NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
433467 |
2juv   |
15455 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2juv
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 28
_Distance_constraint_stats_list.Viol_count 46
_Distance_constraint_stats_list.Viol_total 5439.600
_Distance_constraint_stats_list.Viol_max 14.943
_Distance_constraint_stats_list.Viol_rms 3.1768
_Distance_constraint_stats_list.Viol_average_all_restraints 0.8634
_Distance_constraint_stats_list.Viol_average_violations_only 7.8835
_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 GLY 215.935 14.943 11 15 [**********+-***]
1 2 ILE 146.208 10.303 2 15 [*+************-]
1 3 ABA 0.000 0.000 . 0 "[ . 1 .]"
1 4 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 5 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 6 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 7 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 8 THR 0.000 0.000 . 0 "[ . 1 .]"
2 1 PHE 0.174 0.053 14 0 "[ . 1 .]"
2 2 VAL 0.000 0.000 . 0 "[ . 1 .]"
2 3 ASN 0.186 0.053 14 0 "[ . 1 .]"
2 4 GLN 0.000 0.000 . 0 "[ . 1 .]"
2 5 HIS 0.253 0.083 3 0 "[ . 1 .]"
2 6 LEU 0.070 0.032 6 0 "[ . 1 .]"
2 7 CYS 0.241 0.083 3 0 "[ . 1 .]"
2 8 GLY 0.070 0.032 6 0 "[ . 1 .]"
2 9 SER 0.000 0.000 . 0 "[ . 1 .]"
2 10 ASP 0.000 0.000 . 0 "[ . 1 .]"
2 11 LEU 0.000 0.000 . 0 "[ . 1 .]"
2 12 VAL 0.000 0.000 . 0 "[ . 1 .]"
2 13 GLU 0.000 0.000 . 0 "[ . 1 .]"
2 14 ALA 0.000 0.000 . 0 "[ . 1 .]"
2 15 LEU 0.000 0.000 . 0 "[ . 1 .]"
2 16 TYR 0.000 0.000 . 0 "[ . 1 .]"
2 17 LEU 0.000 0.000 . 0 "[ . 1 .]"
2 18 VAL 0.000 0.000 . 0 "[ . 1 .]"
2 19 CYS 0.000 0.000 . 0 "[ . 1 .]"
2 20 GLY 0.000 0.000 . 0 "[ . 1 .]"
2 21 GLU 215.935 14.943 11 15 [**********+-***]
2 22 ARG 146.208 10.303 2 15 [*+************-]
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 2 1 PHE CA 2 3 ASN CA . 4.700 7.200 7.080 6.674 7.253 0.053 14 0 "[ . 1 .]" 1
2 2 2 VAL CA 2 4 GLN CA . 4.700 7.200 6.058 5.706 6.457 . 0 0 "[ . 1 .]" 1
3 2 3 ASN CA 2 5 HIS CA . 4.700 7.200 7.065 6.912 7.212 0.012 8 0 "[ . 1 .]" 1
4 2 4 GLN CA 2 6 LEU CA . 4.700 7.200 6.729 6.632 6.851 . 0 0 "[ . 1 .]" 1
5 2 5 HIS CA 2 7 CYS CA . 4.700 7.200 7.168 6.916 7.283 0.083 3 0 "[ . 1 .]" 1
6 2 6 LEU CA 2 8 GLY CA . 4.700 7.200 7.159 7.082 7.232 0.032 6 0 "[ . 1 .]" 1
7 2 7 CYS CA 2 9 SER CA . 4.700 7.200 6.447 6.350 6.536 . 0 0 "[ . 1 .]" 1
8 2 8 GLY CA 2 10 ASP CA . 4.700 7.200 5.254 5.129 5.367 . 0 0 "[ . 1 .]" 1
9 2 9 SER CA 2 11 LEU CA . 4.700 7.200 5.321 5.203 5.443 . 0 0 "[ . 1 .]" 1
10 2 10 ASP CA 2 12 VAL CA . 4.700 7.200 5.573 5.442 5.700 . 0 0 "[ . 1 .]" 1
11 2 11 LEU CA 2 13 GLU CA . 4.700 7.200 5.550 5.328 5.876 . 0 0 "[ . 1 .]" 1
12 2 12 VAL CA 2 14 ALA CA . 4.700 7.200 5.079 4.962 5.211 . 0 0 "[ . 1 .]" 1
13 2 13 GLU CA 2 15 LEU CA . 4.700 7.200 5.749 5.572 5.913 . 0 0 "[ . 1 .]" 1
14 2 14 ALA CA 2 16 TYR CA . 4.700 7.200 5.295 5.165 5.483 . 0 0 "[ . 1 .]" 1
15 2 15 LEU CA 2 17 LEU CA . 4.700 7.200 5.444 5.139 5.711 . 0 0 "[ . 1 .]" 1
16 2 16 TYR CA 2 18 VAL CA . 4.700 7.200 5.631 5.293 5.878 . 0 0 "[ . 1 .]" 1
17 2 17 LEU CA 2 19 CYS CA . 4.700 7.200 5.386 5.054 5.934 . 0 0 "[ . 1 .]" 1
18 2 18 VAL CA 2 20 GLY CA . 4.700 7.200 6.265 5.701 6.536 . 0 0 "[ . 1 .]" 1
19 2 19 CYS CA 2 21 GLU CA . 4.700 7.200 6.216 5.693 6.597 . 0 0 "[ . 1 .]" 1
20 2 20 GLY CA 2 22 ARG CA . 4.700 7.200 5.355 5.187 5.581 . 0 0 "[ . 1 .]" 1
21 1 1 GLY CA 2 21 GLU CA . 4.700 7.200 21.596 20.877 22.143 14.943 11 15 [**********+-***] 1
22 1 2 ILE CA 2 22 ARG CA . 4.700 7.200 16.947 16.521 17.503 10.303 2 15 [*+************-] 1
23 1 1 GLY CA 1 3 ABA CA . 4.700 7.200 5.650 5.141 6.248 . 0 0 "[ . 1 .]" 1
24 1 2 ILE CA 1 4 GLU CA . 4.700 7.200 5.678 5.316 6.584 . 0 0 "[ . 1 .]" 1
25 1 3 ABA CA 1 5 GLN CA . 4.700 7.200 5.208 4.969 5.592 . 0 0 "[ . 1 .]" 1
26 1 4 GLU CA 1 6 CYS CA . 4.700 7.200 5.704 5.297 6.008 . 0 0 "[ . 1 .]" 1
27 1 5 GLN CA 1 7 CYS CA . 4.700 7.200 5.493 5.214 5.705 . 0 0 "[ . 1 .]" 1
28 1 6 CYS CA 1 8 THR CA . 4.700 7.200 5.916 5.508 6.215 . 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 216
_Distance_constraint_stats_list.Viol_count 220
_Distance_constraint_stats_list.Viol_total 1230.654
_Distance_constraint_stats_list.Viol_max 2.991
_Distance_constraint_stats_list.Viol_rms 0.2032
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0253
_Distance_constraint_stats_list.Viol_average_violations_only 0.3729
_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 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 2 ILE 33.237 2.768 2 15 [*+******-******]
1 3 ABA 1.987 0.165 12 0 "[ . 1 .]"
1 4 GLU 37.105 2.991 9 15 [********+******]
1 5 GLN 5.368 0.485 13 0 "[ . 1 .]"
1 6 CYS 4.466 0.485 13 0 "[ . 1 .]"
1 7 CYS 1.028 0.393 10 0 "[ . 1 .]"
1 8 THR 0.000 0.000 . 0 "[ . 1 .]"
2 1 PHE 0.000 0.000 . 0 "[ . 1 .]"
2 2 VAL 0.067 0.025 12 0 "[ . 1 .]"
2 3 ASN 2.426 0.270 8 0 "[ . 1 .]"
2 4 GLN 1.385 0.199 14 0 "[ . 1 .]"
2 5 HIS 0.000 0.000 . 0 "[ . 1 .]"
2 6 LEU 0.824 0.098 6 0 "[ . 1 .]"
2 7 CYS 0.088 0.076 15 0 "[ . 1 .]"
2 8 GLY 0.000 0.000 . 0 "[ . 1 .]"
2 9 SER 1.558 0.139 8 0 "[ . 1 .]"
2 10 ASP 2.067 0.139 8 0 "[ . 1 .]"
2 11 LEU 0.382 0.145 9 0 "[ . 1 .]"
2 12 VAL 0.000 0.000 . 0 "[ . 1 .]"
2 13 GLU 0.000 0.000 . 0 "[ . 1 .]"
2 14 ALA 1.099 0.113 4 0 "[ . 1 .]"
2 15 LEU 31.887 2.991 9 15 [****-***+******]
2 16 TYR 30.989 2.768 2 15 [*+************-]
2 17 LEU 1.824 0.159 14 0 "[ . 1 .]"
2 18 VAL 2.123 0.159 14 0 "[ . 1 .]"
2 19 CYS 0.887 0.091 15 0 "[ . 1 .]"
2 20 GLY 0.040 0.031 3 0 "[ . 1 .]"
2 21 GLU 0.143 0.114 7 0 "[ . 1 .]"
2 22 ARG 0.647 0.180 1 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 2 1 PHE HA 2 2 VAL MG1 3.000 . 6.000 4.267 3.426 4.952 . 0 0 "[ . 1 .]" 2
2 2 1 PHE HA 2 2 VAL MG2 3.000 . 6.000 4.149 3.039 4.906 . 0 0 "[ . 1 .]" 2
3 2 2 VAL H 2 3 ASN HA 3.000 . 5.000 4.760 4.569 5.025 0.025 12 0 "[ . 1 .]" 2
4 2 2 VAL HA 2 2 VAL MG1 2.700 . 4.400 2.174 1.903 2.361 . 0 0 "[ . 1 .]" 2
5 2 2 VAL HA 2 2 VAL MG2 2.700 . 4.400 3.134 2.931 3.196 . 0 0 "[ . 1 .]" 2
6 2 2 VAL H 2 2 VAL HB 2.700 . 4.400 3.757 3.547 3.910 . 0 0 "[ . 1 .]" 2
7 2 2 VAL H 2 2 VAL MG1 2.700 . 6.000 3.270 2.828 3.951 . 0 0 "[ . 1 .]" 2
8 2 2 VAL H 2 2 VAL MG2 2.700 . 3.700 2.106 1.828 2.391 . 0 0 "[ . 1 .]" 2
9 2 3 ASN H 2 3 ASN HB3 2.700 . 3.700 3.569 3.047 3.970 0.270 8 0 "[ . 1 .]" 2
10 2 3 ASN H 2 3 ASN HB2 2.700 . 3.700 2.975 2.322 3.825 0.125 13 0 "[ . 1 .]" 2
11 2 2 VAL MG1 2 3 ASN H 3.000 . 4.400 3.355 2.293 3.718 . 0 0 "[ . 1 .]" 2
12 2 2 VAL MG2 2 3 ASN H 3.000 . 4.400 3.005 1.860 3.635 . 0 0 "[ . 1 .]" 2
13 2 3 ASN H 2 4 GLN QB 3.000 . 4.400 3.703 3.171 4.121 . 0 0 "[ . 1 .]" 2
14 2 3 ASN HB3 2 4 GLN HA 3.000 . 6.000 4.736 4.334 5.849 . 0 0 "[ . 1 .]" 2
15 2 3 ASN HB2 2 4 GLN HA 3.000 . 6.000 5.092 4.555 5.696 . 0 0 "[ . 1 .]" 2
16 2 2 VAL MG1 2 4 GLN H 3.000 . 6.000 4.884 4.645 5.058 . 0 0 "[ . 1 .]" 2
17 2 2 VAL MG2 2 4 GLN H 3.000 . 6.000 3.318 2.314 4.323 . 0 0 "[ . 1 .]" 2
18 2 3 ASN HA 2 4 GLN H 2.700 . 2.700 2.569 2.405 2.686 . 0 0 "[ . 1 .]" 2
19 2 3 ASN HB3 2 4 GLN H 3.000 . 4.400 4.344 4.270 4.592 0.192 3 0 "[ . 1 .]" 2
20 2 3 ASN HB2 2 4 GLN H 3.000 . 4.400 4.446 4.284 4.599 0.199 14 0 "[ . 1 .]" 2
21 2 4 GLN HA 2 4 GLN QG 2.700 . 4.400 2.249 1.988 2.618 . 0 0 "[ . 1 .]" 2
22 2 4 GLN H 2 4 GLN QB 2.700 . 4.400 2.508 2.354 2.696 . 0 0 "[ . 1 .]" 2
23 2 4 GLN H 2 4 GLN QG 2.700 . 4.400 4.040 3.947 4.109 . 0 0 "[ . 1 .]" 2
24 2 5 HIS H 2 5 HIS HB3 2.700 . 3.700 3.605 3.573 3.664 . 0 0 "[ . 1 .]" 2
25 2 5 HIS H 2 5 HIS HB2 2.700 . 5.000 2.891 2.695 3.040 . 0 0 "[ . 1 .]" 2
26 2 5 HIS HB3 2 5 HIS HD2 3.000 . 4.400 2.963 2.727 3.890 . 0 0 "[ . 1 .]" 2
27 2 5 HIS HB2 2 5 HIS HD2 3.000 . 4.400 3.698 2.733 3.978 . 0 0 "[ . 1 .]" 2
28 2 4 GLN QB 2 5 HIS H 3.000 . 4.400 3.079 2.497 3.545 . 0 0 "[ . 1 .]" 2
29 2 4 GLN H 2 5 HIS H 3.000 . 5.000 4.482 4.359 4.569 . 0 0 "[ . 1 .]" 2
30 2 5 HIS H 2 5 HIS HD2 3.000 . 5.000 3.951 2.441 4.619 . 0 0 "[ . 1 .]" 2
31 2 6 LEU HA 2 10 ASP HB3 3.000 . 6.000 3.155 2.974 3.482 . 0 0 "[ . 1 .]" 2
32 2 6 LEU HA 2 10 ASP HB2 3.000 . 6.000 3.010 2.922 3.280 . 0 0 "[ . 1 .]" 2
33 2 6 LEU HA 2 6 LEU MD1 2.700 . 3.700 1.770 1.728 1.803 . 0 0 "[ . 1 .]" 2
34 2 6 LEU HA 2 6 LEU MD2 2.700 . 6.000 3.419 2.499 3.675 . 0 0 "[ . 1 .]" 2
35 2 6 LEU HA 2 11 LEU QD 3.000 . 6.000 4.073 3.688 4.273 . 0 0 "[ . 1 .]" 2
36 2 6 LEU HA 2 6 LEU HG 2.700 . 6.000 3.090 2.938 3.538 . 0 0 "[ . 1 .]" 2
37 2 7 CYS H 2 7 CYS HB3 2.700 . 5.000 3.902 3.803 4.127 . 0 0 "[ . 1 .]" 2
38 2 7 CYS H 2 7 CYS HB2 2.700 . 3.400 3.277 3.177 3.411 0.011 10 0 "[ . 1 .]" 2
39 2 7 CYS HA 2 11 LEU HB3 3.000 . 5.200 4.031 3.561 4.507 . 0 0 "[ . 1 .]" 2
40 2 7 CYS HA 2 11 LEU HB2 3.000 . 5.000 2.713 2.165 3.150 . 0 0 "[ . 1 .]" 2
41 2 7 CYS HA 2 11 LEU QD 3.000 . 6.000 2.924 2.465 3.269 . 0 0 "[ . 1 .]" 2
42 2 6 LEU HB3 2 7 CYS HB3 3.000 . 7.000 5.791 5.636 5.958 . 0 0 "[ . 1 .]" 2
43 2 6 LEU HB2 2 7 CYS HB3 3.000 . 7.000 6.951 6.883 7.076 0.076 15 0 "[ . 1 .]" 2
44 2 6 LEU HB3 2 7 CYS HB2 3.000 . 7.000 4.791 4.648 6.009 . 0 0 "[ . 1 .]" 2
45 2 6 LEU HB2 2 7 CYS HB2 3.000 . 7.000 5.661 5.506 6.969 . 0 0 "[ . 1 .]" 2
46 2 6 LEU MD1 2 7 CYS HA 3.000 . 6.500 4.931 3.646 5.360 . 0 0 "[ . 1 .]" 2
47 2 6 LEU MD2 2 7 CYS HA 3.000 . 6.800 5.634 5.445 5.872 . 0 0 "[ . 1 .]" 2
48 2 7 CYS HA 2 8 GLY H 3.000 . 5.000 2.263 2.197 2.358 . 0 0 "[ . 1 .]" 2
49 2 7 CYS HB3 2 8 GLY H 3.000 . 6.000 3.232 2.983 3.432 . 0 0 "[ . 1 .]" 2
50 2 7 CYS HB2 2 8 GLY H 3.000 . 6.000 4.278 3.670 4.421 . 0 0 "[ . 1 .]" 2
51 2 8 GLY H 2 8 GLY QA 2.700 . 2.700 2.245 2.235 2.253 . 0 0 "[ . 1 .]" 2
52 2 9 SER H 2 9 SER QB 2.700 . 4.400 2.350 2.067 2.924 . 0 0 "[ . 1 .]" 2
53 2 8 GLY QA 2 9 SER H 3.000 . 4.400 2.201 2.181 2.224 . 0 0 "[ . 1 .]" 2
54 2 9 SER H 2 10 ASP H 3.000 . 3.400 2.778 2.686 2.858 . 0 0 "[ . 1 .]" 2
55 2 6 LEU MD1 2 10 ASP HA 3.000 . 6.000 3.524 3.190 3.688 . 0 0 "[ . 1 .]" 2
56 2 6 LEU MD2 2 10 ASP HA 3.000 . 6.000 4.950 4.894 5.008 . 0 0 "[ . 1 .]" 2
57 2 10 ASP HA 2 13 GLU QB 3.000 . 4.400 2.925 1.980 3.486 . 0 0 "[ . 1 .]" 2
58 2 6 LEU HB3 2 10 ASP HB3 3.000 . 5.400 4.950 4.607 5.218 . 0 0 "[ . 1 .]" 2
59 2 6 LEU HB3 2 10 ASP HB2 3.000 . 5.400 4.270 3.915 4.759 . 0 0 "[ . 1 .]" 2
60 2 6 LEU HB2 2 10 ASP HB3 3.000 . 5.400 5.325 5.061 5.498 0.098 6 0 "[ . 1 .]" 2
61 2 6 LEU HB2 2 10 ASP HB2 3.000 . 5.400 5.151 4.915 5.498 0.098 6 0 "[ . 1 .]" 2
62 2 6 LEU MD1 2 10 ASP HB3 3.000 . 5.400 1.855 1.820 1.921 . 0 0 "[ . 1 .]" 2
63 2 6 LEU MD1 2 10 ASP HB2 3.000 . 5.400 2.504 2.179 2.761 . 0 0 "[ . 1 .]" 2
64 2 6 LEU MD2 2 10 ASP HB3 3.000 . 5.400 4.092 3.316 4.379 . 0 0 "[ . 1 .]" 2
65 2 6 LEU MD2 2 10 ASP HB2 3.000 . 5.400 4.470 4.187 4.585 . 0 0 "[ . 1 .]" 2
66 2 8 GLY QA 2 10 ASP H 3.000 . 4.400 3.406 3.228 3.644 . 0 0 "[ . 1 .]" 2
67 2 9 SER HA 2 10 ASP H 3.000 . 3.400 3.504 3.466 3.539 0.139 8 0 "[ . 1 .]" 2
68 2 10 ASP H 2 11 LEU H 3.000 . 3.400 2.790 2.630 3.038 . 0 0 "[ . 1 .]" 2
69 2 10 ASP H 2 10 ASP HB3 2.700 . 3.700 3.614 3.592 3.634 . 0 0 "[ . 1 .]" 2
70 2 10 ASP H 2 10 ASP HB2 2.700 . 3.400 2.719 2.608 2.807 . 0 0 "[ . 1 .]" 2
71 2 11 LEU HA 2 11 LEU QD 2.700 . 4.400 1.789 1.757 1.817 . 0 0 "[ . 1 .]" 2
72 2 11 LEU HA 2 11 LEU HG 2.700 . 3.700 3.119 2.941 3.213 . 0 0 "[ . 1 .]" 2
73 2 6 LEU HG 2 11 LEU HA 3.000 . 5.000 2.033 1.893 2.471 . 0 0 "[ . 1 .]" 2
74 2 11 LEU HB3 2 11 LEU QD 2.700 . 5.400 2.426 2.347 2.496 . 0 0 "[ . 1 .]" 2
75 2 11 LEU HB2 2 11 LEU QD 2.700 . 5.400 2.019 1.949 2.107 . 0 0 "[ . 1 .]" 2
76 2 11 LEU H 2 11 LEU HB3 2.700 . 4.400 2.738 2.620 2.846 . 0 0 "[ . 1 .]" 2
77 2 11 LEU H 2 11 LEU HB2 2.700 . 4.400 2.390 2.271 2.520 . 0 0 "[ . 1 .]" 2
78 2 11 LEU H 2 11 LEU HG 2.700 . 5.000 4.607 4.564 4.635 . 0 0 "[ . 1 .]" 2
79 2 11 LEU QD 2 15 LEU QD 3.000 . 5.400 2.588 2.320 2.887 . 0 0 "[ . 1 .]" 2
80 2 6 LEU HB3 2 11 LEU HA 3.000 . 4.400 3.204 2.763 3.586 . 0 0 "[ . 1 .]" 2
81 2 6 LEU HB2 2 11 LEU HA 3.000 . 4.400 4.260 4.005 4.492 0.092 14 0 "[ . 1 .]" 2
82 2 6 LEU MD1 2 11 LEU HA 3.000 . 4.700 3.221 1.778 3.747 . 0 0 "[ . 1 .]" 2
83 2 6 LEU MD2 2 11 LEU HA 3.000 . 4.400 2.549 1.936 3.790 . 0 0 "[ . 1 .]" 2
84 2 11 LEU HG 2 15 LEU QD 3.000 . 4.400 2.357 2.097 2.541 . 0 0 "[ . 1 .]" 2
85 2 11 LEU HA 2 14 ALA MB 3.000 . 4.400 3.074 2.812 3.364 . 0 0 "[ . 1 .]" 2
86 2 12 VAL HA 2 13 GLU QG 3.000 . 6.400 5.334 5.021 5.751 . 0 0 "[ . 1 .]" 2
87 2 12 VAL HA 2 15 LEU QD 3.000 . 4.400 3.159 2.892 3.320 . 0 0 "[ . 1 .]" 2
88 2 12 VAL HA 2 15 LEU HG 3.000 . 5.000 3.117 2.292 3.601 . 0 0 "[ . 1 .]" 2
89 2 12 VAL HA 2 12 VAL MG1 2.700 . 4.400 2.597 2.541 2.660 . 0 0 "[ . 1 .]" 2
90 2 12 VAL HA 2 12 VAL MG2 2.700 . 4.400 3.153 3.140 3.170 . 0 0 "[ . 1 .]" 2
91 2 12 VAL HA 2 15 LEU HB3 2.700 . 4.400 3.606 3.442 3.806 . 0 0 "[ . 1 .]" 2
92 2 12 VAL HA 2 15 LEU HB2 2.700 . 4.400 1.946 1.853 2.123 . 0 0 "[ . 1 .]" 2
93 2 12 VAL H 2 12 VAL HB 2.700 . 3.700 3.610 3.586 3.696 . 0 0 "[ . 1 .]" 2
94 2 12 VAL H 2 12 VAL MG1 2.700 . 4.400 1.878 1.818 2.041 . 0 0 "[ . 1 .]" 2
95 2 12 VAL H 2 12 VAL MG2 2.700 . 4.400 2.641 2.536 2.727 . 0 0 "[ . 1 .]" 2
96 2 13 GLU H 2 13 GLU QB 2.700 . 3.400 2.185 2.052 2.305 . 0 0 "[ . 1 .]" 2
97 2 13 GLU H 2 13 GLU QG 2.700 . 4.400 2.905 2.443 3.440 . 0 0 "[ . 1 .]" 2
98 2 12 VAL MG1 2 13 GLU QB 3.000 . 6.700 4.743 4.696 4.842 . 0 0 "[ . 1 .]" 2
99 2 12 VAL MG2 2 13 GLU QB 3.000 . 5.400 3.049 2.971 3.204 . 0 0 "[ . 1 .]" 2
100 2 12 VAL MG2 2 13 GLU HA 3.000 . 6.000 2.854 2.746 3.011 . 0 0 "[ . 1 .]" 2
101 2 13 GLU HA 2 16 TYR HB3 3.000 . 4.400 3.794 3.582 4.016 . 0 0 "[ . 1 .]" 2
102 2 13 GLU HA 2 16 TYR HB2 3.000 . 4.400 2.987 2.680 3.357 . 0 0 "[ . 1 .]" 2
103 2 10 ASP HA 2 13 GLU H 3.000 . 5.000 3.698 3.385 3.900 . 0 0 "[ . 1 .]" 2
104 2 12 VAL HA 2 13 GLU H 3.000 . 5.000 3.558 3.509 3.575 . 0 0 "[ . 1 .]" 2
105 2 12 VAL MG1 2 13 GLU H 3.000 . 5.000 3.327 3.166 3.522 . 0 0 "[ . 1 .]" 2
106 2 12 VAL MG2 2 13 GLU H 3.000 . 4.000 1.893 1.792 2.058 . 0 0 "[ . 1 .]" 2
107 2 12 VAL H 2 13 GLU H 3.000 . 5.000 2.553 2.319 2.705 . 0 0 "[ . 1 .]" 2
108 2 13 GLU H 2 14 ALA MB 3.000 . 6.000 4.473 4.356 4.595 . 0 0 "[ . 1 .]" 2
109 2 13 GLU H 2 14 ALA H 3.000 . 3.400 2.744 2.683 2.849 . 0 0 "[ . 1 .]" 2
110 2 14 ALA HA 2 18 VAL HB 3.000 . 6.400 6.174 5.811 6.413 0.013 13 0 "[ . 1 .]" 2
111 2 12 VAL MG1 2 14 ALA H 3.000 . 6.000 4.859 4.717 4.966 . 0 0 "[ . 1 .]" 2
112 2 12 VAL MG2 2 14 ALA H 3.000 . 6.000 4.056 3.897 4.197 . 0 0 "[ . 1 .]" 2
113 2 13 GLU QB 2 14 ALA H 3.000 . 4.400 3.434 3.197 3.539 . 0 0 "[ . 1 .]" 2
114 2 14 ALA H 2 15 LEU HA 3.000 . 5.000 5.072 5.025 5.113 0.113 4 0 "[ . 1 .]" 2
115 2 11 LEU HA 2 14 ALA H 3.000 . 5.000 3.696 3.459 4.018 . 0 0 "[ . 1 .]" 2
116 2 11 LEU QD 2 14 ALA H 3.000 . 8.000 4.304 3.996 4.784 . 0 0 "[ . 1 .]" 2
117 2 14 ALA H 2 14 ALA MB 2.700 . 4.400 2.247 2.127 2.333 . 0 0 "[ . 1 .]" 2
118 2 15 LEU HA 2 15 LEU QD 2.700 . 3.700 1.806 1.738 1.930 . 0 0 "[ . 1 .]" 2
119 2 15 LEU HA 2 15 LEU HG 2.700 . 3.400 3.196 2.875 3.421 0.021 8 0 "[ . 1 .]" 2
120 2 15 LEU HB3 2 15 LEU QD 2.500 . 4.700 2.073 1.991 2.141 . 0 0 "[ . 1 .]" 2
121 2 15 LEU HB2 2 15 LEU QD 2.500 . 4.700 2.432 2.386 2.480 . 0 0 "[ . 1 .]" 2
122 2 15 LEU H 2 15 LEU HB3 2.700 . 3.700 3.592 3.547 3.626 . 0 0 "[ . 1 .]" 2
123 2 15 LEU H 2 15 LEU HB2 2.700 . 3.700 2.421 2.245 2.616 . 0 0 "[ . 1 .]" 2
124 2 15 LEU H 2 15 LEU QD 2.700 . 4.400 2.781 2.307 3.199 . 0 0 "[ . 1 .]" 2
125 2 15 LEU H 2 15 LEU HG 2.700 . 3.400 2.321 2.208 2.509 . 0 0 "[ . 1 .]" 2
126 2 14 ALA MB 2 15 LEU HA 3.000 . 6.000 3.750 3.640 3.821 . 0 0 "[ . 1 .]" 2
127 2 12 VAL HA 2 15 LEU H 3.000 . 3.400 2.990 2.794 3.181 . 0 0 "[ . 1 .]" 2
128 2 14 ALA HA 2 15 LEU H 3.000 . 5.000 3.579 3.563 3.594 . 0 0 "[ . 1 .]" 2
129 2 14 ALA H 2 15 LEU H 3.000 . 3.400 2.414 2.351 2.499 . 0 0 "[ . 1 .]" 2
130 2 15 LEU H 2 16 TYR HB3 3.000 . 6.000 5.896 5.739 6.022 0.022 14 0 "[ . 1 .]" 2
131 2 15 LEU H 2 16 TYR HB2 3.000 . 6.000 4.628 4.514 4.754 . 0 0 "[ . 1 .]" 2
132 2 12 VAL MG1 2 16 TYR QD 3.000 . 8.000 4.397 4.100 5.053 . 0 0 "[ . 1 .]" 2
133 2 12 VAL MG2 2 16 TYR QD 3.000 . 6.400 2.576 2.169 3.385 . 0 0 "[ . 1 .]" 2
134 2 13 GLU HA 2 16 TYR QD 3.000 . 5.400 4.164 3.847 5.008 . 0 0 "[ . 1 .]" 2
135 2 12 VAL MG1 2 16 TYR H 3.000 . 6.000 5.081 5.051 5.092 . 0 0 "[ . 1 .]" 2
136 2 12 VAL MG2 2 16 TYR H 3.000 . 6.000 3.989 3.889 4.167 . 0 0 "[ . 1 .]" 2
137 2 14 ALA H 2 16 TYR H 3.000 . 4.000 3.718 3.587 3.937 . 0 0 "[ . 1 .]" 2
138 2 15 LEU HA 2 16 TYR H 3.000 . 5.000 3.558 3.531 3.576 . 0 0 "[ . 1 .]" 2
139 2 15 LEU HB3 2 16 TYR H 3.000 . 4.400 3.514 3.213 3.717 . 0 0 "[ . 1 .]" 2
140 2 15 LEU HB2 2 16 TYR H 3.000 . 4.400 2.556 2.438 2.737 . 0 0 "[ . 1 .]" 2
141 2 15 LEU QD 2 16 TYR H 3.000 . 6.000 4.038 3.946 4.097 . 0 0 "[ . 1 .]" 2
142 2 16 TYR H 2 16 TYR QD 3.000 . 5.400 3.583 3.351 3.951 . 0 0 "[ . 1 .]" 2
143 2 16 TYR H 2 17 LEU H 3.000 . 3.400 2.665 2.564 2.830 . 0 0 "[ . 1 .]" 2
144 2 16 TYR H 2 16 TYR HB3 2.700 . 3.700 3.322 3.202 3.397 . 0 0 "[ . 1 .]" 2
145 2 16 TYR H 2 16 TYR HB2 2.700 . 3.700 2.098 2.074 2.124 . 0 0 "[ . 1 .]" 2
146 2 17 LEU HA 2 17 LEU MD1 2.700 . 4.400 2.097 1.783 3.509 . 0 0 "[ . 1 .]" 2
147 2 17 LEU HA 2 17 LEU MD2 2.700 . 6.000 3.290 2.092 3.878 . 0 0 "[ . 1 .]" 2
148 2 17 LEU HA 2 17 LEU HG 2.700 . 6.000 3.422 3.246 3.957 . 0 0 "[ . 1 .]" 2
149 2 17 LEU QB 2 17 LEU MD1 2.700 . 5.400 2.364 2.110 2.530 . 0 0 "[ . 1 .]" 2
150 2 17 LEU QB 2 17 LEU MD2 2.700 . 5.400 2.137 1.999 2.457 . 0 0 "[ . 1 .]" 2
151 2 17 LEU H 2 17 LEU QB 2.700 . 4.400 2.219 2.091 2.357 . 0 0 "[ . 1 .]" 2
152 2 17 LEU H 2 17 LEU MD1 2.700 . 6.000 3.967 3.124 4.160 . 0 0 "[ . 1 .]" 2
153 2 17 LEU H 2 17 LEU MD2 2.700 . 6.000 4.139 3.373 4.387 . 0 0 "[ . 1 .]" 2
154 2 17 LEU H 2 17 LEU HG 2.700 . 6.000 4.455 4.253 4.725 . 0 0 "[ . 1 .]" 2
155 2 16 TYR HA 2 17 LEU H 3.000 . 5.000 3.551 3.510 3.583 . 0 0 "[ . 1 .]" 2
156 2 16 TYR HB3 2 17 LEU H 3.000 . 4.400 2.958 2.496 3.243 . 0 0 "[ . 1 .]" 2
157 2 16 TYR HB2 2 17 LEU H 3.000 . 4.400 3.118 2.901 3.402 . 0 0 "[ . 1 .]" 2
158 2 15 LEU QD 2 18 VAL HB 3.000 . 6.000 4.439 4.087 4.727 . 0 0 "[ . 1 .]" 2
159 2 15 LEU HA 2 18 VAL H 3.000 . 5.000 3.529 3.130 3.864 . 0 0 "[ . 1 .]" 2
160 2 17 LEU HA 2 18 VAL H 3.000 . 3.400 3.522 3.452 3.559 0.159 14 0 "[ . 1 .]" 2
161 2 17 LEU QB 2 18 VAL H 3.000 . 4.400 2.677 2.365 3.079 . 0 0 "[ . 1 .]" 2
162 2 17 LEU H 2 18 VAL H 3.000 . 5.000 2.554 2.329 2.728 . 0 0 "[ . 1 .]" 2
163 2 18 VAL HA 2 18 VAL MG1 2.700 . 4.400 2.469 2.355 2.547 . 0 0 "[ . 1 .]" 2
164 2 18 VAL HA 2 18 VAL MG2 2.700 . 3.700 3.186 3.176 3.199 . 0 0 "[ . 1 .]" 2
165 2 18 VAL H 2 18 VAL HB 2.700 . 3.700 3.651 3.593 3.724 0.024 2 0 "[ . 1 .]" 2
166 2 18 VAL H 2 18 VAL MG1 2.700 . 4.400 1.995 1.809 2.470 . 0 0 "[ . 1 .]" 2
167 2 18 VAL H 2 18 VAL MG2 2.700 . 3.700 2.300 1.951 2.504 . 0 0 "[ . 1 .]" 2
168 2 19 CYS H 2 19 CYS HB3 2.700 . 3.700 3.732 3.612 3.791 0.091 15 0 "[ . 1 .]" 2
169 2 19 CYS H 2 19 CYS HB2 2.700 . 3.400 2.614 2.509 2.768 . 0 0 "[ . 1 .]" 2
170 2 18 VAL MG1 2 19 CYS HA 3.000 . 6.400 5.460 5.395 5.508 . 0 0 "[ . 1 .]" 2
171 2 15 LEU HA 2 19 CYS H 3.000 . 5.000 3.810 3.264 4.255 . 0 0 "[ . 1 .]" 2
172 2 18 VAL HA 2 19 CYS H 3.000 . 5.000 3.506 3.444 3.565 . 0 0 "[ . 1 .]" 2
173 2 18 VAL HB 2 19 CYS H 3.000 . 4.400 3.959 3.662 4.181 . 0 0 "[ . 1 .]" 2
174 2 18 VAL MG1 2 19 CYS H 3.000 . 4.400 3.678 3.605 3.729 . 0 0 "[ . 1 .]" 2
175 2 18 VAL MG2 2 19 CYS H 3.000 . 4.400 2.033 1.776 2.404 . 0 0 "[ . 1 .]" 2
176 2 18 VAL H 2 19 CYS H 2.700 . 2.700 2.546 2.121 2.752 0.052 14 0 "[ . 1 .]" 2
177 2 19 CYS H 2 20 GLY H 2.700 . 2.700 2.533 2.047 2.731 0.031 3 0 "[ . 1 .]" 2
178 2 16 TYR HA 2 20 GLY H 3.000 . 5.000 2.834 2.342 4.044 . 0 0 "[ . 1 .]" 2
179 2 19 CYS HA 2 20 GLY H 3.000 . 5.000 3.485 2.843 3.589 . 0 0 "[ . 1 .]" 2
180 2 20 GLY H 2 20 GLY QA 2.700 . 2.700 2.303 2.230 2.397 . 0 0 "[ . 1 .]" 2
181 2 21 GLU H 2 21 GLU HB3 2.700 . 3.400 3.029 2.205 3.429 0.029 1 0 "[ . 1 .]" 2
182 2 21 GLU H 2 21 GLU HB2 2.700 . 3.400 2.286 2.077 3.514 0.114 7 0 "[ . 1 .]" 2
183 2 21 GLU H 2 21 GLU QG 2.700 . 6.000 3.618 2.687 4.002 . 0 0 "[ . 1 .]" 2
184 2 20 GLY QA 2 21 GLU H 2.700 . 3.700 2.204 2.151 2.368 . 0 0 "[ . 1 .]" 2
185 2 20 GLY H 2 21 GLU H 3.000 . 5.000 4.200 3.335 4.515 . 0 0 "[ . 1 .]" 2
186 2 21 GLU H 2 22 ARG H 3.000 . 3.400 2.648 2.485 2.867 . 0 0 "[ . 1 .]" 2
187 2 20 GLY QA 2 22 ARG H 3.000 . 6.000 3.551 3.306 3.983 . 0 0 "[ . 1 .]" 2
188 2 21 GLU HB3 2 22 ARG H 3.000 . 6.000 3.429 2.965 4.053 . 0 0 "[ . 1 .]" 2
189 2 21 GLU HB2 2 22 ARG H 3.000 . 6.000 3.817 3.054 4.399 . 0 0 "[ . 1 .]" 2
190 2 21 GLU QG 2 22 ARG H 3.000 . 6.000 4.368 2.689 4.751 . 0 0 "[ . 1 .]" 2
191 2 22 ARG HA 2 22 ARG QG 2.700 . 4.400 2.411 1.891 3.156 . 0 0 "[ . 1 .]" 2
192 2 22 ARG HB3 2 22 ARG QD 2.700 . 5.400 2.566 2.031 3.326 . 0 0 "[ . 1 .]" 2
193 2 22 ARG HB2 2 22 ARG QD 2.700 . 5.400 3.076 2.265 3.539 . 0 0 "[ . 1 .]" 2
194 2 22 ARG H 2 22 ARG HB3 2.700 . 3.400 3.287 2.760 3.580 0.180 1 0 "[ . 1 .]" 2
195 2 22 ARG H 2 22 ARG HB2 2.700 . 3.400 2.206 2.095 2.677 . 0 0 "[ . 1 .]" 2
196 2 22 ARG H 2 22 ARG QG 2.700 . 4.400 3.347 1.907 4.061 . 0 0 "[ . 1 .]" 2
197 1 2 ILE MD 2 15 LEU QD 3.000 . 6.400 2.424 1.926 3.024 . 0 0 "[ . 1 .]" 2
198 1 2 ILE MD 2 16 TYR HA 3.000 . 7.000 9.063 8.449 9.768 2.768 2 15 [*+************-] 2
199 1 2 ILE MD 1 4 GLU QB 3.000 . 7.000 6.962 5.569 8.268 1.268 9 1 "[ . +1 .]" 2
200 1 1 GLY QA 1 2 ILE H 2.700 . 3.700 2.392 2.112 2.852 . 0 0 "[ . 1 .]" 2
201 1 4 GLU QB 2 11 LEU QD 3.000 . 6.400 6.068 5.731 6.545 0.145 9 0 "[ . 1 .]" 2
202 1 4 GLU QB 2 15 LEU QD 3.000 . 6.500 8.550 7.936 9.491 2.991 9 15 [****-***+******] 2
203 1 3 ABA HA 1 4 GLU H 3.000 . 3.400 3.532 3.471 3.565 0.165 12 0 "[ . 1 .]" 2
204 1 4 GLU H 1 4 GLU QB 2.700 . 3.400 2.119 2.031 2.471 . 0 0 "[ . 1 .]" 2
205 1 5 GLN HA 1 5 GLN QG 2.700 . 4.400 2.148 1.975 2.505 . 0 0 "[ . 1 .]" 2
206 1 5 GLN H 1 5 GLN QG 2.700 . 4.400 4.025 3.874 4.148 . 0 0 "[ . 1 .]" 2
207 1 4 GLU HA 1 5 GLN H 2.700 . 3.400 3.529 3.477 3.585 0.185 15 0 "[ . 1 .]" 2
208 1 4 GLU QB 1 5 GLN H 3.000 . 6.000 2.834 2.161 3.271 . 0 0 "[ . 1 .]" 2
209 1 5 GLN H 1 6 CYS HA 3.000 . 5.000 5.044 4.804 5.485 0.485 13 0 "[ . 1 .]" 2
210 1 5 GLN HA 1 6 CYS H 3.000 . 3.400 3.519 3.452 3.577 0.177 3 0 "[ . 1 .]" 2
211 1 5 GLN QG 1 6 CYS H 3.000 . 6.000 4.219 3.875 4.550 . 0 0 "[ . 1 .]" 2
212 1 5 GLN H 1 6 CYS H 3.000 . 5.000 2.307 2.006 2.853 . 0 0 "[ . 1 .]" 2
213 1 6 CYS H 1 6 CYS QB 2.700 . 3.400 2.236 2.127 2.303 . 0 0 "[ . 1 .]" 2
214 1 6 CYS QB 1 7 CYS HB2 3.000 . 5.000 4.188 4.033 4.502 . 0 0 "[ . 1 .]" 2
215 1 6 CYS QB 1 7 CYS HB3 3.000 . 5.000 5.017 4.714 5.393 0.393 10 0 "[ . 1 .]" 2
216 1 6 CYS HA 1 8 THR H 3.000 . 7.000 4.386 4.070 4.638 . 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 25
_Distance_constraint_stats_list.Viol_count 254
_Distance_constraint_stats_list.Viol_total 4690.628
_Distance_constraint_stats_list.Viol_max 18.350
_Distance_constraint_stats_list.Viol_rms 3.2194
_Distance_constraint_stats_list.Viol_average_all_restraints 0.8339
_Distance_constraint_stats_list.Viol_average_violations_only 1.2311
_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 GLY 247.428 18.350 10 15 [*********+****-]
2 7 CYS 0.812 0.082 12 0 "[ . 1 .]"
2 8 GLY 4.017 0.429 4 0 "[ . 1 .]"
2 9 SER 15.357 0.848 10 15 [*****-***+*****]
2 10 ASP 1.688 0.093 1 0 "[ . 1 .]"
2 11 LEU 10.167 0.712 14 7 "[ - ** * *+*]"
2 12 VAL 16.890 0.861 10 15 [*******-*+*****]
2 13 GLU 15.246 0.848 10 15 [*****-***+*****]
2 14 ALA 13.121 0.862 12 11 "[ *-*****1*+ **]"
2 15 LEU 13.008 0.819 13 10 "[*- *** ** +**]"
2 16 TYR 18.721 0.861 10 15 [*******-*+*****]
2 17 LEU 0.245 0.042 4 0 "[ . 1 .]"
2 18 VAL 12.245 0.862 12 11 "[ *-*****1*+ **]"
2 19 CYS 6.149 0.819 13 6 "[-* *. ** + .]"
2 20 GLY 250.324 18.350 10 15 [*********+****-]
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 2 7 CYS O 2 10 ASP H . 2.300 2.600 2.629 2.571 2.682 0.082 12 0 "[ . 1 .]" 3
2 2 7 CYS O 2 10 ASP N . 2.700 3.300 3.279 3.126 3.362 0.062 7 0 "[ . 1 .]" 3
3 2 8 GLY O 2 11 LEU H . 2.300 2.600 2.119 1.871 2.542 0.429 4 0 "[ . 1 .]" 3
4 2 8 GLY O 2 11 LEU N . 2.700 3.300 2.850 2.658 3.063 0.042 4 0 "[ . 1 .]" 3
5 2 9 SER O 2 12 VAL H . 2.300 2.600 2.603 2.384 2.652 0.052 10 0 "[ . 1 .]" 3
6 2 9 SER O 2 12 VAL N . 2.700 3.300 3.028 2.944 3.147 . 0 0 "[ . 1 .]" 3
7 2 8 GLY O 2 12 VAL H . 2.300 2.600 2.417 2.341 2.522 . 0 0 "[ . 1 .]" 3
8 2 8 GLY O 2 12 VAL N . 2.700 3.300 3.346 3.282 3.396 0.096 2 0 "[ . 1 .]" 3
9 2 9 SER O 2 13 GLU H . 2.300 2.600 1.527 1.452 1.640 0.848 10 15 [*****-***+*****] 3
10 2 9 SER O 2 13 GLU N . 2.700 3.300 2.473 2.413 2.615 0.287 10 0 "[ . 1 .]" 3
11 2 10 ASP O 2 14 ALA H . 2.300 2.600 2.501 2.215 2.638 0.085 6 0 "[ . 1 .]" 3
12 2 10 ASP O 2 14 ALA N . 2.700 3.300 3.280 2.959 3.393 0.093 1 0 "[ . 1 .]" 3
13 2 11 LEU O 2 15 LEU H . 2.300 2.600 1.868 1.588 2.413 0.712 14 7 "[ - ** * *+*]" 3
14 2 11 LEU O 2 15 LEU N . 2.700 3.300 2.827 2.566 3.281 0.134 14 0 "[ . 1 .]" 3
15 2 12 VAL O 2 16 TYR H . 2.300 2.600 1.490 1.439 1.620 0.861 10 15 [*******-*+*****] 3
16 2 12 VAL O 2 16 TYR N . 2.700 3.300 2.455 2.393 2.588 0.307 10 0 "[ . 1 .]" 3
17 2 13 GLU O 2 17 LEU H . 2.300 2.600 2.479 2.384 2.607 0.007 11 0 "[ . 1 .]" 3
18 2 13 GLU O 2 17 LEU N . 2.700 3.300 3.301 3.201 3.342 0.042 4 0 "[ . 1 .]" 3
19 2 14 ALA O 2 18 VAL H . 2.300 2.600 1.649 1.438 1.999 0.862 12 11 "[ *-*****1*+ **]" 3
20 2 14 ALA O 2 18 VAL N . 2.700 3.300 2.555 2.405 2.830 0.295 8 0 "[ . 1 .]" 3
21 2 15 LEU O 2 19 CYS H . 2.300 2.600 2.031 1.481 2.496 0.819 13 6 "[-* *. ** + .]" 3
22 2 15 LEU O 2 19 CYS N . 2.700 3.300 2.887 2.390 3.362 0.310 10 0 "[ . 1 .]" 3
23 1 1 GLY N 2 20 GLY O . 2.700 3.300 19.795 18.371 21.650 18.350 10 15 [*********+****-] 3
24 2 16 TYR O 2 20 GLY H . 2.300 2.600 2.501 2.017 2.647 0.283 13 0 "[ . 1 .]" 3
25 2 16 TYR O 2 20 GLY N . 2.700 3.300 2.636 2.431 3.043 0.269 10 0 "[ . 1 .]" 3
stop_
save_
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