NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
444508 |
2kht   |
16254 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kht
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 3
_Distance_constraint_stats_list.Viol_count 30
_Distance_constraint_stats_list.Viol_total 47.194
_Distance_constraint_stats_list.Viol_max 0.379
_Distance_constraint_stats_list.Viol_rms 0.0750
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1573
_Distance_constraint_stats_list.Viol_average_violations_only 0.1573
_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 CYS 1.211 0.143 5 0 "[ . 1]"
1 4 CYS 1.859 0.379 2 0 "[ . 1]"
1 9 CYS 1.649 0.275 10 0 "[ . 1]"
1 19 CYS 1.859 0.379 2 0 "[ . 1]"
1 29 CYS 1.649 0.275 10 0 "[ . 1]"
1 30 CYS 1.211 0.143 5 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 2 CYS SG 1 30 CYS SG 1.900 . 2.900 3.021 3.006 3.043 0.143 5 0 "[ . 1]" 1
2 1 4 CYS SG 1 19 CYS SG 1.900 . 2.900 3.086 3.002 3.279 0.379 2 0 "[ . 1]" 1
3 1 9 CYS SG 1 29 CYS SG 1.900 . 2.900 3.065 2.970 3.175 0.275 10 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 124
_Distance_constraint_stats_list.Viol_count 38
_Distance_constraint_stats_list.Viol_total 53.882
_Distance_constraint_stats_list.Viol_max 0.519
_Distance_constraint_stats_list.Viol_rms 0.0309
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0043
_Distance_constraint_stats_list.Viol_average_violations_only 0.1418
_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 1 ALA 0.000 0.000 . 0 "[ . 1]"
1 2 CYS 0.000 0.000 . 0 "[ . 1]"
1 3 TYR 0.000 0.000 . 0 "[ . 1]"
1 4 CYS 1.365 0.312 6 0 "[ . 1]"
1 5 ARG 2.448 0.312 6 0 "[ . 1]"
1 6 ILE 2.363 0.348 10 0 "[ . 1]"
1 7 PRO 1.280 0.348 10 0 "[ . 1]"
1 8 ALA 0.000 0.000 . 0 "[ . 1]"
1 9 CYS 0.407 0.142 4 0 "[ . 1]"
1 10 ILE 0.407 0.142 4 0 "[ . 1]"
1 11 ALA 0.000 0.000 . 0 "[ . 1]"
1 12 GLY 0.000 0.000 . 0 "[ . 1]"
1 13 GLU 0.297 0.142 6 0 "[ . 1]"
1 14 ARG 0.297 0.142 6 0 "[ . 1]"
1 15 ARG 0.327 0.107 4 0 "[ . 1]"
1 16 TYR 0.327 0.107 4 0 "[ . 1]"
1 17 GLY 0.000 0.000 . 0 "[ . 1]"
1 18 THR 0.000 0.000 . 0 "[ . 1]"
1 19 CYS 0.000 0.000 . 0 "[ . 1]"
1 20 ILE 0.628 0.519 5 1 "[ + 1]"
1 21 TYR 0.628 0.519 5 1 "[ + 1]"
1 22 GLN 0.000 0.000 . 0 "[ . 1]"
1 23 GLY 0.000 0.000 . 0 "[ . 1]"
1 24 ARG 0.000 0.000 . 0 "[ . 1]"
1 25 LEU 0.000 0.000 . 0 "[ . 1]"
1 26 TRP 0.000 0.000 . 0 "[ . 1]"
1 27 ALA 0.000 0.000 . 0 "[ . 1]"
1 28 PHE 0.000 0.000 . 0 "[ . 1]"
1 29 CYS 0.000 0.000 . 0 "[ . 1]"
1 30 CYS 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 1 ALA CA 1 2 CYS CA 3.800 2.800 4.800 3.808 3.798 3.825 . 0 0 "[ . 1]" 2
2 1 2 CYS CA 1 3 TYR CA 3.800 2.800 4.800 3.790 3.735 3.814 . 0 0 "[ . 1]" 2
3 1 3 TYR CA 1 4 CYS CA 3.800 2.800 4.800 3.789 3.770 3.809 . 0 0 "[ . 1]" 2
4 1 4 CYS CA 1 5 ARG CA 3.800 2.800 4.800 3.813 3.789 3.836 . 0 0 "[ . 1]" 2
5 1 5 ARG CA 1 6 ILE CA 3.800 2.800 4.800 3.723 3.673 3.742 . 0 0 "[ . 1]" 2
6 1 6 ILE CA 1 7 PRO CA 3.800 2.800 4.800 3.824 3.778 3.863 . 0 0 "[ . 1]" 2
7 1 8 ALA CA 1 9 CYS CA 3.800 2.800 4.800 3.789 3.747 3.819 . 0 0 "[ . 1]" 2
8 1 9 CYS CA 1 10 ILE CA 3.800 2.800 4.800 3.780 3.743 3.816 . 0 0 "[ . 1]" 2
9 1 10 ILE CA 1 11 ALA CA 3.800 2.800 4.800 3.802 3.774 3.814 . 0 0 "[ . 1]" 2
10 1 11 ALA CA 1 12 GLY CA 3.800 2.800 4.800 3.809 3.792 3.826 . 0 0 "[ . 1]" 2
11 1 12 GLY CA 1 13 GLU CA 3.800 2.800 4.800 3.804 3.784 3.818 . 0 0 "[ . 1]" 2
12 1 13 GLU CA 1 14 ARG CA 3.800 2.800 4.800 3.815 3.792 3.832 . 0 0 "[ . 1]" 2
13 1 14 ARG CA 1 15 ARG CA 3.800 2.800 4.800 3.799 3.783 3.811 . 0 0 "[ . 1]" 2
14 1 17 GLY CA 1 18 THR CA 3.800 2.800 4.800 3.803 3.786 3.816 . 0 0 "[ . 1]" 2
15 1 18 THR CA 1 19 CYS CA 3.800 2.800 4.800 3.812 3.803 3.825 . 0 0 "[ . 1]" 2
16 1 20 ILE CA 1 21 TYR CA 3.800 2.800 4.800 3.800 3.772 3.813 . 0 0 "[ . 1]" 2
17 1 22 GLN CA 1 23 GLY CA 3.800 2.800 4.800 3.807 3.802 3.814 . 0 0 "[ . 1]" 2
18 1 28 PHE CA 1 29 CYS CA 3.800 2.800 4.800 3.786 3.759 3.806 . 0 0 "[ . 1]" 2
19 1 29 CYS CA 1 30 CYS CA 3.800 2.800 4.800 3.813 3.799 3.822 . 0 0 "[ . 1]" 2
20 1 1 ALA CB 1 2 CYS CA 5.000 2.500 7.500 4.405 4.130 4.709 . 0 0 "[ . 1]" 2
21 1 1 ALA CB 1 2 CYS CB 5.000 2.500 7.500 5.336 4.657 5.893 . 0 0 "[ . 1]" 2
22 1 1 ALA CA 1 2 CYS CB 5.000 2.500 7.500 4.677 4.492 4.807 . 0 0 "[ . 1]" 2
23 1 2 CYS CA 1 3 TYR CB 5.000 2.500 7.500 4.688 4.537 4.807 . 0 0 "[ . 1]" 2
24 1 3 TYR CA 1 4 CYS CB 5.000 2.500 7.500 4.682 4.482 4.798 . 0 0 "[ . 1]" 2
25 1 3 TYR CB 1 4 CYS CB 5.000 2.500 7.500 5.477 5.035 5.669 . 0 0 "[ . 1]" 2
26 1 3 TYR CB 1 4 CYS CA 5.000 2.500 7.500 4.611 4.195 4.928 . 0 0 "[ . 1]" 2
27 1 4 CYS CA 1 5 ARG CB 5.000 2.500 7.500 4.758 4.548 4.867 . 0 0 "[ . 1]" 2
28 1 4 CYS CA 1 5 ARG CG 5.000 2.500 7.500 5.939 5.170 6.227 . 0 0 "[ . 1]" 2
29 1 4 CYS CB 1 5 ARG CD 5.000 2.500 7.500 7.283 6.398 7.812 0.312 6 0 "[ . 1]" 2
30 1 4 CYS CB 1 5 ARG CB 5.000 2.500 7.500 5.423 5.236 5.669 . 0 0 "[ . 1]" 2
31 1 4 CYS CA 1 5 ARG CD 5.000 2.500 7.500 6.645 5.427 7.291 . 0 0 "[ . 1]" 2
32 1 4 CYS CB 1 5 ARG CA 5.000 2.500 7.500 4.408 4.284 4.550 . 0 0 "[ . 1]" 2
33 1 5 ARG CB 1 6 ILE CG1 5.000 2.500 7.500 5.502 4.824 5.983 . 0 0 "[ . 1]" 2
34 1 5 ARG CB 1 6 ILE CD1 5.000 2.500 7.500 5.476 4.500 6.313 . 0 0 "[ . 1]" 2
35 1 5 ARG CB 1 6 ILE CA 5.000 2.500 7.500 4.498 4.192 4.681 . 0 0 "[ . 1]" 2
36 1 5 ARG CD 1 6 ILE CG1 5.000 2.500 7.500 6.718 5.317 7.783 0.283 1 0 "[ . 1]" 2
37 1 5 ARG CG 1 6 ILE CG1 5.000 2.500 7.500 5.502 4.251 6.277 . 0 0 "[ . 1]" 2
38 1 5 ARG CA 1 6 ILE CD1 5.000 2.500 7.500 4.415 3.512 6.103 . 0 0 "[ . 1]" 2
39 1 5 ARG CD 1 6 ILE CD1 5.000 2.500 7.500 6.849 4.915 7.646 0.146 1 0 "[ . 1]" 2
40 1 6 ILE CA 1 7 PRO CG 5.000 2.500 7.500 4.375 4.296 4.443 . 0 0 "[ . 1]" 2
41 1 6 ILE CB 1 7 PRO CD 5.000 2.500 7.500 3.599 3.276 3.931 . 0 0 "[ . 1]" 2
42 1 6 ILE CG1 1 7 PRO CB 5.000 2.500 7.500 6.461 6.084 6.927 . 0 0 "[ . 1]" 2
43 1 6 ILE CG1 1 7 PRO CD 5.000 2.500 7.500 4.915 4.621 5.304 . 0 0 "[ . 1]" 2
44 1 6 ILE CG1 1 7 PRO CG 5.000 2.500 7.500 6.302 5.949 6.752 . 0 0 "[ . 1]" 2
45 1 6 ILE CD1 1 7 PRO CA 5.000 2.500 7.500 6.287 5.079 6.827 . 0 0 "[ . 1]" 2
46 1 6 ILE CD1 1 7 PRO CB 5.000 2.500 7.500 7.274 6.088 7.848 0.348 10 0 "[ . 1]" 2
47 1 6 ILE CA 1 7 PRO CB 5.000 2.500 7.500 4.752 4.686 4.781 . 0 0 "[ . 1]" 2
48 1 7 PRO CD 1 8 ALA CA 5.000 2.500 7.500 5.702 5.213 5.880 . 0 0 "[ . 1]" 2
49 1 7 PRO CD 1 8 ALA CB 5.000 2.500 7.500 5.938 5.419 6.170 . 0 0 "[ . 1]" 2
50 1 7 PRO CA 1 8 ALA CB 5.000 2.500 7.500 4.488 4.351 4.679 . 0 0 "[ . 1]" 2
51 1 7 PRO CB 1 8 ALA CA 5.000 2.500 7.500 4.914 4.721 4.969 . 0 0 "[ . 1]" 2
52 1 7 PRO CG 1 8 ALA CB 5.000 2.500 7.500 6.408 5.406 6.752 . 0 0 "[ . 1]" 2
53 1 8 ALA CA 1 9 CYS CB 5.000 2.500 7.500 4.748 4.337 4.877 . 0 0 "[ . 1]" 2
54 1 8 ALA CB 1 9 CYS CB 5.000 2.500 7.500 5.259 4.791 5.981 . 0 0 "[ . 1]" 2
55 1 8 ALA CB 1 9 CYS CA 5.000 2.500 7.500 4.467 4.173 4.830 . 0 0 "[ . 1]" 2
56 1 9 CYS CB 1 10 ILE CG1 5.000 2.500 7.500 6.318 5.326 7.359 . 0 0 "[ . 1]" 2
57 1 9 CYS CA 1 10 ILE CB 5.000 2.500 7.500 4.815 4.749 4.858 . 0 0 "[ . 1]" 2
58 1 9 CYS CB 1 10 ILE CD1 5.000 2.500 7.500 7.222 5.422 7.642 0.142 4 0 "[ . 1]" 2
59 1 9 CYS CA 1 10 ILE CD1 5.000 2.500 7.500 6.015 5.052 6.409 . 0 0 "[ . 1]" 2
60 1 9 CYS CA 1 10 ILE CG1 5.000 2.500 7.500 5.092 4.725 6.162 . 0 0 "[ . 1]" 2
61 1 9 CYS CB 1 10 ILE CB 5.000 2.500 7.500 6.038 5.642 6.145 . 0 0 "[ . 1]" 2
62 1 10 ILE CB 1 11 ALA CB 5.000 2.500 7.500 5.369 4.998 5.799 . 0 0 "[ . 1]" 2
63 1 10 ILE CB 1 11 ALA CA 5.000 2.500 7.500 4.541 4.453 4.650 . 0 0 "[ . 1]" 2
64 1 10 ILE CA 1 11 ALA CB 5.000 2.500 7.500 4.823 4.756 4.873 . 0 0 "[ . 1]" 2
65 1 10 ILE CD1 1 11 ALA CA 5.000 2.500 7.500 6.832 6.296 7.133 . 0 0 "[ . 1]" 2
66 1 10 ILE CG2 1 11 ALA CA 5.000 2.500 7.500 4.687 3.961 4.917 . 0 0 "[ . 1]" 2
67 1 10 ILE CG1 1 11 ALA CB 5.000 2.500 7.500 6.721 6.227 7.170 . 0 0 "[ . 1]" 2
68 1 11 ALA CB 1 12 GLY CA 5.000 2.500 7.500 4.427 4.198 4.830 . 0 0 "[ . 1]" 2
69 1 12 GLY CA 1 13 GLU CG 5.000 2.500 7.500 5.368 4.467 6.137 . 0 0 "[ . 1]" 2
70 1 12 GLY CA 1 13 GLU CB 5.000 2.500 7.500 4.547 4.417 4.762 . 0 0 "[ . 1]" 2
71 1 13 GLU CA 1 14 ARG CG 5.000 2.500 7.500 4.732 4.444 4.844 . 0 0 "[ . 1]" 2
72 1 13 GLU CB 1 14 ARG CA 5.000 2.500 7.500 4.409 4.240 4.554 . 0 0 "[ . 1]" 2
73 1 13 GLU CG 1 14 ARG CD 5.000 2.500 7.500 7.189 6.581 7.642 0.142 6 0 "[ . 1]" 2
74 1 13 GLU CG 1 14 ARG CB 5.000 2.500 7.500 5.630 4.976 6.858 . 0 0 "[ . 1]" 2
75 1 13 GLU CG 1 14 ARG CG 5.000 2.500 7.500 6.071 5.435 6.862 . 0 0 "[ . 1]" 2
76 1 13 GLU CG 1 14 ARG CA 5.000 2.500 7.500 4.702 4.170 5.869 . 0 0 "[ . 1]" 2
77 1 13 GLU CB 1 14 ARG CG 5.000 2.500 7.500 5.765 5.520 6.047 . 0 0 "[ . 1]" 2
78 1 15 ARG CB 1 16 TYR CA 5.000 2.500 7.500 4.647 4.565 4.824 . 0 0 "[ . 1]" 2
79 1 15 ARG CD 1 16 TYR CB 5.000 2.500 7.500 7.394 6.197 7.607 0.107 4 0 "[ . 1]" 2
80 1 15 ARG CB 1 16 TYR CB 5.000 2.500 7.500 5.742 5.633 6.018 . 0 0 "[ . 1]" 2
81 1 15 ARG CA 1 16 TYR CB 5.000 2.500 7.500 4.653 4.547 4.824 . 0 0 "[ . 1]" 2
82 1 15 ARG CG 1 16 TYR CB 5.000 2.500 7.500 6.243 5.440 7.015 . 0 0 "[ . 1]" 2
83 1 17 GLY CA 1 18 THR CB 5.000 2.500 7.500 4.753 4.610 4.836 . 0 0 "[ . 1]" 2
84 1 17 GLY CA 1 18 THR CG2 5.000 2.500 7.500 4.935 4.474 5.945 . 0 0 "[ . 1]" 2
85 1 18 THR CA 1 19 CYS CB 5.000 2.500 7.500 4.759 4.639 4.791 . 0 0 "[ . 1]" 2
86 1 18 THR CB 1 19 CYS CB 5.000 2.500 7.500 5.614 5.441 5.894 . 0 0 "[ . 1]" 2
87 1 18 THR CB 1 19 CYS CA 5.000 2.500 7.500 4.505 4.377 4.702 . 0 0 "[ . 1]" 2
88 1 18 THR CG2 1 19 CYS CB 5.000 2.500 7.500 6.460 5.086 7.015 . 0 0 "[ . 1]" 2
89 1 18 THR CG2 1 19 CYS CA 5.000 2.500 7.500 5.341 4.347 5.995 . 0 0 "[ . 1]" 2
90 1 19 CYS CA 1 20 ILE CB 5.000 2.500 7.500 4.819 4.787 4.862 . 0 0 "[ . 1]" 2
91 1 19 CYS CB 1 20 ILE CG1 5.000 2.500 7.500 5.937 5.731 6.240 . 0 0 "[ . 1]" 2
92 1 19 CYS CA 1 20 ILE CD1 5.000 2.500 7.500 4.748 4.438 6.094 . 0 0 "[ . 1]" 2
93 1 19 CYS CB 1 20 ILE CG2 5.000 2.500 7.500 7.087 6.955 7.214 . 0 0 "[ . 1]" 2
94 1 19 CYS CB 1 20 ILE CA 5.000 2.500 7.500 4.631 4.513 4.741 . 0 0 "[ . 1]" 2
95 1 19 CYS CB 1 20 ILE CD1 5.000 2.500 7.500 6.119 5.885 7.479 . 0 0 "[ . 1]" 2
96 1 19 CYS CA 1 20 ILE CG2 5.000 2.500 7.500 6.145 6.069 6.211 . 0 0 "[ . 1]" 2
97 1 20 ILE CA 1 21 TYR CB 5.000 2.500 7.500 4.567 4.434 4.727 . 0 0 "[ . 1]" 2
98 1 20 ILE CB 1 21 TYR CA 5.000 2.500 7.500 4.733 4.538 4.849 . 0 0 "[ . 1]" 2
99 1 20 ILE CB 1 21 TYR CB 5.000 2.500 7.500 5.739 5.569 5.902 . 0 0 "[ . 1]" 2
100 1 20 ILE CG1 1 21 TYR CA 5.000 2.500 7.500 6.133 5.898 6.215 . 0 0 "[ . 1]" 2
101 1 20 ILE CD1 1 21 TYR CA 5.000 2.500 7.500 6.576 6.417 7.012 . 0 0 "[ . 1]" 2
102 1 20 ILE CG2 1 21 TYR CB 5.000 2.500 7.500 5.965 5.455 6.290 . 0 0 "[ . 1]" 2
103 1 20 ILE CD1 1 21 TYR CB 5.000 2.500 7.500 7.394 7.219 8.019 0.519 5 1 "[ + 1]" 2
104 1 20 ILE CG1 1 21 TYR CB 5.000 2.500 7.500 7.026 6.839 7.190 . 0 0 "[ . 1]" 2
105 1 21 TYR CB 1 22 GLN CB 5.000 2.500 7.500 4.830 4.750 4.947 . 0 0 "[ . 1]" 2
106 1 21 TYR CA 1 22 GLN CG 5.000 2.500 7.500 5.223 4.710 5.917 . 0 0 "[ . 1]" 2
107 1 21 TYR CA 1 22 GLN CB 5.000 2.500 7.500 4.412 4.372 4.439 . 0 0 "[ . 1]" 2
108 1 22 GLN CB 1 23 GLY CA 5.000 2.500 7.500 4.831 4.805 4.894 . 0 0 "[ . 1]" 2
109 1 22 GLN CG 1 23 GLY CA 5.000 2.500 7.500 5.933 5.487 6.245 . 0 0 "[ . 1]" 2
110 1 23 GLY CA 1 24 ARG CD 5.000 2.500 7.500 6.144 5.690 7.263 . 0 0 "[ . 1]" 2
111 1 23 GLY CA 1 24 ARG CB 5.000 2.500 7.500 4.734 4.616 4.832 . 0 0 "[ . 1]" 2
112 1 23 GLY CA 1 24 ARG CG 5.000 2.500 7.500 4.978 4.470 6.153 . 0 0 "[ . 1]" 2
113 1 25 LEU CB 1 26 TRP CB 5.000 2.500 7.500 5.668 5.519 5.902 . 0 0 "[ . 1]" 2
114 1 25 LEU CB 1 26 TRP CA 5.000 2.500 7.500 4.530 4.399 4.696 . 0 0 "[ . 1]" 2
115 1 26 TRP CA 1 27 ALA CB 5.000 2.500 7.500 4.785 4.668 4.877 . 0 0 "[ . 1]" 2
116 1 26 TRP CB 1 27 ALA CB 5.000 2.500 7.500 5.794 5.610 6.018 . 0 0 "[ . 1]" 2
117 1 26 TRP CB 1 27 ALA CA 5.000 2.500 7.500 4.611 4.443 4.800 . 0 0 "[ . 1]" 2
118 1 27 ALA CA 1 28 PHE CB 5.000 2.500 7.500 4.803 4.763 4.855 . 0 0 "[ . 1]" 2
119 1 27 ALA CB 1 28 PHE CA 5.000 2.500 7.500 4.526 4.335 4.752 . 0 0 "[ . 1]" 2
120 1 27 ALA CB 1 28 PHE CB 5.000 2.500 7.500 5.598 5.323 5.991 . 0 0 "[ . 1]" 2
121 1 28 PHE CB 1 29 CYS CA 5.000 2.500 7.500 4.853 4.799 4.891 . 0 0 "[ . 1]" 2
122 1 29 CYS CB 1 30 CYS CB 5.000 2.500 7.500 5.305 4.721 5.866 . 0 0 "[ . 1]" 2
123 1 29 CYS CB 1 30 CYS CA 5.000 2.500 7.500 4.613 4.279 4.787 . 0 0 "[ . 1]" 2
124 1 29 CYS CA 1 30 CYS CB 5.000 2.500 7.500 4.522 4.331 4.857 . 0 0 "[ . 1]" 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 120
_Distance_constraint_stats_list.Viol_count 208
_Distance_constraint_stats_list.Viol_total 531.664
_Distance_constraint_stats_list.Viol_max 2.268
_Distance_constraint_stats_list.Viol_rms 0.1576
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0443
_Distance_constraint_stats_list.Viol_average_violations_only 0.2556
_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 1 ALA 0.898 0.197 8 0 "[ . 1]"
1 2 CYS 3.336 0.732 1 1 "[+ . 1]"
1 3 TYR 0.322 0.097 4 0 "[ . 1]"
1 4 CYS 6.356 0.757 9 2 "[- . +1]"
1 5 ARG 16.478 0.828 4 5 "[** +*- 1]"
1 6 ILE 6.300 0.801 10 3 "[ * .- +]"
1 7 PRO 11.562 1.213 4 6 "[***+.- * 1]"
1 8 ALA 8.692 1.543 9 5 "[ *-.* *+1]"
1 9 CYS 1.788 0.757 9 1 "[ . +1]"
1 10 ILE 6.957 1.213 4 3 "[ *+. * 1]"
1 11 ALA 2.130 0.801 10 1 "[ . +]"
1 12 GLY 1.571 0.757 9 1 "[ . +1]"
1 13 GLU 1.569 0.499 4 0 "[ . 1]"
1 14 ARG 1.171 0.263 5 0 "[ . 1]"
1 15 ARG 4.774 0.638 8 2 "[ - . + 1]"
1 16 TYR 2.186 0.621 2 2 "[ + .- 1]"
1 17 GLY 0.000 0.000 . 0 "[ . 1]"
1 18 THR 3.071 0.744 5 2 "[ +- 1]"
1 19 CYS 0.511 0.296 1 0 "[ . 1]"
1 20 ILE 0.992 0.463 1 0 "[ . 1]"
1 21 TYR 0.776 0.191 10 0 "[ . 1]"
1 22 GLN 0.744 0.330 6 0 "[ . 1]"
1 23 GLY 0.000 0.000 . 0 "[ . 1]"
1 24 ARG 1.371 0.331 1 0 "[ . 1]"
1 25 LEU 6.449 0.801 10 3 "[ * .- +]"
1 26 TRP 11.537 2.268 10 4 "[ - . **+]"
1 27 ALA 2.361 0.479 4 0 "[ . 1]"
1 28 PHE 6.251 2.268 10 2 "[ . -+]"
1 29 CYS 8.271 1.543 9 4 "[ *-. *+1]"
1 30 CYS 2.373 0.330 6 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 18 THR CA 1 26 TRP CB 5.000 2.500 7.500 4.556 3.914 5.689 . 0 0 "[ . 1]" 3
2 1 26 TRP CB 1 28 PHE CB 5.000 2.500 7.500 7.383 6.201 7.957 0.457 1 0 "[ . 1]" 3
3 1 18 THR CA 1 26 TRP CA 5.000 2.500 7.500 5.010 4.082 5.713 . 0 0 "[ . 1]" 3
4 1 6 ILE CA 1 7 PRO CG 5.000 2.500 7.500 4.368 4.292 4.433 . 0 0 "[ . 1]" 3
5 1 20 ILE CB 1 25 LEU CA 5.000 2.500 7.500 6.588 6.113 7.057 . 0 0 "[ . 1]" 3
6 1 21 TYR CA 1 24 ARG CA 5.000 2.500 7.500 5.209 4.710 5.546 . 0 0 "[ . 1]" 3
7 1 15 ARG CA 1 27 ALA CB 5.000 2.500 7.500 5.260 4.538 7.626 0.126 5 0 "[ . 1]" 3
8 1 15 ARG CA 1 27 ALA CA 5.000 2.500 7.500 4.676 4.133 6.692 . 0 0 "[ . 1]" 3
9 1 2 CYS CA 1 30 CYS CA 5.000 2.500 7.500 3.739 3.614 3.804 . 0 0 "[ . 1]" 3
10 1 4 CYS CB 1 19 CYS CB 5.000 2.500 7.500 5.862 4.632 6.466 . 0 0 "[ . 1]" 3
11 1 13 GLU CA 1 29 CYS CB 5.000 2.500 7.500 6.781 4.527 7.643 0.143 9 0 "[ . 1]" 3
12 1 2 CYS CA 1 30 CYS CB 5.000 2.500 7.500 4.209 3.852 4.510 . 0 0 "[ . 1]" 3
13 1 5 ARG CA 1 27 ALA CB 5.000 2.500 7.500 4.179 3.745 4.616 . 0 0 "[ . 1]" 3
14 1 5 ARG CA 1 27 ALA CA 5.000 2.500 7.500 4.764 4.368 5.868 . 0 0 "[ . 1]" 3
15 1 4 CYS CB 1 27 ALA CA 5.000 2.500 7.500 7.112 6.491 7.979 0.479 4 0 "[ . 1]" 3
16 1 5 ARG CA 1 27 ALA CB 5.000 2.500 7.500 4.635 3.831 6.196 . 0 0 "[ . 1]" 3
17 1 21 TYR CB 1 24 ARG CA 5.000 2.500 7.500 5.659 5.027 6.204 . 0 0 "[ . 1]" 3
18 1 5 ARG CA 1 8 ALA CA 5.000 2.500 7.500 7.358 6.779 7.861 0.361 1 0 "[ . 1]" 3
19 1 13 GLU CB 1 30 CYS CA 5.000 2.500 7.500 6.226 4.508 7.632 0.132 4 0 "[ . 1]" 3
20 1 9 CYS CB 1 29 CYS CB 5.000 2.500 7.500 5.300 3.626 6.192 . 0 0 "[ . 1]" 3
21 1 5 ARG CA 1 8 ALA CB 5.000 2.500 7.500 7.456 6.889 8.265 0.765 6 2 "[ -.+ 1]" 3
22 1 5 ARG CA 1 12 GLY CA 5.000 2.500 7.500 7.424 6.381 7.830 0.330 6 0 "[ . 1]" 3
23 1 5 ARG CA 1 7 PRO CD 5.000 2.500 7.500 6.201 5.990 6.442 . 0 0 "[ . 1]" 3
24 1 5 ARG CA 1 10 ILE CA 5.000 2.500 7.500 7.588 6.701 8.328 0.828 4 1 "[ +. 1]" 3
25 1 5 ARG CA 1 7 PRO CA 5.000 2.500 7.500 6.592 6.414 6.847 . 0 0 "[ . 1]" 3
26 1 3 TYR CA 1 29 CYS CB 5.000 2.500 7.500 6.042 5.025 7.389 . 0 0 "[ . 1]" 3
27 1 5 ARG CB 1 7 PRO CB 5.000 2.500 7.500 7.911 7.684 8.317 0.817 1 3 "[+* .- 1]" 3
28 1 5 ARG CA 1 7 PRO CG 5.000 2.500 7.500 7.474 7.223 7.657 0.157 8 0 "[ . 1]" 3
29 1 4 CYS CB 1 28 PHE CB 5.000 2.500 7.500 6.559 5.383 7.543 0.043 1 0 "[ . 1]" 3
30 1 9 CYS CB 1 29 CYS CA 5.000 2.500 7.500 5.837 3.739 6.520 . 0 0 "[ . 1]" 3
31 1 18 THR CA 1 26 TRP CA 5.000 2.500 7.500 4.975 4.080 5.659 . 0 0 "[ . 1]" 3
32 1 2 CYS CB 1 30 CYS CA 5.000 2.500 7.500 6.109 4.043 7.372 . 0 0 "[ . 1]" 3
33 1 3 TYR CB 1 29 CYS CB 5.000 2.500 7.500 6.448 4.149 7.597 0.097 4 0 "[ . 1]" 3
34 1 5 ARG CB 1 27 ALA CA 5.000 2.500 7.500 4.533 4.044 6.268 . 0 0 "[ . 1]" 3
35 1 13 GLU CG 1 15 ARG CA 5.000 2.500 7.500 6.801 6.183 7.999 0.499 4 0 "[ . 1]" 3
36 1 8 ALA CB 1 29 CYS CA 5.000 2.500 7.500 7.821 6.962 9.043 1.543 9 4 "[ *-. *+1]" 3
37 1 5 ARG CA 1 26 TRP CB 5.000 2.500 7.500 5.213 4.241 6.011 . 0 0 "[ . 1]" 3
38 1 16 TYR CB 1 27 ALA CB 5.000 2.500 7.500 5.445 4.848 5.992 . 0 0 "[ . 1]" 3
39 1 13 GLU CG 1 30 CYS CA 5.000 2.500 7.500 6.406 4.536 7.530 0.030 2 0 "[ . 1]" 3
40 1 13 GLU CG 1 14 ARG CD 5.000 2.500 7.500 5.909 3.928 7.000 . 0 0 "[ . 1]" 3
41 1 14 ARG CB 1 28 PHE CB 5.000 2.500 7.500 6.274 4.676 7.637 0.137 8 0 "[ . 1]" 3
42 1 8 ALA CB 1 26 TRP CB 5.000 2.500 7.500 4.616 3.239 6.887 . 0 0 "[ . 1]" 3
43 1 5 ARG CG 1 26 TRP CA 5.000 2.500 7.500 5.391 3.772 6.704 . 0 0 "[ . 1]" 3
44 1 9 CYS CA 1 29 CYS CB 5.000 2.500 7.500 5.245 4.148 6.101 . 0 0 "[ . 1]" 3
45 1 21 TYR CB 1 24 ARG CD 5.000 2.500 7.500 6.620 4.474 7.539 0.039 3 0 "[ . 1]" 3
46 1 4 CYS CB 1 19 CYS CA 5.000 2.500 7.500 6.621 5.022 7.564 0.064 1 0 "[ . 1]" 3
47 1 15 ARG CB 1 27 ALA CA 5.000 2.500 7.500 4.052 3.524 5.711 . 0 0 "[ . 1]" 3
48 1 5 ARG CD 1 27 ALA CB 5.000 2.500 7.500 4.348 3.706 5.745 . 0 0 "[ . 1]" 3
49 1 25 LEU CB 1 27 ALA CB 5.000 2.500 7.500 6.984 6.142 7.571 0.071 3 0 "[ . 1]" 3
50 1 6 ILE CD1 1 27 ALA CB 5.000 2.500 7.500 7.266 6.505 7.817 0.317 8 0 "[ . 1]" 3
51 1 8 ALA CA 1 10 ILE CB 5.000 2.500 7.500 5.358 5.037 5.717 . 0 0 "[ . 1]" 3
52 1 6 ILE CB 1 8 ALA CB 5.000 2.500 7.500 5.121 4.663 5.795 . 0 0 "[ . 1]" 3
53 1 8 ALA CA 1 24 ARG CA 5.000 2.500 7.500 7.627 7.439 7.831 0.331 1 0 "[ . 1]" 3
54 1 6 ILE CD1 1 8 ALA CB 5.000 2.500 7.500 5.445 4.229 6.585 . 0 0 "[ . 1]" 3
55 1 5 ARG CB 1 7 PRO CG 5.000 2.500 7.500 7.662 7.346 7.936 0.436 4 0 "[ . 1]" 3
56 1 2 CYS CA 1 30 CYS CA 5.000 2.500 7.500 5.959 4.467 7.550 0.050 6 0 "[ . 1]" 3
57 1 2 CYS CA 1 4 CYS CB 5.000 2.500 7.500 7.180 6.218 8.076 0.576 1 1 "[+ . 1]" 3
58 1 2 CYS CB 1 3 TYR CA 5.000 2.500 7.500 4.326 3.802 4.573 . 0 0 "[ . 1]" 3
59 1 20 ILE CA 1 24 ARG CD 5.000 2.500 7.500 6.483 5.422 7.149 . 0 0 "[ . 1]" 3
60 1 21 TYR CA 1 24 ARG CD 5.000 2.500 7.500 6.584 5.146 7.382 . 0 0 "[ . 1]" 3
61 1 15 ARG CB 1 17 GLY CA 5.000 2.500 7.500 5.654 4.498 6.605 . 0 0 "[ . 1]" 3
62 1 2 CYS CB 1 4 CYS CB 5.000 2.500 7.500 7.035 5.806 8.232 0.732 1 1 "[+ . 1]" 3
63 1 3 TYR CA 1 4 CYS CA 5.000 2.500 7.500 3.779 3.753 3.807 . 0 0 "[ . 1]" 3
64 1 5 ARG CA 1 10 ILE CB 5.000 2.500 7.500 7.020 6.341 7.674 0.174 6 0 "[ . 1]" 3
65 1 4 CYS CB 1 10 ILE CB 5.000 2.500 7.500 7.418 6.908 7.691 0.191 10 0 "[ . 1]" 3
66 1 21 TYR CB 1 23 GLY CA 5.000 2.500 7.500 6.327 6.157 6.435 . 0 0 "[ . 1]" 3
67 1 19 CYS CB 1 21 TYR CB 5.000 2.500 7.500 5.825 5.266 6.389 . 0 0 "[ . 1]" 3
68 1 4 CYS CA 1 19 CYS CA 5.000 2.500 7.500 7.073 6.393 7.796 0.296 1 0 "[ . 1]" 3
69 1 4 CYS CB 1 5 ARG CB 5.000 2.500 7.500 5.379 5.156 5.641 . 0 0 "[ . 1]" 3
70 1 5 ARG CB 1 18 THR CB 5.000 2.500 7.500 7.807 7.615 8.244 0.744 5 2 "[ +- 1]" 3
71 1 4 CYS CB 1 9 CYS CB 5.000 2.500 7.500 6.375 4.154 8.257 0.757 9 1 "[ . +1]" 3
72 1 19 CYS CA 1 26 TRP CB 5.000 2.500 7.500 5.034 4.096 6.215 . 0 0 "[ . 1]" 3
73 1 5 ARG CG 1 18 THR CB 5.000 2.500 7.500 6.249 5.048 7.021 . 0 0 "[ . 1]" 3
74 1 5 ARG CD 1 27 ALA CA 5.000 2.500 7.500 4.617 3.953 5.491 . 0 0 "[ . 1]" 3
75 1 20 ILE CD1 1 25 LEU CA 5.000 2.500 7.500 5.755 4.987 7.116 . 0 0 "[ . 1]" 3
76 1 20 ILE CD1 1 25 LEU CG 5.000 2.500 7.500 5.828 5.162 7.526 0.026 5 0 "[ . 1]" 3
77 1 1 ALA CB 1 3 TYR CB 5.000 2.500 7.500 7.138 6.753 7.370 . 0 0 "[ . 1]" 3
78 1 21 TYR CA 1 24 ARG CA 5.000 2.500 7.500 5.374 4.743 5.762 . 0 0 "[ . 1]" 3
79 1 3 TYR CB 1 29 CYS CA 5.000 2.500 7.500 6.606 5.268 7.587 0.087 2 0 "[ . 1]" 3
80 1 3 TYR CB 1 5 ARG CB 5.000 2.500 7.500 5.603 3.473 6.897 . 0 0 "[ . 1]" 3
81 1 9 CYS CA 1 29 CYS CA 5.000 2.500 7.500 5.876 4.765 6.654 . 0 0 "[ . 1]" 3
82 1 4 CYS CB 1 29 CYS CB 5.000 2.500 7.500 7.128 5.993 7.732 0.232 1 0 "[ . 1]" 3
83 1 15 ARG CD 1 27 ALA CA 5.000 2.500 7.500 5.154 3.974 5.975 . 0 0 "[ . 1]" 3
84 1 5 ARG CG 1 29 CYS CA 5.000 2.500 7.500 6.716 4.859 7.772 0.272 2 0 "[ . 1]" 3
85 1 7 PRO CA 1 10 ILE CA 5.000 2.500 7.500 7.580 6.988 8.713 1.213 4 3 "[ -+. * 1]" 3
86 1 21 TYR CA 1 22 GLN CA 5.000 2.500 7.500 3.785 3.777 3.795 . 0 0 "[ . 1]" 3
87 1 20 ILE CG2 1 25 LEU CB 5.000 2.500 7.500 7.348 6.439 7.963 0.463 1 0 "[ . 1]" 3
88 1 5 ARG CA 1 9 CYS CA 5.000 2.500 7.500 6.687 5.967 7.506 0.006 5 0 "[ . 1]" 3
89 1 5 ARG CB 1 26 TRP CA 5.000 2.500 7.500 4.756 3.608 6.863 . 0 0 "[ . 1]" 3
90 1 5 ARG CG 1 26 TRP CB 5.000 2.500 7.500 5.944 3.362 6.871 . 0 0 "[ . 1]" 3
91 1 15 ARG CA 1 26 TRP CB 5.000 2.500 7.500 7.621 6.711 8.138 0.638 8 2 "[ - . + 1]" 3
92 1 5 ARG CB 1 26 TRP CB 5.000 2.500 7.500 5.443 3.836 6.406 . 0 0 "[ . 1]" 3
93 1 5 ARG CG 1 27 ALA CA 5.000 2.500 7.500 5.265 4.476 7.555 0.055 9 0 "[ . 1]" 3
94 1 5 ARG CG 1 27 ALA CA 5.000 2.500 7.500 4.317 3.417 5.057 . 0 0 "[ . 1]" 3
95 1 5 ARG CB 1 27 ALA CB 5.000 2.500 7.500 4.253 3.419 6.261 . 0 0 "[ . 1]" 3
96 1 21 TYR CB 1 24 ARG CG 5.000 2.500 7.500 6.392 4.937 7.154 . 0 0 "[ . 1]" 3
97 1 6 ILE CA 1 25 LEU CB 5.000 2.500 7.500 7.716 7.475 8.121 0.621 2 2 "[ + .- 1]" 3
98 1 20 ILE CG1 1 25 LEU CB 5.000 2.500 7.500 7.139 6.697 7.487 . 0 0 "[ . 1]" 3
99 1 6 ILE CA 1 8 ALA CB 5.000 2.500 7.500 5.329 5.005 5.810 . 0 0 "[ . 1]" 3
100 1 5 ARG CA 1 9 CYS CB 5.000 2.500 7.500 6.559 5.209 7.755 0.255 8 0 "[ . 1]" 3
101 1 1 ALA CA 1 30 CYS CA 5.000 2.500 7.500 7.566 7.262 7.697 0.197 8 0 "[ . 1]" 3
102 1 6 ILE CG2 1 8 ALA CB 5.000 2.500 7.500 5.860 4.748 6.867 . 0 0 "[ . 1]" 3
103 1 15 ARG CD 1 27 ALA CB 5.000 2.500 7.500 5.434 4.057 7.205 . 0 0 "[ . 1]" 3
104 1 26 TRP CD2 1 28 PHE CB 5.000 2.500 7.500 7.497 6.153 9.768 2.268 10 2 "[ . -+]" 3
105 1 9 CYS CB 1 11 ALA CB 5.000 2.500 7.500 6.567 5.911 7.754 0.254 9 0 "[ . 1]" 3
106 1 15 ARG CG 1 27 ALA CB 5.000 2.500 7.500 5.227 3.551 6.971 . 0 0 "[ . 1]" 3
107 1 20 ILE CG2 1 25 LEU CD2 5.000 2.500 7.500 6.208 5.486 7.550 0.050 8 0 "[ . 1]" 3
108 1 7 PRO CB 1 27 ALA CB 5.000 2.500 7.500 6.598 4.249 7.763 0.263 5 0 "[ . 1]" 3
109 1 6 ILE CG2 1 8 ALA CB 5.000 2.500 7.500 5.920 4.758 6.929 . 0 0 "[ . 1]" 3
110 1 5 ARG CA 1 10 ILE CD1 5.000 2.500 7.500 6.169 4.558 7.559 0.059 4 0 "[ . 1]" 3
111 1 5 ARG CD 1 10 ILE CG1 5.000 2.500 7.500 5.514 4.578 7.235 . 0 0 "[ . 1]" 3
112 1 5 ARG CB 1 8 ALA CB 5.000 2.500 7.500 5.089 4.765 5.814 . 0 0 "[ . 1]" 3
113 1 7 PRO CD 1 10 ILE CD1 5.000 2.500 7.500 7.038 5.689 7.832 0.332 8 0 "[ . 1]" 3
114 1 18 THR CG2 1 20 ILE CD1 5.000 2.500 7.500 6.031 4.432 7.496 . 0 0 "[ . 1]" 3
115 1 6 ILE CD1 1 26 TRP CA 5.000 2.500 7.500 7.569 7.031 7.925 0.425 4 0 "[ . 1]" 3
116 1 6 ILE CD1 1 8 ALA CA 5.000 2.500 7.500 6.151 4.550 7.134 . 0 0 "[ . 1]" 3
117 1 4 CYS CA 1 6 ILE CD1 5.000 2.500 7.500 5.242 4.047 7.527 0.027 3 0 "[ . 1]" 3
118 1 20 ILE CB 1 24 ARG CG 5.000 2.500 7.500 6.718 6.091 6.971 . 0 0 "[ . 1]" 3
119 1 20 ILE CB 1 24 ARG CA 5.000 2.500 7.500 5.868 4.987 6.373 . 0 0 "[ . 1]" 3
120 1 6 ILE CG1 1 11 ALA CA 5.000 2.500 7.500 7.326 6.277 8.301 0.801 10 1 "[ . +]" 3
stop_
save_
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