NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
370817 |
1bzk   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1bzk
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 80
_Distance_constraint_stats_list.Viol_count 271
_Distance_constraint_stats_list.Viol_total 321.767
_Distance_constraint_stats_list.Viol_max 0.279
_Distance_constraint_stats_list.Viol_rms 0.0270
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0091
_Distance_constraint_stats_list.Viol_average_violations_only 0.0565
_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 3 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 4 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 5 TYR 0.017 0.012 13 0 "[ . 1 . 2 ]"
1 6 TYR 0.089 0.047 5 0 "[ . 1 . 2 ]"
1 7 LEU 0.196 0.089 19 0 "[ . 1 . 2 ]"
1 8 SER 0.339 0.089 19 0 "[ . 1 . 2 ]"
1 9 ASP 0.693 0.183 5 0 "[ . 1 . 2 ]"
1 10 ILE 0.866 0.183 5 0 "[ . 1 . 2 ]"
1 11 THR 0.579 0.112 8 0 "[ . 1 . 2 ]"
1 12 ASP 0.279 0.084 13 0 "[ . 1 . 2 ]"
1 13 ALA 0.333 0.122 9 0 "[ . 1 . 2 ]"
1 14 PHE 0.922 0.122 9 0 "[ . 1 . 2 ]"
1 15 SER 0.731 0.080 10 0 "[ . 1 . 2 ]"
1 16 PRO 0.910 0.096 10 0 "[ . 1 . 2 ]"
1 17 GLN 1.483 0.096 10 0 "[ . 1 . 2 ]"
1 18 VAL 1.610 0.146 6 0 "[ . 1 . 2 ]"
1 19 LEU 1.095 0.146 6 0 "[ . 1 . 2 ]"
1 20 ALA 0.125 0.046 17 0 "[ . 1 . 2 ]"
1 21 ALA 2.382 0.112 16 0 "[ . 1 . 2 ]"
1 22 VAL 2.369 0.112 16 0 "[ . 1 . 2 ]"
1 23 ILE 0.749 0.190 12 0 "[ . 1 . 2 ]"
1 24 PHE 1.534 0.190 12 0 "[ . 1 . 2 ]"
1 25 ILE 0.809 0.166 3 0 "[ . 1 . 2 ]"
1 26 TYR 0.179 0.081 16 0 "[ . 1 . 2 ]"
1 27 PHE 0.204 0.081 16 0 "[ . 1 . 2 ]"
1 28 ALA 0.367 0.109 10 0 "[ . 1 . 2 ]"
1 29 ALA 0.830 0.279 6 0 "[ . 1 . 2 ]"
1 30 LEU 1.947 0.279 6 0 "[ . 1 . 2 ]"
1 31 SER 4.032 0.181 21 0 "[ . 1 . 2 ]"
1 32 PRO 2.598 0.181 21 0 "[ . 1 . 2 ]"
1 33 ALA 0.055 0.044 12 0 "[ . 1 . 2 ]"
1 34 ILE 0.055 0.044 12 0 "[ . 1 . 2 ]"
1 35 THR 0.732 0.219 14 0 "[ . 1 . 2 ]"
1 36 PHE 0.732 0.219 14 0 "[ . 1 . 2 ]"
1 38 GLY 0.092 0.044 15 0 "[ . 1 . 2 ]"
1 39 LEU 0.092 0.044 15 0 "[ . 1 . 2 ]"
1 40 LEU 0.100 0.043 18 0 "[ . 1 . 2 ]"
1 41 GLY 0.299 0.072 16 0 "[ . 1 . 2 ]"
1 42 GLU 0.208 0.072 16 0 "[ . 1 . 2 ]"
1 43 LYS 0.009 0.009 17 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 5 TYR H 1 6 TYR H 2.500 . 2.900 2.544 2.299 2.912 0.012 13 0 "[ . 1 . 2 ]" 1
2 1 6 TYR H 1 7 LEU H 2.500 . 2.900 2.751 2.389 2.947 0.047 5 0 "[ . 1 . 2 ]" 1
3 1 7 LEU H 1 8 SER H 2.500 . 2.900 2.681 2.392 2.989 0.089 19 0 "[ . 1 . 2 ]" 1
4 1 8 SER H 1 9 ASP H 2.500 . 2.900 2.851 2.606 2.955 0.055 12 0 "[ . 1 . 2 ]" 1
5 1 9 ASP H 1 10 ILE H 3.000 . 3.500 2.989 2.399 3.570 0.070 14 0 "[ . 1 . 2 ]" 1
6 1 10 ILE H 1 11 THR H 2.500 . 2.900 2.558 2.248 2.994 0.094 5 0 "[ . 1 . 2 ]" 1
7 1 11 THR H 1 12 ASP H 2.500 . 2.900 2.715 2.358 2.984 0.084 13 0 "[ . 1 . 2 ]" 1
8 1 12 ASP H 1 13 ALA H 2.500 . 2.900 2.626 2.258 2.962 0.062 13 0 "[ . 1 . 2 ]" 1
9 1 13 ALA H 1 14 PHE H 2.500 . 2.900 2.487 2.084 3.022 0.122 9 0 "[ . 1 . 2 ]" 1
10 1 14 PHE H 1 15 SER H 2.500 . 2.900 2.728 2.376 2.980 0.080 10 0 "[ . 1 . 2 ]" 1
11 1 17 GLN H 1 18 VAL H 2.500 . 2.900 2.697 2.429 2.935 0.035 13 0 "[ . 1 . 2 ]" 1
12 1 18 VAL H 1 19 LEU H 2.500 . 2.900 2.533 2.312 2.796 . 0 0 "[ . 1 . 2 ]" 1
13 1 19 LEU H 1 20 ALA H 2.500 . 2.900 2.812 2.628 2.946 0.046 17 0 "[ . 1 . 2 ]" 1
14 1 20 ALA H 1 21 ALA H 2.500 . 2.900 2.801 2.674 2.912 0.012 5 0 "[ . 1 . 2 ]" 1
15 1 21 ALA H 1 22 VAL H 2.500 . 2.900 2.969 2.797 3.012 0.112 16 0 "[ . 1 . 2 ]" 1
16 1 24 PHE H 1 25 ILE H 2.500 . 2.900 2.785 2.568 3.066 0.166 3 0 "[ . 1 . 2 ]" 1
17 1 25 ILE H 1 26 TYR H 2.500 . 2.900 2.540 2.364 2.668 . 0 0 "[ . 1 . 2 ]" 1
18 1 26 TYR H 1 27 PHE H 2.500 . 2.900 2.612 2.395 2.981 0.081 16 0 "[ . 1 . 2 ]" 1
19 1 27 PHE H 1 28 ALA H 2.500 . 2.900 2.394 2.129 2.940 0.040 3 0 "[ . 1 . 2 ]" 1
20 1 28 ALA H 1 29 ALA H 2.500 . 2.900 2.878 2.700 3.009 0.109 10 0 "[ . 1 . 2 ]" 1
21 1 29 ALA H 1 30 LEU H 2.500 . 2.900 2.769 2.497 3.179 0.279 6 0 "[ . 1 . 2 ]" 1
22 1 30 LEU H 1 31 SER H 2.500 . 2.900 2.966 2.851 3.072 0.172 5 0 "[ . 1 . 2 ]" 1
23 1 33 ALA H 1 34 ILE H 2.500 . 2.900 2.680 2.323 2.944 0.044 12 0 "[ . 1 . 2 ]" 1
24 1 34 ILE H 1 35 THR H 3.000 . 3.500 2.914 2.267 3.479 . 0 0 "[ . 1 . 2 ]" 1
25 1 35 THR H 1 36 PHE H 2.500 . 2.900 2.635 2.299 3.119 0.219 14 0 "[ . 1 . 2 ]" 1
26 1 38 GLY H 1 39 LEU H 2.500 . 2.900 2.487 1.865 2.944 0.044 15 0 "[ . 1 . 2 ]" 1
27 1 40 LEU H 1 41 GLY H 2.500 . 2.900 2.608 2.141 2.943 0.043 18 0 "[ . 1 . 2 ]" 1
28 1 42 GLU H 1 43 LYS H 2.500 . 2.900 2.659 2.384 2.909 0.009 17 0 "[ . 1 . 2 ]" 1
29 1 5 TYR HA 1 6 TYR H 4.000 . 5.000 3.477 3.386 3.573 . 0 0 "[ . 1 . 2 ]" 1
30 1 6 TYR HA 1 7 LEU H 4.000 . 5.000 3.567 3.529 3.599 . 0 0 "[ . 1 . 2 ]" 1
31 1 8 SER HA 1 9 ASP H 4.000 . 5.000 3.325 3.043 3.568 . 0 0 "[ . 1 . 2 ]" 1
32 1 10 ILE HA 1 11 THR H 4.000 . 5.000 3.495 3.335 3.584 . 0 0 "[ . 1 . 2 ]" 1
33 1 11 THR HA 1 12 ASP H 4.000 . 5.000 3.336 2.911 3.593 . 0 0 "[ . 1 . 2 ]" 1
34 1 14 PHE HA 1 15 SER H 3.000 . 3.500 3.358 2.938 3.573 0.073 8 0 "[ . 1 . 2 ]" 1
35 1 17 GLN HA 1 18 VAL H 3.000 . 3.500 3.511 3.409 3.563 0.063 15 0 "[ . 1 . 2 ]" 1
36 1 21 ALA HA 1 22 VAL H 3.000 . 3.500 3.539 3.512 3.559 0.059 2 0 "[ . 1 . 2 ]" 1
37 1 24 PHE HA 1 25 ILE H 4.000 . 5.000 3.555 3.524 3.588 . 0 0 "[ . 1 . 2 ]" 1
38 1 25 ILE HA 1 26 TYR H 4.000 . 5.000 3.563 3.498 3.612 . 0 0 "[ . 1 . 2 ]" 1
39 1 26 TYR HA 1 27 PHE H 4.000 . 5.000 3.454 3.389 3.554 . 0 0 "[ . 1 . 2 ]" 1
40 1 27 PHE HA 1 28 ALA H 4.000 . 5.000 3.499 3.449 3.555 . 0 0 "[ . 1 . 2 ]" 1
41 1 29 ALA HA 1 30 LEU H 4.000 . 5.000 3.561 3.485 3.593 . 0 0 "[ . 1 . 2 ]" 1
42 1 30 LEU HA 1 31 SER H 3.000 . 3.500 3.126 2.858 3.497 . 0 0 "[ . 1 . 2 ]" 1
43 1 33 ALA HA 1 34 ILE H 4.000 . 5.000 3.492 3.319 3.589 . 0 0 "[ . 1 . 2 ]" 1
44 1 35 THR HA 1 36 PHE H 3.000 . 3.500 3.426 2.782 3.571 0.071 17 0 "[ . 1 . 2 ]" 1
45 1 41 GLY HA3 1 42 GLU H 3.000 . 3.500 2.957 2.205 3.565 0.065 1 0 "[ . 1 . 2 ]" 1
46 1 41 GLY HA2 1 42 GLU H 3.000 . 3.500 2.847 2.204 3.572 0.072 16 0 "[ . 1 . 2 ]" 1
47 1 42 GLU HA 1 43 LYS H 4.000 . 5.000 3.470 2.988 3.594 . 0 0 "[ . 1 . 2 ]" 1
48 1 4 PRO HB3 1 5 TYR H 4.000 . 5.000 3.859 3.407 4.329 . 0 0 "[ . 1 . 2 ]" 1
49 1 4 PRO HB2 1 5 TYR H 4.000 . 5.000 2.793 1.965 3.661 . 0 0 "[ . 1 . 2 ]" 1
50 1 5 TYR QB 1 6 TYR H 3.000 . 3.500 2.960 2.614 3.224 . 0 0 "[ . 1 . 2 ]" 1
51 1 6 TYR QB 1 7 LEU H 2.500 . 2.900 2.430 2.073 2.755 . 0 0 "[ . 1 . 2 ]" 1
52 1 7 LEU QB 1 8 SER H 2.500 . 2.900 2.530 2.026 2.789 . 0 0 "[ . 1 . 2 ]" 1
53 1 9 ASP HB3 1 10 ILE H 3.000 . 3.500 2.852 1.865 3.683 0.183 5 0 "[ . 1 . 2 ]" 1
54 1 9 ASP HB2 1 10 ILE H 2.500 . 2.900 2.547 1.960 2.926 0.026 18 0 "[ . 1 . 2 ]" 1
55 1 10 ILE HB 1 11 THR H 3.000 . 3.500 3.122 2.471 3.612 0.112 8 0 "[ . 1 . 2 ]" 1
56 1 11 THR HB 1 12 ASP H 4.000 . 5.000 4.122 3.419 4.566 . 0 0 "[ . 1 . 2 ]" 1
57 1 14 PHE QB 1 15 SER H 4.000 . 5.000 3.080 1.965 3.988 . 0 0 "[ . 1 . 2 ]" 1
58 1 18 VAL HB 1 19 LEU H 2.500 . 2.900 2.851 2.464 3.046 0.146 6 0 "[ . 1 . 2 ]" 1
59 1 19 LEU QB 1 20 ALA H 2.500 . 2.900 2.353 2.079 2.655 . 0 0 "[ . 1 . 2 ]" 1
60 1 20 ALA MB 1 21 ALA H 2.500 . 2.900 2.301 2.139 2.423 . 0 0 "[ . 1 . 2 ]" 1
61 1 21 ALA MB 1 22 VAL H 2.500 . 2.900 2.244 2.040 2.436 . 0 0 "[ . 1 . 2 ]" 1
62 1 23 ILE HB 1 24 PHE H 2.500 . 2.900 2.814 2.300 3.090 0.190 12 0 "[ . 1 . 2 ]" 1
63 1 24 PHE HB3 1 25 ILE H 2.500 . 2.900 2.641 2.257 2.933 0.033 12 0 "[ . 1 . 2 ]" 1
64 1 24 PHE HB2 1 25 ILE H 3.000 . 3.500 3.427 3.087 3.573 0.073 6 0 "[ . 1 . 2 ]" 1
65 1 25 ILE HB 1 26 TYR H 2.500 . 2.900 2.653 2.326 2.913 0.013 14 0 "[ . 1 . 2 ]" 1
66 1 27 PHE QB 1 28 ALA H 2.500 . 2.900 2.667 2.365 2.829 . 0 0 "[ . 1 . 2 ]" 1
67 1 28 ALA MB 1 29 ALA H 2.500 . 2.900 2.196 1.993 2.425 . 0 0 "[ . 1 . 2 ]" 1
68 1 29 ALA MB 1 30 LEU H 2.500 . 2.900 2.257 1.817 2.525 . 0 0 "[ . 1 . 2 ]" 1
69 1 30 LEU QB 1 31 SER H 4.000 . 5.000 3.708 3.014 4.067 . 0 0 "[ . 1 . 2 ]" 1
70 1 32 PRO HB3 1 33 ALA H 4.000 . 5.000 4.388 4.161 4.658 . 0 0 "[ . 1 . 2 ]" 1
71 1 32 PRO HB2 1 33 ALA H 4.000 . 5.000 3.712 3.305 4.205 . 0 0 "[ . 1 . 2 ]" 1
72 1 33 ALA MB 1 34 ILE H 3.000 . 3.500 2.711 1.897 3.110 . 0 0 "[ . 1 . 2 ]" 1
73 1 34 ILE HB 1 35 THR H 4.000 . 5.000 3.113 1.873 4.204 . 0 0 "[ . 1 . 2 ]" 1
74 1 3 TYR HA 1 4 PRO HD3 4.000 . 5.000 2.598 1.902 3.921 . 0 0 "[ . 1 . 2 ]" 1
75 1 3 TYR HA 1 4 PRO HD2 4.000 . 5.000 2.787 2.286 4.066 . 0 0 "[ . 1 . 2 ]" 1
76 1 15 SER H 1 16 PRO HD3 3.000 . 3.500 2.992 2.137 3.555 0.055 20 0 "[ . 1 . 2 ]" 1
77 1 16 PRO HD3 1 17 GLN H 3.000 . 3.500 3.539 3.464 3.596 0.096 10 0 "[ . 1 . 2 ]" 1
78 1 31 SER HA 1 32 PRO HD3 3.000 . 3.500 3.624 3.590 3.681 0.181 21 0 "[ . 1 . 2 ]" 1
79 1 31 SER H 1 32 PRO QD 3.000 . 3.500 2.185 1.777 2.599 . 0 0 "[ . 1 . 2 ]" 1
80 1 32 PRO QD 1 33 ALA H 3.000 . 3.500 2.049 1.800 2.813 . 0 0 "[ . 1 . 2 ]" 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 35
_Distance_constraint_stats_list.Viol_count 89
_Distance_constraint_stats_list.Viol_total 96.461
_Distance_constraint_stats_list.Viol_max 0.145
_Distance_constraint_stats_list.Viol_rms 0.0209
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0062
_Distance_constraint_stats_list.Viol_average_violations_only 0.0516
_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 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 4 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 6 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 7 LEU 0.024 0.015 1 0 "[ . 1 . 2 ]"
1 8 SER 0.002 0.002 19 0 "[ . 1 . 2 ]"
1 9 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 11 THR 0.024 0.015 1 0 "[ . 1 . 2 ]"
1 12 ASP 0.002 0.002 19 0 "[ . 1 . 2 ]"
1 14 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 15 SER 0.559 0.097 3 0 "[ . 1 . 2 ]"
1 16 PRO 0.408 0.092 1 0 "[ . 1 . 2 ]"
1 17 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 18 VAL 0.731 0.097 3 0 "[ . 1 . 2 ]"
1 19 LEU 1.372 0.118 12 0 "[ . 1 . 2 ]"
1 20 ALA 0.369 0.111 10 0 "[ . 1 . 2 ]"
1 21 ALA 0.171 0.062 5 0 "[ . 1 . 2 ]"
1 22 VAL 0.965 0.118 12 0 "[ . 1 . 2 ]"
1 23 ILE 2.099 0.145 20 0 "[ . 1 . 2 ]"
1 24 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 25 ILE 0.172 0.106 3 0 "[ . 1 . 2 ]"
1 26 TYR 1.730 0.145 20 0 "[ . 1 . 2 ]"
1 27 PHE 0.165 0.142 18 0 "[ . 1 . 2 ]"
1 28 ALA 0.172 0.106 3 0 "[ . 1 . 2 ]"
1 29 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 30 LEU 0.029 0.025 21 0 "[ . 1 . 2 ]"
1 31 SER 0.165 0.142 18 0 "[ . 1 . 2 ]"
1 33 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 34 ILE 0.029 0.025 21 0 "[ . 1 . 2 ]"
1 36 PHE 0.000 0.000 . 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 4 PRO HA 1 7 LEU H 4.000 . 5.000 4.134 3.365 4.907 . 0 0 "[ . 1 . 2 ]" 2
2 1 6 TYR HA 1 9 ASP H 4.000 . 5.000 4.013 3.311 4.597 . 0 0 "[ . 1 . 2 ]" 2
3 1 15 SER HA 1 18 VAL H 4.000 . 5.000 3.802 3.433 4.155 . 0 0 "[ . 1 . 2 ]" 2
4 1 16 PRO HA 1 19 LEU H 3.000 . 3.500 3.461 3.139 3.592 0.092 1 0 "[ . 1 . 2 ]" 2
5 1 18 VAL HA 1 21 ALA H 3.000 . 3.500 3.366 2.981 3.562 0.062 5 0 "[ . 1 . 2 ]" 2
6 1 20 ALA HA 1 23 ILE H 3.000 . 3.500 3.502 3.412 3.611 0.111 10 0 "[ . 1 . 2 ]" 2
7 1 21 ALA HA 1 24 PHE H 4.000 . 5.000 3.418 3.107 4.507 . 0 0 "[ . 1 . 2 ]" 2
8 1 23 ILE HA 1 26 TYR H 2.500 . 2.900 2.982 2.927 3.045 0.145 20 0 "[ . 1 . 2 ]" 2
9 1 24 PHE HA 1 27 PHE H 4.000 . 5.000 3.695 3.367 4.441 . 0 0 "[ . 1 . 2 ]" 2
10 1 25 ILE HA 1 28 ALA H 3.000 . 3.500 3.034 2.666 3.606 0.106 3 0 "[ . 1 . 2 ]" 2
11 1 7 LEU HA 1 11 THR H 4.000 . 5.000 4.703 4.253 5.015 0.015 1 0 "[ . 1 . 2 ]" 2
12 1 8 SER HA 1 12 ASP H 4.000 . 5.000 4.396 3.399 5.002 0.002 19 0 "[ . 1 . 2 ]" 2
13 1 16 PRO HA 1 20 ALA H 4.000 . 5.000 4.429 3.314 4.835 . 0 0 "[ . 1 . 2 ]" 2
14 1 17 GLN HA 1 21 ALA H 4.000 . 5.000 4.470 4.039 4.975 . 0 0 "[ . 1 . 2 ]" 2
15 1 23 ILE HA 1 27 PHE H 4.000 . 5.000 3.909 2.837 4.445 . 0 0 "[ . 1 . 2 ]" 2
16 1 25 ILE HA 1 29 ALA H 4.000 . 5.000 3.886 2.541 4.597 . 0 0 "[ . 1 . 2 ]" 2
17 1 26 TYR HA 1 30 LEU H 4.000 . 5.000 3.539 2.726 4.752 . 0 0 "[ . 1 . 2 ]" 2
18 1 27 PHE HA 1 31 SER H 4.000 . 5.000 4.462 3.737 5.142 0.142 18 0 "[ . 1 . 2 ]" 2
19 1 30 LEU HA 1 34 ILE H 4.000 . 5.000 4.500 3.718 5.025 0.025 21 0 "[ . 1 . 2 ]" 2
20 1 3 TYR HA 1 6 TYR QB 4.000 . 5.000 3.398 2.596 4.140 . 0 0 "[ . 1 . 2 ]" 2
21 1 4 PRO HA 1 7 LEU QB 4.000 . 5.000 3.936 2.721 4.464 . 0 0 "[ . 1 . 2 ]" 2
22 1 6 TYR HA 1 9 ASP QB 4.000 . 5.000 3.302 1.852 4.314 . 0 0 "[ . 1 . 2 ]" 2
23 1 11 THR HA 1 14 PHE QB 4.000 . 5.000 3.299 1.810 4.315 . 0 0 "[ . 1 . 2 ]" 2
24 1 15 SER HA 1 18 VAL HB 3.000 . 3.500 3.400 2.624 3.597 0.097 3 0 "[ . 1 . 2 ]" 2
25 1 17 GLN HA 1 20 ALA MB 4.000 . 5.000 3.315 2.917 3.602 . 0 0 "[ . 1 . 2 ]" 2
26 1 18 VAL HA 1 21 ALA MB 2.500 . 2.900 2.269 2.115 2.437 . 0 0 "[ . 1 . 2 ]" 2
27 1 19 LEU HA 1 22 VAL HB 2.500 . 2.900 2.920 2.424 3.018 0.118 12 0 "[ . 1 . 2 ]" 2
28 1 20 ALA HA 1 23 ILE HB 4.000 . 5.000 3.006 2.410 4.442 . 0 0 "[ . 1 . 2 ]" 2
29 1 21 ALA HA 1 24 PHE QB 2.500 . 2.900 2.494 2.239 2.785 . 0 0 "[ . 1 . 2 ]" 2
30 1 22 VAL HA 1 25 ILE HB 4.000 . 5.000 3.675 3.107 4.277 . 0 0 "[ . 1 . 2 ]" 2
31 1 23 ILE HA 1 26 TYR QB 2.500 . 2.900 2.146 1.801 2.538 . 0 0 "[ . 1 . 2 ]" 2
32 1 24 PHE HA 1 27 PHE QB 2.500 . 2.900 2.659 2.351 2.807 . 0 0 "[ . 1 . 2 ]" 2
33 1 25 ILE HA 1 28 ALA MB 2.500 . 2.900 2.190 2.034 2.396 . 0 0 "[ . 1 . 2 ]" 2
34 1 30 LEU HA 1 33 ALA MB 3.000 . 3.500 2.042 1.768 2.601 . 0 0 "[ . 1 . 2 ]" 2
35 1 33 ALA HA 1 36 PHE QB 3.000 . 3.500 2.733 1.859 3.276 . 0 0 "[ . 1 . 2 ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 43
_Distance_constraint_stats_list.Viol_count 275
_Distance_constraint_stats_list.Viol_total 223.687
_Distance_constraint_stats_list.Viol_max 0.126
_Distance_constraint_stats_list.Viol_rms 0.0238
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0118
_Distance_constraint_stats_list.Viol_average_violations_only 0.0387
_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 TYR 0.355 0.076 6 0 "[ . 1 . 2 ]"
1 5 TYR 0.292 0.049 14 0 "[ . 1 . 2 ]"
1 6 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 7 LEU 0.173 0.046 16 0 "[ . 1 . 2 ]"
1 8 SER 0.235 0.051 19 0 "[ . 1 . 2 ]"
1 9 ASP 0.563 0.051 5 0 "[ . 1 . 2 ]"
1 10 ILE 0.382 0.048 3 0 "[ . 1 . 2 ]"
1 11 THR 0.431 0.048 15 0 "[ . 1 . 2 ]"
1 12 ASP 0.385 0.048 7 0 "[ . 1 . 2 ]"
1 13 ALA 1.046 0.074 11 0 "[ . 1 . 2 ]"
1 14 PHE 0.494 0.051 17 0 "[ . 1 . 2 ]"
1 15 SER 0.962 0.086 5 0 "[ . 1 . 2 ]"
1 17 GLN 0.018 0.010 19 0 "[ . 1 . 2 ]"
1 18 VAL 2.351 0.126 2 0 "[ . 1 . 2 ]"
1 19 LEU 0.007 0.007 14 0 "[ . 1 . 2 ]"
1 20 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 22 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 24 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 25 ILE 0.241 0.036 15 0 "[ . 1 . 2 ]"
1 26 TYR 0.009 0.009 14 0 "[ . 1 . 2 ]"
1 27 PHE 0.557 0.048 11 0 "[ . 1 . 2 ]"
1 28 ALA 0.088 0.038 17 0 "[ . 1 . 2 ]"
1 29 ALA 0.300 0.045 5 0 "[ . 1 . 2 ]"
1 30 LEU 0.382 0.074 3 0 "[ . 1 . 2 ]"
1 31 SER 0.135 0.049 12 0 "[ . 1 . 2 ]"
1 33 ALA 0.218 0.054 12 0 "[ . 1 . 2 ]"
1 34 ILE 0.074 0.052 13 0 "[ . 1 . 2 ]"
1 35 THR 0.351 0.049 7 0 "[ . 1 . 2 ]"
1 36 PHE 0.310 0.051 3 0 "[ . 1 . 2 ]"
1 42 GLU 0.295 0.048 16 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 3 TYR H 1 3 TYR HA 2.500 . 2.900 2.766 2.348 2.976 0.076 6 0 "[ . 1 . 2 ]" 3
2 1 5 TYR H 1 5 TYR HA 2.500 . 2.900 2.888 2.752 2.949 0.049 14 0 "[ . 1 . 2 ]" 3
3 1 7 LEU H 1 7 LEU HA 2.500 . 2.900 2.878 2.778 2.946 0.046 16 0 "[ . 1 . 2 ]" 3
4 1 8 SER H 1 8 SER HA 2.500 . 2.900 2.852 2.749 2.951 0.051 19 0 "[ . 1 . 2 ]" 3
5 1 9 ASP H 1 9 ASP HA 2.500 . 2.900 2.898 2.783 2.951 0.051 5 0 "[ . 1 . 2 ]" 3
6 1 10 ILE H 1 10 ILE HA 2.500 . 2.900 2.891 2.726 2.948 0.048 3 0 "[ . 1 . 2 ]" 3
7 1 11 THR H 1 11 THR HA 2.500 . 2.900 2.905 2.822 2.948 0.048 15 0 "[ . 1 . 2 ]" 3
8 1 12 ASP H 1 12 ASP HA 2.500 . 2.900 2.905 2.783 2.948 0.048 7 0 "[ . 1 . 2 ]" 3
9 1 13 ALA H 1 13 ALA HA 2.500 . 2.900 2.943 2.846 2.974 0.074 11 0 "[ . 1 . 2 ]" 3
10 1 14 PHE H 1 14 PHE HA 2.500 . 2.900 2.891 2.710 2.951 0.051 17 0 "[ . 1 . 2 ]" 3
11 1 15 SER H 1 15 SER HA 2.500 . 2.900 2.844 2.369 2.986 0.086 5 0 "[ . 1 . 2 ]" 3
12 1 17 GLN H 1 17 GLN HA 2.500 . 2.900 2.846 2.770 2.910 0.010 19 0 "[ . 1 . 2 ]" 3
13 1 19 LEU H 1 19 LEU HA 2.500 . 2.900 2.845 2.782 2.907 0.007 14 0 "[ . 1 . 2 ]" 3
14 1 22 VAL H 1 22 VAL HA 2.500 . 2.900 2.788 2.757 2.828 . 0 0 "[ . 1 . 2 ]" 3
15 1 24 PHE H 1 24 PHE HA 2.500 . 2.900 2.819 2.668 2.881 . 0 0 "[ . 1 . 2 ]" 3
16 1 25 ILE H 1 25 ILE HA 2.500 . 2.900 2.910 2.887 2.936 0.036 15 0 "[ . 1 . 2 ]" 3
17 1 26 TYR H 1 26 TYR HA 2.500 . 2.900 2.869 2.824 2.909 0.009 14 0 "[ . 1 . 2 ]" 3
18 1 27 PHE H 1 27 PHE HA 2.500 . 2.900 2.887 2.716 2.948 0.048 11 0 "[ . 1 . 2 ]" 3
19 1 28 ALA H 1 28 ALA HA 2.500 . 2.900 2.862 2.787 2.938 0.038 17 0 "[ . 1 . 2 ]" 3
20 1 29 ALA H 1 29 ALA HA 2.500 . 2.900 2.892 2.792 2.945 0.045 5 0 "[ . 1 . 2 ]" 3
21 1 30 LEU H 1 30 LEU HA 2.500 . 2.900 2.893 2.751 2.974 0.074 3 0 "[ . 1 . 2 ]" 3
22 1 31 SER H 1 31 SER HA 2.500 . 2.900 2.812 2.651 2.949 0.049 12 0 "[ . 1 . 2 ]" 3
23 1 33 ALA H 1 33 ALA HA 2.500 . 2.900 2.868 2.756 2.954 0.054 12 0 "[ . 1 . 2 ]" 3
24 1 34 ILE H 1 34 ILE HA 2.500 . 2.900 2.809 2.676 2.952 0.052 13 0 "[ . 1 . 2 ]" 3
25 1 35 THR H 1 35 THR HA 2.500 . 2.900 2.894 2.769 2.949 0.049 7 0 "[ . 1 . 2 ]" 3
26 1 36 PHE H 1 36 PHE HA 2.500 . 2.900 2.863 2.740 2.951 0.051 3 0 "[ . 1 . 2 ]" 3
27 1 42 GLU H 1 42 GLU HA 2.500 . 2.900 2.895 2.817 2.948 0.048 16 0 "[ . 1 . 2 ]" 3
28 1 3 TYR H 1 3 TYR HB3 4.000 . 5.000 3.617 2.823 4.103 . 0 0 "[ . 1 . 2 ]" 3
29 1 3 TYR H 1 3 TYR HB2 4.000 . 5.000 3.122 2.100 4.046 . 0 0 "[ . 1 . 2 ]" 3
30 1 5 TYR H 1 5 TYR HB3 4.000 . 5.000 3.199 2.371 3.641 . 0 0 "[ . 1 . 2 ]" 3
31 1 5 TYR H 1 5 TYR HB2 4.000 . 5.000 2.404 2.096 3.640 . 0 0 "[ . 1 . 2 ]" 3
32 1 6 TYR H 1 6 TYR QB 2.500 . 2.900 2.185 2.047 2.319 . 0 0 "[ . 1 . 2 ]" 3
33 1 10 ILE H 1 10 ILE HB 2.500 . 2.900 2.447 2.075 2.701 . 0 0 "[ . 1 . 2 ]" 3
34 1 15 SER H 1 15 SER QB 2.500 . 2.900 2.588 2.121 2.850 . 0 0 "[ . 1 . 2 ]" 3
35 1 17 GLN H 1 17 GLN QB 2.500 . 2.900 2.234 2.068 2.494 . 0 0 "[ . 1 . 2 ]" 3
36 1 19 LEU H 1 19 LEU QB 2.500 . 3.500 2.193 2.071 2.394 . 0 0 "[ . 1 . 2 ]" 3
37 1 20 ALA H 1 20 ALA MB 2.500 . 3.500 2.152 2.041 2.248 . 0 0 "[ . 1 . 2 ]" 3
38 1 22 VAL H 1 22 VAL HB 2.500 . 2.900 2.417 2.269 2.637 . 0 0 "[ . 1 . 2 ]" 3
39 1 24 PHE H 1 24 PHE QB 2.500 . 3.500 2.135 2.060 2.223 . 0 0 "[ . 1 . 2 ]" 3
40 1 25 ILE H 1 25 ILE HB 3.000 . 3.500 2.573 2.323 2.774 . 0 0 "[ . 1 . 2 ]" 3
41 1 42 GLU H 1 42 GLU QB 3.000 . 3.500 2.303 2.063 2.901 . 0 0 "[ . 1 . 2 ]" 3
42 1 18 VAL HA 1 18 VAL HB 2.500 . 2.900 3.012 2.988 3.026 0.126 2 0 "[ . 1 . 2 ]" 3
43 1 11 THR H 1 11 THR MG 3.000 . 3.500 2.248 1.774 2.765 . 0 0 "[ . 1 . 2 ]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 20
_Distance_constraint_stats_list.Viol_count 44
_Distance_constraint_stats_list.Viol_total 32.697
_Distance_constraint_stats_list.Viol_max 0.098
_Distance_constraint_stats_list.Viol_rms 0.0137
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0037
_Distance_constraint_stats_list.Viol_average_violations_only 0.0354
_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 16 PRO 0.514 0.098 11 0 "[ . 1 . 2 ]"
1 17 GLN 0.304 0.063 13 0 "[ . 1 . 2 ]"
1 18 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 19 LEU 0.129 0.070 11 0 "[ . 1 . 2 ]"
1 20 ALA 0.514 0.098 11 0 "[ . 1 . 2 ]"
1 21 ALA 0.744 0.094 2 0 "[ . 1 . 2 ]"
1 22 VAL 0.107 0.062 12 0 "[ . 1 . 2 ]"
1 23 ILE 0.129 0.070 11 0 "[ . 1 . 2 ]"
1 24 PHE 0.063 0.036 5 0 "[ . 1 . 2 ]"
1 25 ILE 0.440 0.094 2 0 "[ . 1 . 2 ]"
1 26 TYR 0.107 0.062 12 0 "[ . 1 . 2 ]"
1 27 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 28 ALA 0.063 0.036 5 0 "[ . 1 . 2 ]"
1 29 ALA 0.000 0.000 . 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 16 PRO O 1 20 ALA N 3.300 . 3.500 3.318 2.894 3.510 0.010 11 0 "[ . 1 . 2 ]" 4
2 1 17 GLN O 1 21 ALA N 3.300 . 3.500 3.383 3.165 3.515 0.015 13 0 "[ . 1 . 2 ]" 4
3 1 18 VAL O 1 22 VAL N 3.300 . 3.500 2.931 2.730 3.036 . 0 0 "[ . 1 . 2 ]" 4
4 1 19 LEU O 1 23 ILE N 3.300 . 3.500 3.207 2.903 3.504 0.004 11 0 "[ . 1 . 2 ]" 4
5 1 20 ALA O 1 24 PHE N 3.300 . 3.500 2.919 2.525 3.282 . 0 0 "[ . 1 . 2 ]" 4
6 1 21 ALA O 1 25 ILE N 3.300 . 3.500 3.299 3.047 3.509 0.009 2 0 "[ . 1 . 2 ]" 4
7 1 22 VAL O 1 26 TYR N 3.300 . 3.500 3.152 2.818 3.520 0.020 12 0 "[ . 1 . 2 ]" 4
8 1 23 ILE O 1 27 PHE N 3.300 . 3.500 2.745 2.581 2.925 . 0 0 "[ . 1 . 2 ]" 4
9 1 24 PHE O 1 28 ALA N 3.300 . 3.500 3.001 2.794 3.202 . 0 0 "[ . 1 . 2 ]" 4
10 1 25 ILE O 1 29 ALA N 3.300 . 3.500 3.056 2.602 3.342 . 0 0 "[ . 1 . 2 ]" 4
11 1 16 PRO O 1 20 ALA H 2.300 . 2.500 2.400 2.050 2.598 0.098 11 0 "[ . 1 . 2 ]" 4
12 1 17 GLN O 1 21 ALA H 2.300 . 2.500 2.445 2.214 2.563 0.063 13 0 "[ . 1 . 2 ]" 4
13 1 18 VAL O 1 22 VAL H 2.300 . 2.500 1.992 1.867 2.073 . 0 0 "[ . 1 . 2 ]" 4
14 1 19 LEU O 1 23 ILE H 2.300 . 2.500 2.306 2.060 2.570 0.070 11 0 "[ . 1 . 2 ]" 4
15 1 20 ALA O 1 24 PHE H 2.300 . 2.500 2.075 1.835 2.372 . 0 0 "[ . 1 . 2 ]" 4
16 1 21 ALA O 1 25 ILE H 2.300 . 2.500 2.404 2.097 2.594 0.094 2 0 "[ . 1 . 2 ]" 4
17 1 22 VAL O 1 26 TYR H 2.300 . 2.500 2.247 2.051 2.562 0.062 12 0 "[ . 1 . 2 ]" 4
18 1 23 ILE O 1 27 PHE H 2.300 . 2.500 2.043 1.912 2.190 . 0 0 "[ . 1 . 2 ]" 4
19 1 24 PHE O 1 28 ALA H 2.300 . 2.500 2.211 2.051 2.536 0.036 5 0 "[ . 1 . 2 ]" 4
20 1 25 ILE O 1 29 ALA H 2.300 . 2.500 2.181 2.063 2.441 . 0 0 "[ . 1 . 2 ]" 4
stop_
save_
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