HB2 . . 3.000 2.299 2.274 2.345 . 0 0 "[ . 1 . ]" 1
18 1 24 THR HA 1 24 THR HB . . 3.000 2.429 2.363 2.469 . 0 0 "[ . 1 . ]" 1
19 1 25 ASN HA 1 25 ASN HB2 . . 3.000 2.748 2.192 3.026 0.026 18 0 "[ . 1 . ]" 1
20 1 25 ASN HA 1 25 ASN HB3 . . 3.000 2.661 2.384 3.015 0.015 9 0 "[ . 1 . ]" 1
21 1 29 PHE HA 1 29 PHE HB2 . . 3.000 3.013 2.983 3.025 0.025 16 0 "[ . 1 . ]" 1
22 1 29 PHE HA 1 29 PHE HB3 . . 3.000 2.503 2.411 2.631 . 0 0 "[ . 1 . ]" 1
23 1 30 GLU HA 1 30 GLU HB2 . . 3.000 2.600 2.302 3.033 0.033 14 0 "[ . 1 . ]" 1
24 1 30 GLU HA 1 30 GLU HB3 . . 3.000 2.891 2.305 3.038 0.038 9 0 "[ . 1 . ]" 1
25 1 6 TRP HA 1 6 TRP HZ3 . . 5.000 4.998 4.803 5.062 0.062 6 0 "[ . 1 . ]" 1
26 1 6 TRP HA 1 6 TRP HD1 . . 5.000 4.247 4.191 4.341 . 0 0 "[ . 1 . ]" 1
27 1 18 TYR H 1 18 TYR QD . . 4.000 2.851 2.566 3.056 . 0 0 "[ . 1 . ]" 1
28 1 19 TYR H 1 19 TYR QD . . 4.000 3.458 3.279 3.597 . 0 0 "[ . 1 . ]" 1
29 1 20 PHE HA 1 20 PHE QD . . 4.000 2.868 2.756 3.118 . 0 0 "[ . 1 . ]" 1
30 1 20 PHE H 1 20 PHE QD . . 5.000 4.194 4.083 4.311 . 0 0 "[ . 1 . ]" 1
31 1 24 THR H 1 24 THR MG . . 4.000 2.654 2.506 2.764 . 0 0 "[ . 1 . ]" 1
32 1 29 PHE H 1 29 PHE QD . . 4.000 3.063 2.806 3.347 . 0 0 "[ . 1 . ]" 1
33 1 5 GLY H 1 6 TRP H . . 4.000 2.851 2.697 3.038 . 0 0 "[ . 1 . ]" 1
34 1 7 GLU H 1 8 LYS H . . 5.000 4.427 4.338 4.464 . 0 0 "[ . 1 . ]" 1
35 1 8 LYS H 1 9 ARG H . . 5.000 4.619 4.530 4.655 . 0 0 "[ . 1 . ]" 1
36 1 9 ARG H 1 10 MET H . . 5.000 4.436 4.395 4.502 . 0 0 "[ . 1 . ]" 1
37 1 14 ASN H 1 15 GLY H . . 4.000 1.956 1.874 2.032 . 0 0 "[ . 1 . ]" 1
38 1 15 GLY H 1 16 THR H . . 4.000 2.434 2.377 2.516 . 0 0 "[ . 1 . ]" 1
39 1 16 THR H 1 17 VAL H . . 4.500 4.532 4.488 4.588 0.088 16 0 "[ . 1 . ]" 1
40 1 18 TYR H 1 19 TYR H . . 4.500 4.400 4.365 4.436 . 0 0 "[ . 1 . ]" 1
41 1 20 PHE H 1 21 ASN H . . 5.000 4.327 4.256 4.394 . 0 0 "[ . 1 . ]" 1
42 1 22 HIS H 1 23 ILE H . . 4.000 2.876 2.785 2.998 . 0 0 "[ . 1 . ]" 1
43 1 23 ILE H 1 24 THR H . . 3.000 2.054 1.952 2.135 . 0 0 "[ . 1 . ]" 1
44 1 24 THR H 1 25 ASN H . . 3.000 2.164 2.076 2.275 . 0 0 "[ . 1 . ]" 1
45 1 25 ASN H 1 26 ALA H . . 4.000 2.626 2.536 2.742 . 0 0 "[ . 1 . ]" 1
46 1 29 PHE H 1 30 GLU H . . 4.000 2.361 1.918 2.755 . 0 0 "[ . 1 . ]" 1
47 1 30 GLU H 1 31 ARG H . . 5.000 4.577 4.508 4.653 . 0 0 "[ . 1 . ]" 1
48 1 33 SER H 1 34 GLY H . . 4.000 3.059 2.096 4.117 0.117 11 0 "[ . 1 . ]" 1
49 1 6 TRP HA 1 7 GLU H . . 3.000 2.173 2.105 2.225 . 0 0 "[ . 1 . ]" 1
50 1 7 GLU HA 1 8 LYS H . . 3.000 2.286 2.090 2.361 . 0 0 "[ . 1 . ]" 1
51 1 9 ARG HA 1 10 MET H . . 3.000 2.512 2.466 2.584 . 0 0 "[ . 1 . ]" 1
52 1 14 ASN HA 1 15 GLY H . . 4.000 3.572 3.532 3.603 . 0 0 "[ . 1 . ]" 1
53 1 15 GLY HA2 1 16 THR H . . 4.000 3.308 3.265 3.419 . 0 0 "[ . 1 . ]" 1
54 1 15 GLY HA3 1 16 THR H . . 4.000 3.415 3.329 3.452 . 0 0 "[ . 1 . ]" 1
55 1 17 VAL HA 1 18 TYR H . . 3.000 2.143 2.056 2.313 . 0 0 "[ . 1 . ]" 1
56 1 20 PHE HA 1 21 ASN H . . 4.000 2.202 2.158 2.259 . 0 0 "[ . 1 . ]" 1
57 1 21 ASN HA 1 22 HIS H . . 3.000 2.180 2.148 2.204 . 0 0 "[ . 1 . ]" 1
58 1 23 ILE HA 1 24 THR H . . 4.000 3.539 3.496 3.598 . 0 0 "[ . 1 . ]" 1
59 1 25 ASN HA 1 26 ALA H . . 4.000 3.232 3.111 3.309 . 0 0 "[ . 1 . ]" 1
60 1 26 ALA HA 1 27 SER H . . 3.000 2.426 2.238 2.552 . 0 0 "[ . 1 . ]" 1
61 1 27 SER HA 1 28 GLN H . . 4.000 2.267 2.211 2.351 . 0 0 "[ . 1 . ]" 1
62 1 28 GLN HA 1 29 PHE H . . 4.000 2.371 2.287 2.541 . 0 0 "[ . 1 . ]" 1
63 1 30 GLU HA 1 31 ARG H . . 3.000 2.179 2.077 2.328 . 0 0 "[ . 1 . ]" 1
64 1 32 PRO HA 1 33 SER H . . 3.000 2.767 2.153 3.212 0.212 6 0 "[ . 1 . ]" 1
65 1 4 PRO HB2 1 5 GLY H . . 4.000 3.554 3.268 4.104 0.104 16 0 "[ . 1 . ]" 1
66 1 4 PRO HB3 1 5 GLY H . . 4.000 3.763 3.397 3.975 . 0 0 "[ . 1 . ]" 1
67 1 6 TRP HB2 1 7 GLU H . . 4.500 4.390 4.282 4.467 . 0 0 "[ . 1 . ]" 1
68 1 6 TRP HB3 1 7 GLU H . . 4.000 3.420 3.202 3.558 . 0 0 "[ . 1 . ]" 1
69 1 8 LYS HB2 1 9 ARG H . . 4.000 3.883 3.768 4.091 0.091 10 0 "[ . 1 . ]" 1
70 1 8 LYS HB3 1 9 ARG H . . 4.500 4.316 3.934 4.401 . 0 0 "[ . 1 . ]" 1
71 1 17 VAL HB 1 18 TYR H . . 4.000 3.974 2.417 4.101 0.101 12 0 "[ . 1 . ]" 1
72 1 19 TYR HB2 1 20 PHE H . . 4.000 4.044 4.013 4.085 0.085 10 0 "[ . 1 . ]" 1
73 1 19 TYR HB3 1 20 PHE H . . 4.000 2.795 2.708 2.897 . 0 0 "[ . 1 . ]" 1
74 1 20 PHE HB3 1 21 ASN H . . 5.000 4.302 4.136 4.376 . 0 0 "[ . 1 . ]" 1
75 1 20 PHE HB2 1 21 ASN H . . 4.500 4.256 4.091 4.333 . 0 0 "[ . 1 . ]" 1
76 1 23 ILE HB 1 24 THR H . . 3.000 2.967 2.839 3.023 0.023 16 0 "[ . 1 . ]" 1
77 1 24 THR HB 1 25 ASN H . . 4.000 4.035 3.939 4.107 0.107 1 0 "[ . 1 . ]" 1
78 1 25 ASN HB2 1 26 ALA H . . 5.000 4.295 3.856 4.774 . 0 0 "[ . 1 . ]" 1
79 1 25 ASN HB3 1 26 ALA H . . 5.000 4.374 4.038 4.696 . 0 0 "[ . 1 . ]" 1
80 1 26 ALA MB 1 27 SER H . . 5.000 2.584 2.364 3.019 . 0 0 "[ . 1 . ]" 1
81 1 30 GLU HB2 1 31 ARG H . . 4.000 4.010 3.804 4.165 0.165 13 0 "[ . 1 . ]" 1
82 1 30 GLU HB3 1 31 ARG H . . 4.500 3.729 2.875 4.327 . 0 0 "[ . 1 . ]" 1
83 1 32 PRO HB3 1 33 SER H . . 4.000 3.394 2.334 4.137 0.137 15 0 "[ . 1 . ]" 1
84 1 32 PRO HB2 1 33 SER H . . 4.000 2.983 2.131 4.086 0.086 15 0 "[ . 1 . ]" 1
85 1 7 GLU HB2 1 8 LYS H . . 4.500 4.201 3.826 4.322 . 0 0 "[ . 1 . ]" 1
86 1 7 GLU HG2 1 8 LYS H . . 4.000 3.274 2.584 3.795 . 0 0 "[ . 1 . ]" 1
87 1 7 GLU HG3 1 8 LYS H . . 4.500 4.078 2.230 4.387 . 0 0 "[ . 1 . ]" 1
88 1 8 LYS HG2 1 9 ARG H . . 4.000 2.728 2.526 2.891 . 0 0 "[ . 1 . ]" 1
89 1 10 MET HG2 1 11 PHE H . . 4.000 2.871 2.333 3.137 . 0 0 "[ . 1 . ]" 1
90 1 10 MET HG3 1 11 PHE H . . 4.000 3.232 2.950 4.067 0.067 19 0 "[ . 1 . ]" 1
91 1 16 THR MG 1 17 VAL HA . . 5.000 4.184 4.164 4.226 . 0 0 "[ . 1 . ]" 1
92 1 17 VAL MG1 1 18 TYR H . . 5.000 2.411 2.269 3.713 . 0 0 "[ . 1 . ]" 1
93 1 17 VAL MG2 1 18 TYR H . . 5.000 3.547 3.357 3.643 . 0 0 "[ . 1 . ]" 1
94 1 17 VAL HA 1 18 TYR QD . . 4.000 3.211 2.994 3.398 . 0 0 "[ . 1 . ]" 1
95 1 18 TYR QD 1 19 TYR H . . 4.000 2.508 2.438 2.616 . 0 0 "[ . 1 . ]" 1
96 1 19 TYR QD 1 20 PHE H . . 4.500 3.482 3.142 3.807 . 0 0 "[ . 1 . ]" 1
97 1 24 THR MG 1 25 ASN H . . 5.000 4.106 4.042 4.172 . 0 0 "[ . 1 . ]" 1
98 1 23 ILE H 1 24 THR MG . . 5.000 3.922 3.789 3.973 . 0 0 "[ . 1 . ]" 1
99 1 9 ARG H 1 19 TYR HA . . 4.000 2.927 2.717 3.023 . 0 0 "[ . 1 . ]" 1
100 1 9 ARG H 1 18 TYR H . . 4.000 2.876 2.663 3.016 . 0 0 "[ . 1 . ]" 1
101 1 9 ARG H 1 20 PHE H . . 4.500 4.457 4.208 4.525 0.025 5 0 "[ . 1 . ]" 1
102 1 10 MET HA 1 18 TYR H . . 4.000 3.286 3.133 3.397 . 0 0 "[ . 1 . ]" 1
103 1 11 PHE H 1 16 THR H . . 5.000 3.647 3.543 3.746 . 0 0 "[ . 1 . ]" 1
104 1 11 PHE H 1 18 TYR H . . 5.000 4.515 4.295 4.708 . 0 0 "[ . 1 . ]" 1
105 1 8 LYS HG2 1 18 TYR H . . 4.000 4.039 4.008 4.085 0.085 9 0 "[ . 1 . ]" 1
106 1 9 ARG QB 1 18 TYR H . . 6.000 3.898 3.667 4.390 . 0 0 "[ . 1 . ]" 1
107 1 10 MET HG2 1 15 GLY HA2 . . 3.000 2.306 2.169 2.546 . 0 0 "[ . 1 . ]" 1
108 1 10 MET HG2 1 15 GLY HA3 . . 4.000 3.950 3.714 4.014 0.014 13 0 "[ . 1 . ]" 1
109 1 10 MET HG3 1 15 GLY HA3 . . 4.000 4.022 4.002 4.049 0.049 10 0 "[ . 1 . ]" 1
110 1 10 MET HG2 1 17 VAL HA . . 4.500 4.425 3.523 4.542 0.042 18 0 "[ . 1 . ]" 1
111 1 10 MET HG3 1 17 VAL HA . . 4.500 3.379 3.139 4.543 0.043 19 0 "[ . 1 . ]" 1
112 1 11 PHE HB2 1 15 GLY H . . 5.000 4.862 4.683 4.990 . 0 0 "[ . 1 . ]" 1
113 1 11 PHE HB3 1 15 GLY H . . 5.000 3.267 3.154 3.403 . 0 0 "[ . 1 . ]" 1
114 1 11 PHE HB2 1 16 THR H . . 4.000 3.996 3.916 4.035 0.035 19 0 "[ . 1 . ]" 1
115 1 11 PHE HB3 1 16 THR H . . 3.000 2.551 2.420 2.798 . 0 0 "[ . 1 . ]" 1
116 1 11 PHE H 1 16 THR MG . . 6.000 4.360 4.221 4.542 . 0 0 "[ . 1 . ]" 1
117 1 9 ARG H 1 17 VAL MG1 . . 5.600 3.262 3.100 4.671 . 0 0 "[ . 1 . ]" 1
118 1 9 ARG H 1 17 VAL MG2 . . 5.600 4.699 4.680 4.739 . 0 0 "[ . 1 . ]" 1
119 1 10 MET HA 1 17 VAL MG1 . . 5.600 3.880 2.450 4.048 . 0 0 "[ . 1 . ]" 1
120 1 11 PHE H 1 17 VAL MG2 . . 6.000 4.407 4.170 5.150 . 0 0 "[ . 1 . ]" 1
121 1 7 GLU H 1 20 PHE HB2 . . 5.600 5.170 5.040 5.302 . 0 0 "[ . 1 . ]" 1
122 1 10 MET HA 1 18 TYR QD . . 4.000 2.949 2.766 3.329 . 0 0 "[ . 1 . ]" 1
123 1 18 TYR QD 1 20 PHE HA . . 5.000 4.419 4.255 4.516 . 0 0 "[ . 1 . ]" 1
124 1 20 PHE QD 1 22 HIS HA . . 4.000 3.058 2.957 3.301 . 0 0 "[ . 1 . ]" 1
125 1 20 PHE QE 1 22 HIS HA . . 4.000 2.223 2.082 2.320 . 0 0 "[ . 1 . ]" 1
126 1 20 PHE HZ 1 22 HIS HA . . 4.000 3.931 3.709 4.037 0.037 15 0 "[ . 1 . ]" 1
127 1 20 PHE HZ 1 25 ASN H . . 4.500 4.508 4.473 4.540 0.040 5 0 "[ . 1 . ]" 1
128 1 20 PHE HB2 1 27 SER HA . . 4.000 4.022 3.933 4.059 0.059 11 0 "[ . 1 . ]" 1
129 1 6 TRP HA 1 22 HIS HD2 . . 5.000 4.785 4.659 4.875 . 0 0 "[ . 1 . ]" 1
130 1 7 GLU HA 1 22 HIS HD2 . . 5.000 4.854 4.517 5.017 0.017 11 0 "[ . 1 . ]" 1
131 1 24 THR MG 1 26 ALA H . . 5.000 4.076 4.024 4.123 . 0 0 "[ . 1 . ]" 1
132 1 19 TYR H 1 29 PHE QD . . 5.000 4.449 4.300 4.513 . 0 0 "[ . 1 . ]" 1
133 1 7 GLU HG2 1 22 HIS HD2 . . 5.000 4.194 3.679 4.915 . 0 0 "[ . 1 . ]" 1
134 1 7 GLU HG3 1 22 HIS HD2 . . 5.000 3.574 3.222 5.016 0.016 15 0 "[ . 1 . ]" 1
135 1 9 ARG QB 1 20 PHE QD . . 6.000 4.671 4.161 4.812 . 0 0 "[ . 1 . ]" 1
136 1 9 ARG HG2 1 20 PHE QD . . 5.000 4.061 3.787 4.518 . 0 0 "[ . 1 . ]" 1
137 1 9 ARG HG3 1 20 PHE QD . . 5.000 3.632 3.407 3.816 . 0 0 "[ . 1 . ]" 1
138 1 16 THR MG 1 29 PHE QD . . 5.000 3.301 2.632 3.725 . 0 0 "[ . 1 . ]" 1
139 1 18 TYR QD 1 29 PHE QD . . 5.000 3.957 3.731 4.044 . 0 0 "[ . 1 . ]" 1
140 1 20 PHE QD 1 22 HIS HB3 . . 4.000 2.770 2.466 2.947 . 0 0 "[ . 1 . ]" 1
141 1 20 PHE QD 1 22 HIS HB2 . . 4.000 3.608 3.590 3.627 . 0 0 "[ . 1 . ]" 1
142 1 4 PRO HA 1 6 TRP H . . 4.000 3.531 3.287 3.982 . 0 0 "[ . 1 . ]" 1
143 1 6 TRP HA 1 21 ASN HA . . 4.000 2.050 1.989 2.288 . 0 0 "[ . 1 . ]" 1
144 1 6 TRP HA 1 22 HIS H . . 4.000 3.301 3.099 3.524 . 0 0 "[ . 1 . ]" 1
145 1 7 GLU H 1 20 PHE H . . 4.000 2.692 2.560 2.874 . 0 0 "[ . 1 . ]" 1
146 1 7 GLU H 1 21 ASN HA . . 4.000 3.374 3.258 3.514 . 0 0 "[ . 1 . ]" 1
147 1 7 GLU H 1 22 HIS H . . 5.000 3.602 3.420 3.862 . 0 0 "[ . 1 . ]" 1
148 1 8 LYS HA 1 19 TYR HA . . 4.000 2.510 2.365 2.659 . 0 0 "[ . 1 . ]" 1
149 1 8 LYS HA 1 20 PHE H . . 4.000 3.905 3.762 3.999 . 0 0 "[ . 1 . ]" 1
150 1 19 TYR H 1 27 SER HA . . 5.000 4.945 4.746 5.020 0.020 9 0 "[ . 1 . ]" 1
151 1 19 TYR H 1 28 GLN H . . 5.000 3.176 3.023 3.328 . 0 0 "[ . 1 . ]" 1
152 1 20 PHE H 1 27 SER HA . . 5.600 4.830 4.612 4.997 . 0 0 "[ . 1 . ]" 1
153 1 20 PHE HA 1 27 SER HA . . 4.000 2.316 2.115 2.486 . 0 0 "[ . 1 . ]" 1
154 1 20 PHE HA 1 28 GLN H . . 5.000 3.672 3.584 3.856 . 0 0 "[ . 1 . ]" 1
155 1 21 ASN HA 1 23 ILE H . . 4.000 3.532 3.435 3.643 . 0 0 "[ . 1 . ]" 1
156 1 21 ASN H 1 27 SER HA . . 4.000 3.365 3.115 3.622 . 0 0 "[ . 1 . ]" 1
157 1 22 HIS H 1 24 THR H . . 4.500 4.512 4.469 4.530 0.030 11 0 "[ . 1 . ]" 1
158 1 23 ILE H 1 25 ASN H . . 4.000 3.376 3.283 3.437 . 0 0 "[ . 1 . ]" 1
159 1 23 ILE HA 1 25 ASN H . . 5.000 4.760 4.544 4.885 . 0 0 "[ . 1 . ]" 1
160 1 2 LEU HB2 1 6 TRP H . . 5.500 5.250 4.180 5.609 0.109 9 0 "[ . 1 . ]" 1
161 1 2 LEU HB3 1 6 TRP H . . 6.000 5.786 4.136 6.143 0.143 14 0 "[ . 1 . ]" 1
162 1 3 PRO HA 1 6 TRP HE1 . . 6.000 5.609 5.489 5.796 . 0 0 "[ . 1 . ]" 1
163 1 8 LYS H 1 19 TYR QD . . 4.500 4.022 3.752 4.068 . 0 0 "[ . 1 . ]" 1
164 1 8 LYS H 1 19 TYR QE . . 4.000 3.409 3.133 3.566 . 0 0 "[ . 1 . ]" 1
165 1 9 ARG H 1 19 TYR QD . . 4.500 4.018 3.746 4.119 . 0 0 "[ . 1 . ]" 1
166 1 9 ARG H 1 19 TYR QE . . 5.600 4.884 4.624 5.010 . 0 0 "[ . 1 . ]" 1
167 1 19 TYR HB3 1 28 GLN H . . 5.000 4.378 4.076 4.591 . 0 0 "[ . 1 . ]" 1
168 1 7 GLU H 1 20 PHE HB3 . . 4.000 3.824 3.677 3.953 . 0 0 "[ . 1 . ]" 1
169 1 6 TRP HA 1 21 ASN HB2 . . 5.000 3.653 3.538 3.800 . 0 0 "[ . 1 . ]" 1
170 1 21 ASN HB2 1 26 ALA H . . 4.000 3.924 3.699 4.041 0.041 11 0 "[ . 1 . ]" 1
171 1 21 ASN HB3 1 26 ALA H . . 4.000 2.364 2.202 2.489 . 0 0 "[ . 1 . ]" 1
172 1 4 PRO HA 1 23 ILE MD . . 6.000 4.643 3.422 5.042 . 0 0 "[ . 1 . ]" 1
173 1 5 GLY H 1 23 ILE MD . . 5.600 3.650 2.879 3.922 . 0 0 "[ . 1 . ]" 1
174 1 5 GLY HA2 1 23 ILE MD . . 5.000 2.580 2.388 2.890 . 0 0 "[ . 1 . ]" 1
175 1 5 GLY HA3 1 23 ILE MD . . 5.000 2.318 2.076 2.828 . 0 0 "[ . 1 . ]" 1
176 1 5 GLY HA2 1 23 ILE MG . . 6.000 5.027 4.924 5.063 . 0 0 "[ . 1 . ]" 1
177 1 24 THR HB 1 26 ALA H . . 5.000 3.312 3.154 3.497 . 0 0 "[ . 1 . ]" 1
178 1 20 PHE HA 1 26 ALA MB . . 6.000 4.772 4.730 4.827 . 0 0 "[ . 1 . ]" 1
179 1 21 ASN H 1 26 ALA MB . . 5.000 3.382 3.309 3.532 . 0 0 "[ . 1 . ]" 1
180 1 28 GLN QG 1 30 GLU H . . 5.000 2.857 1.880 4.404 . 0 0 "[ . 1 . ]" 1
181 1 2 LEU HA 1 32 PRO HG2 . . 5.200 5.095 4.315 5.308 0.108 14 0 "[ . 1 . ]" 1
182 1 2 LEU HB2 1 6 TRP HB3 . . 5.000 4.217 2.901 4.528 . 0 0 "[ . 1 . ]" 1
183 1 2 LEU MD2 1 6 TRP HB3 . . 5.500 4.339 2.516 4.647 . 0 0 "[ . 1 . ]" 1
184 1 2 LEU MD2 1 32 PRO HG3 . . 5.600 2.910 2.135 4.684 . 0 0 "[ . 1 . ]" 1
185 1 2 LEU MD2 1 32 PRO HG2 . . 5.000 3.108 2.099 3.736 . 0 0 "[ . 1 . ]" 1
186 1 3 PRO HB2 1 6 TRP HD1 . . 4.000 2.368 2.118 2.496 . 0 0 "[ . 1 . ]" 1
187 1 3 PRO HG3 1 6 TRP HD1 . . 4.800 4.597 4.222 4.724 . 0 0 "[ . 1 . ]" 1
188 1 3 PRO HB2 1 6 TRP HE1 . . 5.000 3.280 2.590 3.509 . 0 0 "[ . 1 . ]" 1
189 1 3 PRO HB3 1 6 TRP HE1 . . 5.000 4.842 4.020 5.073 0.073 9 0 "[ . 1 . ]" 1
190 1 3 PRO HG2 1 6 TRP HE1 . . 4.000 3.351 2.753 3.632 . 0 0 "[ . 1 . ]" 1
191 1 3 PRO HG2 1 6 TRP HD1 . . 4.000 3.834 3.111 4.020 0.020 9 0 "[ . 1 . ]" 1
192 1 3 PRO HD2 1 6 TRP HE1 . . 5.000 2.400 1.868 3.760 . 0 0 "[ . 1 . ]" 1
193 1 3 PRO HD3 1 6 TRP HE1 . . 5.000 3.898 3.334 5.107 0.107 16 0 "[ . 1 . ]" 1
194 1 3 PRO HD2 1 32 PRO HG3 . . 5.000 4.797 3.682 5.160 0.160 19 0 "[ . 1 . ]" 1
195 1 3 PRO HD3 1 32 PRO HG3 . . 6.000 5.600 4.965 5.812 . 0 0 "[ . 1 . ]" 1
196 1 3 PRO HB2 1 32 PRO HG2 . . 5.500 5.585 5.452 5.643 0.143 14 0 "[ . 1 . ]" 1
197 1 3 PRO HD2 1 32 PRO HG2 . . 4.500 4.092 2.915 4.541 0.041 6 0 "[ . 1 . ]" 1
198 1 3 PRO HD3 1 32 PRO HG2 . . 5.500 5.152 3.895 5.567 0.067 19 0 "[ . 1 . ]" 1
199 1 3 PRO HD2 1 32 PRO HB3 . . 4.500 4.439 2.464 4.643 0.143 8 0 "[ . 1 . ]" 1
200 1 3 PRO HD3 1 32 PRO HB2 . . 5.500 5.084 2.875 5.757 0.257 14 0 "[ . 1 . ]" 1
201 1 6 TRP HB2 1 19 TYR QE . . 5.600 4.628 4.091 5.019 . 0 0 "[ . 1 . ]" 1
202 1 6 TRP HB3 1 19 TYR QE . . 5.000 4.099 3.151 4.463 . 0 0 "[ . 1 . ]" 1
203 1 6 TRP HH2 1 21 ASN HB2 . . 4.000 3.892 3.581 4.033 0.033 4 0 "[ . 1 . ]" 1
204 1 6 TRP HH2 1 21 ASN HB3 . . 5.000 4.706 4.504 4.911 . 0 0 "[ . 1 . ]" 1
205 1 6 TRP HE1 1 21 ASN HB2 . . 5.000 4.116 3.927 4.436 . 0 0 "[ . 1 . ]" 1
206 1 6 TRP HZ3 1 26 ALA MB . . 5.000 3.895 3.756 4.174 . 0 0 "[ . 1 . ]" 1
207 1 6 TRP HB2 1 32 PRO HG3 . . 4.000 4.031 3.806 4.129 0.129 15 0 "[ . 1 . ]" 1
208 1 6 TRP HB2 1 32 PRO HG2 . . 4.000 2.605 2.301 3.505 . 0 0 "[ . 1 . ]" 1
209 1 6 TRP HB3 1 32 PRO HG2 . . 6.000 2.374 2.186 3.083 . 0 0 "[ . 1 . ]" 1
210 1 6 TRP HZ3 1 32 PRO HG3 . . 6.000 5.548 3.948 6.056 0.056 5 0 "[ . 1 . ]" 1
211 1 6 TRP HZ3 1 32 PRO HG2 . . 5.600 5.591 5.422 5.677 0.077 2 0 "[ . 1 . ]" 1
212 1 6 TRP HD1 1 32 PRO HG3 . . 5.000 4.482 4.009 4.652 . 0 0 "[ . 1 . ]" 1
213 1 6 TRP HD1 1 32 PRO HG2 . . 5.000 3.430 3.195 4.013 . 0 0 "[ . 1 . ]" 1
214 1 6 TRP HE1 1 32 PRO HG3 . . 5.000 4.833 3.974 5.089 0.089 6 0 "[ . 1 . ]" 1
215 1 6 TRP HE1 1 32 PRO HG2 . . 5.600 4.427 4.230 4.829 . 0 0 "[ . 1 . ]" 1
216 1 19 TYR QD 1 31 ARG QB . . 5.000 3.548 2.870 3.980 . 0 0 "[ . 1 . ]" 1
217 1 19 TYR QD 1 31 ARG HG2 . . 4.000 3.268 2.227 3.735 . 0 0 "[ . 1 . ]" 1
218 1 19 TYR QD 1 31 ARG HG3 . . 4.000 2.980 2.243 3.628 . 0 0 "[ . 1 . ]" 1
219 1 19 TYR QE 1 31 ARG QB . . 4.000 2.995 2.351 3.236 . 0 0 "[ . 1 . ]" 1
220 1 19 TYR QE 1 31 ARG HG2 . . 4.000 2.310 2.012 2.995 . 0 0 "[ . 1 . ]" 1
221 1 19 TYR QE 1 31 ARG HG3 . . 4.000 2.925 2.129 3.664 . 0 0 "[ . 1 . ]" 1
222 1 19 TYR QE 1 31 ARG QD . . 5.000 3.871 3.184 4.063 . 0 0 "[ . 1 . ]" 1
223 1 19 TYR HB3 1 32 PRO HD3 . . 4.000 3.024 2.653 3.535 . 0 0 "[ . 1 . ]" 1
224 1 19 TYR HB3 1 32 PRO HD2 . . 4.000 3.400 3.013 3.939 . 0 0 "[ . 1 . ]" 1
225 1 6 TRP HZ3 1 21 ASN HB2 . . 4.000 3.859 3.609 4.016 0.016 14 0 "[ . 1 . ]" 1
226 1 21 ASN HB2 1 24 THR MG . . 5.600 4.634 4.471 4.717 . 0 0 "[ . 1 . ]" 1
227 1 21 ASN HB2 1 26 ALA MB . . 5.000 2.661 2.481 2.852 . 0 0 "[ . 1 . ]" 1
228 1 24 THR HB 1 26 ALA MB . . 5.000 3.470 3.239 3.698 . 0 0 "[ . 1 . ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 34
_Distance_constraint_stats_list.Viol_count 101
_Distance_constraint_stats_list.Viol_total 50.444
_Distance_constraint_stats_list.Viol_max 0.068
_Distance_constraint_stats_list.Viol_rms 0.0112
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0041
_Distance_constraint_stats_list.Viol_average_violations_only 0.0263
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 3 PRO 0.854 0.068 19 0 "[ . 1 . ]"
1 5 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 6 TRP 0.854 0.068 19 0 "[ . 1 . ]"
1 7 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 9 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 11 PHE 0.072 0.030 8 0 "[ . 1 . ]"
1 14 ASN 0.800 0.055 7 0 "[ . 1 . ]"
1 15 GLY 0.728 0.055 7 0 "[ . 1 . ]"
1 16 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 18 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 19 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 20 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 21 ASN 0.459 0.050 3 0 "[ . 1 . ]"
1 22 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 23 ILE 0.459 0.050 3 0 "[ . 1 . ]"
1 24 THR 0.542 0.042 9 0 "[ . 1 . ]"
1 25 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 26 ALA 0.542 0.042 9 0 "[ . 1 . ]"
1 28 GLN 0.000 0.000 . 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 3 PRO O 1 6 TRP H . . 2.300 2.266 1.907 2.356 0.056 19 0 "[ . 1 . ]" 2
2 1 3 PRO O 1 6 TRP N . . 3.300 3.277 2.922 3.368 0.068 19 0 "[ . 1 . ]" 2
3 1 7 GLU H 1 20 PHE O . . 2.300 1.803 1.773 1.880 . 0 0 "[ . 1 . ]" 2
4 1 7 GLU N 1 20 PHE O . . 3.000 2.805 2.765 2.854 . 0 0 "[ . 1 . ]" 2
5 1 9 ARG H 1 18 TYR O . . 2.000 1.781 1.760 1.832 . 0 0 "[ . 1 . ]" 2
6 1 9 ARG N 1 18 TYR O . . 3.000 2.775 2.753 2.850 . 0 0 "[ . 1 . ]" 2
7 1 11 PHE H 1 16 THR O . . 2.000 1.776 1.751 1.835 . 0 0 "[ . 1 . ]" 2
8 1 11 PHE N 1 16 THR O . . 3.000 2.777 2.746 2.801 . 0 0 "[ . 1 . ]" 2
9 1 11 PHE O 1 14 ASN H . . 2.300 2.207 1.985 2.330 0.030 8 0 "[ . 1 . ]" 2
10 1 11 PHE O 1 14 ASN N . . 3.300 3.169 2.967 3.288 . 0 0 "[ . 1 . ]" 2
11 1 14 ASN OD1 1 15 GLY H . . 2.800 2.838 2.829 2.855 0.055 7 0 "[ . 1 . ]" 2
12 1 14 ASN OD1 1 15 GLY N . . 3.600 3.039 2.983 3.115 . 0 0 "[ . 1 . ]" 2
13 1 14 ASN OD1 1 16 THR H . . 2.300 1.914 1.878 1.979 . 0 0 "[ . 1 . ]" 2
14 1 14 ASN OD1 1 16 THR N . . 3.200 2.898 2.866 2.959 . 0 0 "[ . 1 . ]" 2
15 1 9 ARG O 1 18 TYR H . . 2.000 1.845 1.804 1.891 . 0 0 "[ . 1 . ]" 2
16 1 9 ARG O 1 18 TYR N . . 3.000 2.850 2.791 2.899 . 0 0 "[ . 1 . ]" 2
17 1 19 TYR H 1 28 GLN O . . 2.600 1.790 1.765 1.830 . 0 0 "[ . 1 . ]" 2
18 1 19 TYR N 1 28 GLN O . . 3.600 2.792 2.763 2.837 . 0 0 "[ . 1 . ]" 2
19 1 7 GLU O 1 20 PHE H . . 2.000 1.789 1.774 1.815 . 0 0 "[ . 1 . ]" 2
20 1 7 GLU O 1 20 PHE N . . 3.000 2.791 2.760 2.829 . 0 0 "[ . 1 . ]" 2
21 1 21 ASN H 1 26 ALA O . . 2.000 1.796 1.753 1.887 . 0 0 "[ . 1 . ]" 2
22 1 21 ASN N 1 26 ALA O . . 3.000 2.795 2.758 2.859 . 0 0 "[ . 1 . ]" 2
23 1 5 GLY O 1 22 HIS H . . 2.300 1.845 1.786 1.897 . 0 0 "[ . 1 . ]" 2
24 1 5 GLY O 1 22 HIS N . . 3.300 2.785 2.726 2.820 . 0 0 "[ . 1 . ]" 2
25 1 21 ASN OD1 1 23 ILE H . . 2.300 2.221 1.983 2.350 0.050 3 0 "[ . 1 . ]" 2
26 1 21 ASN OD1 1 23 ILE N . . 3.300 3.105 2.885 3.242 . 0 0 "[ . 1 . ]" 2
27 1 21 ASN OD1 1 24 THR H . . 2.300 1.994 1.862 2.114 . 0 0 "[ . 1 . ]" 2
28 1 21 ASN OD1 1 24 THR N . . 3.300 2.859 2.817 2.942 . 0 0 "[ . 1 . ]" 2
29 1 21 ASN O 1 25 ASN H . . 2.300 1.837 1.788 1.892 . 0 0 "[ . 1 . ]" 2
30 1 21 ASN O 1 25 ASN N . . 3.300 2.764 2.742 2.784 . 0 0 "[ . 1 . ]" 2
31 1 24 THR OG1 1 26 ALA H . . 2.200 2.218 2.200 2.242 0.042 9 0 "[ . 1 . ]" 2
32 1 24 THR OG1 1 26 ALA N . . 3.200 3.210 3.195 3.231 0.031 17 0 "[ . 1 . ]" 2
33 1 19 TYR O 1 28 GLN H . . 2.800 1.893 1.814 1.975 . 0 0 "[ . 1 . ]" 2
34 1 19 TYR O 1 28 GLN N . . 3.800 2.892 2.803 2.967 . 0 0 "[ . 1 . ]" 2
stop_
save_
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