Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
526857 | 2l8e RC | 17396 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l8e
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 30
_Distance_constraint_stats_list.Viol_count 48
_Distance_constraint_stats_list.Viol_total 85.272
_Distance_constraint_stats_list.Viol_max 0.268
_Distance_constraint_stats_list.Viol_rms 0.0321
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0071
_Distance_constraint_stats_list.Viol_average_violations_only 0.0888
_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 12 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ALA 0.376 0.202 10 0 "[ . 1 . 2]"
1 17 ASN 1.182 0.268 2 0 "[ . 1 . 2]"
1 22 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ALA 0.611 0.204 5 0 "[ . 1 . 2]"
1 29 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 GLN 2.223 0.227 5 0 "[ . 1 . 2]"
1 33 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ARG 0.441 0.055 20 0 "[ . 1 . 2]"
1 39 PHE 0.441 0.055 20 0 "[ . 1 . 2]"
1 40 CYS 0.368 0.144 13 0 "[ . 1 . 2]"
1 41 SER 0.418 0.087 18 0 "[ . 1 . 2]"
1 43 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 CYS 0.418 0.087 18 0 "[ . 1 . 2]"
1 46 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ASN 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 17 ASN QD 1 29 PRO QG . . 6.000 4.731 3.760 5.320 . 0 0 "[ . 1 . 2]" 1
2 1 17 ASN H 1 17 ASN QD . . 6.000 2.552 1.632 4.435 0.268 2 0 "[ . 1 . 2]" 1
3 1 17 ASN QD 1 30 ALA MB . . 6.000 3.088 2.030 5.022 . 0 0 "[ . 1 . 2]" 1
4 1 17 ASN QB 1 17 ASN QD . . 5.200 2.511 2.113 2.780 . 0 0 "[ . 1 . 2]" 1
5 1 15 LYS HA 1 17 ASN QD . . 6.000 4.278 2.365 5.767 . 0 0 "[ . 1 . 2]" 1
6 1 16 ALA H 1 17 ASN QD . . 6.000 3.846 2.322 5.094 . 0 0 "[ . 1 . 2]" 1
7 1 28 ALA MB 1 32 GLN QE . . 4.100 2.057 1.796 2.536 0.204 5 0 "[ . 1 . 2]" 1
8 1 32 GLN QB 1 32 GLN QE . . 5.400 2.477 1.773 3.658 0.227 5 0 "[ . 1 . 2]" 1
9 1 32 GLN QE 1 32 GLN QG . . 5.000 2.374 2.072 2.694 . 0 0 "[ . 1 . 2]" 1
10 1 32 GLN QE 1 40 CYS HB2 . . 6.000 2.597 1.955 3.797 0.045 4 0 "[ . 1 . 2]" 1
11 1 32 GLN QE 1 40 CYS HB3 . . 4.300 2.417 1.856 3.070 0.144 13 0 "[ . 1 . 2]" 1
12 1 32 GLN H 1 32 GLN QE . . 6.000 4.231 3.255 4.854 . 0 0 "[ . 1 . 2]" 1
13 1 30 ALA HA 1 32 GLN QE . . 6.000 5.518 4.430 5.884 . 0 0 "[ . 1 . 2]" 1
14 1 32 GLN QE 1 33 PHE HA . . 6.000 4.201 2.773 5.134 . 0 0 "[ . 1 . 2]" 1
15 1 49 ASN QB 1 49 ASN QD . . 6.000 2.483 2.146 2.727 . 0 0 "[ . 1 . 2]" 1
16 1 48 TYR HA 1 49 ASN QD . . 6.000 4.413 3.272 5.229 . 0 0 "[ . 1 . 2]" 1
17 1 46 LYS HA 1 49 ASN QD . . 6.000 4.003 1.849 5.363 . 0 0 "[ . 1 . 2]" 1
18 1 24 CYS H 1 26 LYS QB . . 6.000 5.292 4.738 5.785 . 0 0 "[ . 1 . 2]" 1
19 1 30 ALA MB 1 31 GLU H . . 3.800 2.819 2.588 2.966 . 0 0 "[ . 1 . 2]" 1
20 1 16 ALA MB 1 17 ASN H . . 4.300 3.200 1.798 3.675 0.202 10 0 "[ . 1 . 2]" 1
21 1 17 ASN H 1 17 ASN QB . . 4.900 2.872 2.509 3.316 . 0 0 "[ . 1 . 2]" 1
22 1 43 THR H 1 44 CYS H . . 4.100 3.046 2.986 3.100 . 0 0 "[ . 1 . 2]" 1
23 1 43 THR HB 1 44 CYS H . . 3.300 2.480 2.305 3.171 . 0 0 "[ . 1 . 2]" 1
24 1 38 ARG H 1 39 PHE H . . 2.800 1.726 1.645 2.162 0.055 20 0 "[ . 1 . 2]" 1
25 1 12 LEU H 1 13 ASP H . . 3.800 2.755 2.297 3.799 . 0 0 "[ . 1 . 2]" 1
26 1 47 ARG H 1 49 ASN H . . 6.000 4.146 3.732 4.652 . 0 0 "[ . 1 . 2]" 1
27 1 22 GLU H 1 23 TYR H . . 3.500 2.983 2.882 3.099 . 0 0 "[ . 1 . 2]" 1
28 1 35 GLY QA 1 36 SER H . . 6.000 2.590 2.393 2.837 . 0 0 "[ . 1 . 2]" 1
29 1 23 TYR QD 1 24 CYS H . . 4.500 3.437 2.205 3.991 . 0 0 "[ . 1 . 2]" 1
30 1 41 SER H 1 44 CYS H . . 5.200 4.845 4.145 5.287 0.087 18 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 126
_Distance_constraint_stats_list.Viol_count 131
_Distance_constraint_stats_list.Viol_total 271.937
_Distance_constraint_stats_list.Viol_max 0.441
_Distance_constraint_stats_list.Viol_rms 0.0319
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0054
_Distance_constraint_stats_list.Viol_average_violations_only 0.1038
_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 5 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 LEU 0.796 0.265 2 0 "[ . 1 . 2]"
1 13 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LYS 0.113 0.113 6 0 "[ . 1 . 2]"
1 15 LYS 0.113 0.113 6 0 "[ . 1 . 2]"
1 16 ALA 0.844 0.246 1 0 "[ . 1 . 2]"
1 17 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 LEU 0.844 0.246 1 0 "[ . 1 . 2]"
1 19 LEU 0.874 0.152 14 0 "[ . 1 . 2]"
1 20 LYS 0.067 0.026 4 0 "[ . 1 . 2]"
1 21 CYS 1.213 0.135 8 0 "[ . 1 . 2]"
1 22 GLU 0.053 0.053 8 0 "[ . 1 . 2]"
1 23 TYR 0.057 0.021 1 0 "[ . 1 . 2]"
1 24 CYS 0.256 0.089 8 0 "[ . 1 . 2]"
1 25 GLY 0.046 0.046 15 0 "[ . 1 . 2]"
1 26 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ALA 1.477 0.230 13 0 "[ . 1 . 2]"
1 29 PRO 0.839 0.230 13 0 "[ . 1 . 2]"
1 30 ALA 0.693 0.152 14 0 "[ . 1 . 2]"
1 32 GLN 0.070 0.070 17 0 "[ . 1 . 2]"
1 33 PHE 5.092 0.441 11 0 "[ . 1 . 2]"
1 34 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 LYS 5.092 0.441 11 0 "[ . 1 . 2]"
1 38 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 CYS 3.242 0.193 7 0 "[ . 1 . 2]"
1 42 MET 1.373 0.170 7 0 "[ . 1 . 2]"
1 43 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ALA 0.431 0.170 7 0 "[ . 1 . 2]"
1 46 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 TYR 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 18 LEU H 1 18 LEU QB . . 3.100 2.569 2.486 2.704 . 0 0 "[ . 1 . 2]" 2
2 1 18 LEU HA 1 18 LEU QB . . 3.400 2.284 2.245 2.311 . 0 0 "[ . 1 . 2]" 2
3 1 18 LEU QB 1 19 LEU H . . 3.600 2.764 2.631 2.931 . 0 0 "[ . 1 . 2]" 2
4 1 19 LEU HA 1 19 LEU QB . . 3.500 2.174 2.165 2.183 . 0 0 "[ . 1 . 2]" 2
5 1 19 LEU QB 1 20 LYS H . . 3.900 2.512 2.275 2.853 . 0 0 "[ . 1 . 2]" 2
6 1 39 PHE QB 1 40 CYS H . . 4.600 2.734 2.369 3.507 . 0 0 "[ . 1 . 2]" 2
7 1 39 PHE HA 1 39 PHE QB . . 3.300 2.339 2.277 2.374 . 0 0 "[ . 1 . 2]" 2
8 1 39 PHE H 1 39 PHE QB . . 4.500 2.685 2.619 2.771 . 0 0 "[ . 1 . 2]" 2
9 1 12 LEU H 1 12 LEU QB . . 3.800 2.482 2.205 2.857 . 0 0 "[ . 1 . 2]" 2
10 1 12 LEU HA 1 12 LEU QB . . 4.400 2.335 2.156 2.427 . 0 0 "[ . 1 . 2]" 2
11 1 20 LYS QE 1 25 GLY QA . . 5.200 3.559 2.158 4.585 . 0 0 "[ . 1 . 2]" 2
12 1 13 ASP H 1 13 ASP QB . . 3.600 2.610 2.221 3.035 . 0 0 "[ . 1 . 2]" 2
13 1 13 ASP HA 1 13 ASP QB . . 3.800 2.346 2.177 2.452 . 0 0 "[ . 1 . 2]" 2
14 1 23 TYR H 1 23 TYR QB . . 3.800 2.452 2.391 2.488 . 0 0 "[ . 1 . 2]" 2
15 1 23 TYR QB 1 48 TYR QD . . 6.000 3.990 2.920 5.268 . 0 0 "[ . 1 . 2]" 2
16 1 23 TYR HA 1 23 TYR QB . . 3.100 2.414 2.338 2.451 . 0 0 "[ . 1 . 2]" 2
17 1 23 TYR QB 1 24 CYS H . . 3.300 2.389 1.679 2.617 0.021 1 0 "[ . 1 . 2]" 2
18 1 27 TYR H 1 27 TYR QB . . 2.800 2.379 2.247 2.489 . 0 0 "[ . 1 . 2]" 2
19 1 27 TYR HA 1 27 TYR QB . . 3.100 2.400 2.335 2.481 . 0 0 "[ . 1 . 2]" 2
20 1 48 TYR HA 1 48 TYR QB . . 3.400 2.347 2.206 2.429 . 0 0 "[ . 1 . 2]" 2
21 1 33 PHE HA 1 33 PHE QB . . 3.500 2.416 2.360 2.485 . 0 0 "[ . 1 . 2]" 2
22 1 33 PHE QB 1 37 LYS HA . . 3.100 1.747 1.559 2.029 0.441 11 0 "[ . 1 . 2]" 2
23 1 33 PHE H 1 33 PHE QB . . 3.000 2.331 2.230 2.422 . 0 0 "[ . 1 . 2]" 2
24 1 17 ASN HA 1 17 ASN QB . . 3.400 2.180 2.164 2.202 . 0 0 "[ . 1 . 2]" 2
25 1 22 GLU H 1 22 GLU QG . . 4.900 2.760 1.947 3.987 0.053 8 0 "[ . 1 . 2]" 2
26 1 22 GLU HA 1 22 GLU QG . . 4.100 2.605 2.298 3.344 . 0 0 "[ . 1 . 2]" 2
27 1 32 GLN HA 1 32 GLN QG . . 4.400 2.735 2.400 3.422 . 0 0 "[ . 1 . 2]" 2
28 1 20 LYS H 1 20 LYS QB . . 3.800 3.003 2.753 3.194 . 0 0 "[ . 1 . 2]" 2
29 1 20 LYS HA 1 20 LYS QB . . 3.500 2.189 2.161 2.212 . 0 0 "[ . 1 . 2]" 2
30 1 26 LYS QB 1 27 TYR H . . 3.600 3.145 2.921 3.528 . 0 0 "[ . 1 . 2]" 2
31 1 26 LYS H 1 26 LYS QB . . 2.800 2.369 2.157 2.506 . 0 0 "[ . 1 . 2]" 2
32 1 26 LYS HA 1 26 LYS QB . . 3.300 2.372 2.206 2.502 . 0 0 "[ . 1 . 2]" 2
33 1 29 PRO QB 1 29 PRO QD . . 4.300 2.764 2.687 2.888 . 0 0 "[ . 1 . 2]" 2
34 1 14 LYS H 1 14 LYS QB . . 3.800 2.683 2.142 3.407 . 0 0 "[ . 1 . 2]" 2
35 1 14 LYS QB 1 15 LYS H . . 3.100 2.627 1.993 3.213 0.113 6 0 "[ . 1 . 2]" 2
36 1 38 ARG H 1 38 ARG QB . . 3.900 2.645 2.279 2.771 . 0 0 "[ . 1 . 2]" 2
37 1 38 ARG HA 1 38 ARG QB . . 3.100 2.393 2.314 2.509 . 0 0 "[ . 1 . 2]" 2
38 1 24 CYS H 1 24 CYS HB2 . . 4.600 3.672 3.554 3.719 . 0 0 "[ . 1 . 2]" 2
39 1 23 TYR QD 1 24 CYS HB2 . . 5.600 4.637 4.061 5.222 . 0 0 "[ . 1 . 2]" 2
40 1 24 CYS HA 1 24 CYS HB2 . . 3.000 2.541 2.501 2.572 . 0 0 "[ . 1 . 2]" 2
41 1 24 CYS H 1 24 CYS HB3 . . 3.600 3.085 2.625 3.204 . 0 0 "[ . 1 . 2]" 2
42 1 23 TYR QD 1 24 CYS HB3 . . 3.600 2.960 2.384 3.572 . 0 0 "[ . 1 . 2]" 2
43 1 24 CYS HA 1 24 CYS HB3 . . 2.800 2.386 2.340 2.434 . 0 0 "[ . 1 . 2]" 2
44 1 21 CYS H 1 21 CYS HB3 . . 2.800 2.415 2.185 2.731 . 0 0 "[ . 1 . 2]" 2
45 1 21 CYS HB3 1 26 LYS H . . 3.600 2.339 2.147 2.542 . 0 0 "[ . 1 . 2]" 2
46 1 21 CYS HB3 1 25 GLY H . . 3.400 2.406 1.754 3.025 0.046 15 0 "[ . 1 . 2]" 2
47 1 40 CYS H 1 40 CYS HB3 . . 3.900 3.022 2.614 3.543 . 0 0 "[ . 1 . 2]" 2
48 1 40 CYS H 1 40 CYS HB2 . . 3.400 3.461 2.991 3.534 0.134 18 0 "[ . 1 . 2]" 2
49 1 21 CYS HB3 1 40 CYS H . . 5.800 3.727 3.495 4.115 . 0 0 "[ . 1 . 2]" 2
50 1 34 ARG HA 1 34 ARG QB . . 3.600 2.347 2.197 2.402 . 0 0 "[ . 1 . 2]" 2
51 1 37 LYS HA 1 37 LYS QB . . 3.300 2.402 2.309 2.519 . 0 0 "[ . 1 . 2]" 2
52 1 34 ARG H 1 34 ARG QB . . 4.300 2.424 2.313 2.631 . 0 0 "[ . 1 . 2]" 2
53 1 40 CYS H 1 44 CYS HB3 . . 4.000 3.246 2.792 3.972 . 0 0 "[ . 1 . 2]" 2
54 1 44 CYS HB3 1 45 ALA H . . 6.000 3.459 2.577 3.725 . 0 0 "[ . 1 . 2]" 2
55 1 22 GLU H 1 22 GLU QB . . 3.400 2.333 2.158 2.584 . 0 0 "[ . 1 . 2]" 2
56 1 22 GLU HA 1 22 GLU QB . . 3.300 2.375 2.168 2.465 . 0 0 "[ . 1 . 2]" 2
57 1 11 GLU QB 1 12 LEU HA . . 4.300 3.885 3.516 4.046 . 0 0 "[ . 1 . 2]" 2
58 1 47 ARG H 1 47 ARG QB . . 3.400 2.218 2.140 2.269 . 0 0 "[ . 1 . 2]" 2
59 1 47 ARG HA 1 47 ARG QB . . 3.300 2.376 2.328 2.429 . 0 0 "[ . 1 . 2]" 2
60 1 32 GLN H 1 32 GLN QB . . 3.300 2.313 2.162 2.753 . 0 0 "[ . 1 . 2]" 2
61 1 32 GLN HA 1 32 GLN QB . . 2.700 2.287 2.131 2.402 . 0 0 "[ . 1 . 2]" 2
62 1 29 PRO QD 1 29 PRO QG . . 3.000 1.969 1.948 1.989 . 0 0 "[ . 1 . 2]" 2
63 1 47 ARG H 1 47 ARG QG . . 5.400 4.005 3.911 4.066 . 0 0 "[ . 1 . 2]" 2
64 1 47 ARG HA 1 47 ARG QG . . 3.800 2.709 2.327 3.072 . 0 0 "[ . 1 . 2]" 2
65 1 12 LEU H 1 12 LEU HG . . 4.100 2.948 1.901 4.365 0.265 2 0 "[ . 1 . 2]" 2
66 1 18 LEU H 1 18 LEU HG . . 3.100 2.306 2.014 2.525 . 0 0 "[ . 1 . 2]" 2
67 1 38 ARG H 1 38 ARG QG . . 4.100 3.235 2.398 3.860 . 0 0 "[ . 1 . 2]" 2
68 1 38 ARG HA 1 38 ARG QG . . 3.800 2.477 2.162 2.939 . 0 0 "[ . 1 . 2]" 2
69 1 19 LEU HG 1 30 ALA HA . . 4.500 4.164 3.012 4.526 0.026 15 0 "[ . 1 . 2]" 2
70 1 19 LEU QD 1 30 ALA HA . . 3.300 2.110 1.848 2.557 0.152 14 0 "[ . 1 . 2]" 2
71 1 20 LYS HA 1 20 LYS QG . . 4.500 3.417 3.310 3.522 . 0 0 "[ . 1 . 2]" 2
72 1 12 LEU HA 1 12 LEU MD2 . . 4.000 2.861 1.953 4.092 0.092 14 0 "[ . 1 . 2]" 2
73 1 19 LEU QD 1 20 LYS H . . 4.300 2.547 1.874 3.339 0.026 4 0 "[ . 1 . 2]" 2
74 1 19 LEU HA 1 19 LEU QD . . 3.300 3.200 3.097 3.333 0.033 11 0 "[ . 1 . 2]" 2
75 1 18 LEU MD2 1 19 LEU H . . 4.900 3.814 3.562 4.025 . 0 0 "[ . 1 . 2]" 2
76 1 18 LEU MD2 1 28 ALA HA . . 3.600 2.649 2.282 2.944 . 0 0 "[ . 1 . 2]" 2
77 1 18 LEU HA 1 18 LEU MD2 . . 3.000 2.239 2.073 2.329 . 0 0 "[ . 1 . 2]" 2
78 1 18 LEU MD2 1 29 PRO HA . . 2.800 2.121 1.868 2.252 . 0 0 "[ . 1 . 2]" 2
79 1 43 THR MG 1 44 CYS H . . 5.000 3.549 3.205 4.174 . 0 0 "[ . 1 . 2]" 2
80 1 43 THR HA 1 43 THR MG . . 3.400 2.291 2.158 2.444 . 0 0 "[ . 1 . 2]" 2
81 1 28 ALA H 1 28 ALA MB . . 3.400 2.714 2.646 2.764 . 0 0 "[ . 1 . 2]" 2
82 1 28 ALA HA 1 28 ALA MB . . 2.500 2.135 2.130 2.140 . 0 0 "[ . 1 . 2]" 2
83 1 28 ALA MB 1 29 PRO QD . . 2.500 2.016 1.670 2.264 0.230 13 0 "[ . 1 . 2]" 2
84 1 16 ALA H 1 16 ALA MB . . 3.300 2.744 2.215 3.019 . 0 0 "[ . 1 . 2]" 2
85 1 16 ALA HA 1 16 ALA MB . . 2.600 2.126 2.110 2.142 . 0 0 "[ . 1 . 2]" 2
86 1 45 ALA MB 1 46 LYS H . . 3.300 2.472 2.378 2.576 . 0 0 "[ . 1 . 2]" 2
87 1 42 MET HA 1 45 ALA MB . . 3.100 2.955 1.953 3.270 0.170 7 0 "[ . 1 . 2]" 2
88 1 30 ALA H 1 30 ALA MB . . 2.800 2.215 2.195 2.228 . 0 0 "[ . 1 . 2]" 2
89 1 17 ASN HA 1 30 ALA MB . . 6.000 5.234 4.351 5.668 . 0 0 "[ . 1 . 2]" 2
90 1 29 PRO HA 1 30 ALA MB . . 6.000 3.958 3.932 3.989 . 0 0 "[ . 1 . 2]" 2
91 1 42 MET HA 1 42 MET ME . . 4.300 2.274 1.768 4.282 0.132 16 0 "[ . 1 . 2]" 2
92 1 18 LEU QB 1 27 TYR QB . . 3.400 2.467 2.099 2.758 . 0 0 "[ . 1 . 2]" 2
93 1 18 LEU MD1 1 27 TYR QB . . 3.600 2.626 2.127 3.066 . 0 0 "[ . 1 . 2]" 2
94 1 19 LEU QD 1 33 PHE QB . . 4.300 3.009 2.694 3.304 . 0 0 "[ . 1 . 2]" 2
95 1 28 ALA MB 1 40 CYS HB3 . . 3.400 3.194 2.478 3.593 0.193 7 0 "[ . 1 . 2]" 2
96 1 39 PHE QB 1 45 ALA MB . . 3.400 2.503 2.231 3.060 . 0 0 "[ . 1 . 2]" 2
97 1 38 ARG QB 1 38 ARG QG . . 3.400 2.073 1.995 2.088 . 0 0 "[ . 1 . 2]" 2
98 1 18 LEU QB 1 18 LEU MD1 . . 3.100 2.092 2.081 2.102 . 0 0 "[ . 1 . 2]" 2
99 1 19 LEU QD 1 20 LYS QB . . 6.000 4.125 3.891 4.435 . 0 0 "[ . 1 . 2]" 2
100 1 18 LEU QB 1 18 LEU MD2 . . 3.100 2.325 2.245 2.436 . 0 0 "[ . 1 . 2]" 2
101 1 5 VAL HB 1 5 VAL MG1 . . 3.900 2.127 2.123 2.131 . 0 0 "[ . 1 . 2]" 2
102 1 18 LEU MD1 1 18 LEU HG . . 4.100 2.126 2.122 2.130 . 0 0 "[ . 1 . 2]" 2
103 1 19 LEU QD 1 28 ALA MB . . 5.200 4.027 3.641 4.730 . 0 0 "[ . 1 . 2]" 2
104 1 16 ALA MB 1 18 LEU MD2 . . 4.100 3.806 2.938 4.346 0.246 1 0 "[ . 1 . 2]" 2
105 1 19 LEU QD 1 30 ALA MB . . 3.400 2.222 1.994 2.399 . 0 0 "[ . 1 . 2]" 2
106 1 22 GLU QB 1 22 GLU QG . . 3.800 2.053 1.979 2.088 . 0 0 "[ . 1 . 2]" 2
107 1 26 LYS QB 1 26 LYS QG . . 3.700 2.043 1.989 2.087 . 0 0 "[ . 1 . 2]" 2
108 1 28 ALA MB 1 32 GLN QG . . 4.800 3.617 2.552 4.160 . 0 0 "[ . 1 . 2]" 2
109 1 25 GLY H 1 25 GLY QA . . 2.800 2.264 2.249 2.278 . 0 0 "[ . 1 . 2]" 2
110 1 21 CYS HB2 1 40 CYS H . . 3.100 2.239 1.899 2.814 . 0 0 "[ . 1 . 2]" 2
111 1 21 CYS H 1 21 CYS HB2 . . 2.800 2.220 1.951 2.560 . 0 0 "[ . 1 . 2]" 2
112 1 21 CYS HB2 1 24 CYS H . . 4.900 4.449 4.000 4.989 0.089 8 0 "[ . 1 . 2]" 2
113 1 21 CYS HB2 1 26 LYS H . . 4.700 3.755 3.004 4.272 . 0 0 "[ . 1 . 2]" 2
114 1 21 CYS HB2 1 25 GLY H . . 5.200 4.105 3.483 4.603 . 0 0 "[ . 1 . 2]" 2
115 1 23 TYR QB 1 48 TYR QB . . 4.000 3.600 3.145 3.890 . 0 0 "[ . 1 . 2]" 2
116 1 21 CYS HB2 1 40 CYS HB2 . . 4.100 4.122 3.902 4.235 0.135 8 0 "[ . 1 . 2]" 2
117 1 20 LYS QG 1 25 GLY QA . . 5.600 2.435 2.020 3.366 . 0 0 "[ . 1 . 2]" 2
118 1 20 LYS QB 1 27 TYR QE . . 4.900 3.407 3.100 3.641 . 0 0 "[ . 1 . 2]" 2
119 1 19 LEU QD 1 33 PHE QD . . 4.500 2.691 2.532 2.982 . 0 0 "[ . 1 . 2]" 2
120 1 20 LYS QG 1 21 CYS H . . 5.000 3.806 3.507 4.406 . 0 0 "[ . 1 . 2]" 2
121 1 18 LEU MD2 1 28 ALA H . . 5.400 3.623 3.265 4.025 . 0 0 "[ . 1 . 2]" 2
122 1 27 TYR HA 1 28 ALA MB . . 5.400 3.809 3.761 3.860 . 0 0 "[ . 1 . 2]" 2
123 1 18 LEU MD2 1 29 PRO QD . . 4.000 2.585 2.366 2.960 . 0 0 "[ . 1 . 2]" 2
124 1 28 ALA MB 1 40 CYS HB2 . . 6.000 3.993 2.920 4.824 . 0 0 "[ . 1 . 2]" 2
125 1 28 ALA MB 1 29 PRO QG . . 6.000 3.741 3.251 4.042 . 0 0 "[ . 1 . 2]" 2
126 1 32 GLN H 1 32 GLN QG . . 5.800 3.606 1.930 4.053 0.070 17 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 93
_Distance_constraint_stats_list.Viol_count 84
_Distance_constraint_stats_list.Viol_total 90.693
_Distance_constraint_stats_list.Viol_max 0.314
_Distance_constraint_stats_list.Viol_rms 0.0156
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0024
_Distance_constraint_stats_list.Viol_average_violations_only 0.0540
_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 5 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 SER 0.337 0.125 17 0 "[ . 1 . 2]"
1 8 PRO 0.337 0.125 17 0 "[ . 1 . 2]"
1 9 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 LEU 0.016 0.007 16 0 "[ . 1 . 2]"
1 13 ASP 0.902 0.314 2 0 "[ . 1 . 2]"
1 14 LYS 1.487 0.314 2 0 "[ . 1 . 2]"
1 15 LYS 0.789 0.111 7 0 "[ . 1 . 2]"
1 16 ALA 0.799 0.192 1 0 "[ . 1 . 2]"
1 17 ASN 0.799 0.192 1 0 "[ . 1 . 2]"
1 18 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LYS 0.234 0.068 11 0 "[ . 1 . 2]"
1 21 CYS 0.129 0.046 3 0 "[ . 1 . 2]"
1 22 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 TYR 0.009 0.009 8 0 "[ . 1 . 2]"
1 26 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 TYR 0.234 0.068 11 0 "[ . 1 . 2]"
1 28 ALA 0.006 0.006 9 0 "[ . 1 . 2]"
1 29 PRO 0.045 0.040 15 0 "[ . 1 . 2]"
1 30 ALA 0.006 0.006 1 0 "[ . 1 . 2]"
1 31 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 GLN 0.040 0.040 15 0 "[ . 1 . 2]"
1 33 PHE 0.147 0.110 13 0 "[ . 1 . 2]"
1 34 ARG 0.141 0.110 13 0 "[ . 1 . 2]"
1 35 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 PHE 0.590 0.122 3 0 "[ . 1 . 2]"
1 40 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 MET 0.083 0.051 7 0 "[ . 1 . 2]"
1 43 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 CYS 0.009 0.009 8 0 "[ . 1 . 2]"
1 45 ALA 0.543 0.122 3 0 "[ . 1 . 2]"
1 46 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 TYR 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 21 CYS HA 1 22 GLU H . . 2.400 2.216 2.131 2.290 . 0 0 "[ . 1 . 2]" 3
2 1 36 SER HA 1 37 LYS H . . 3.800 2.403 2.136 3.564 . 0 0 "[ . 1 . 2]" 3
3 1 33 PHE HA 1 34 ARG H . . 2.800 2.581 2.357 2.910 0.110 13 0 "[ . 1 . 2]" 3
4 1 46 LYS H 1 46 LYS HA . . 3.100 2.790 2.744 2.843 . 0 0 "[ . 1 . 2]" 3
5 1 37 LYS HA 1 38 ARG H . . 3.600 2.584 2.385 3.087 . 0 0 "[ . 1 . 2]" 3
6 1 15 LYS H 1 15 LYS HA . . 2.800 2.701 2.238 2.911 0.111 7 0 "[ . 1 . 2]" 3
7 1 14 LYS H 1 14 LYS HA . . 2.800 2.670 2.257 2.867 0.067 14 0 "[ . 1 . 2]" 3
8 1 12 LEU HA 1 13 ASP H . . 6.000 3.039 2.391 3.453 . 0 0 "[ . 1 . 2]" 3
9 1 30 ALA HA 1 33 PHE QD . . 3.400 2.452 1.794 3.188 0.006 1 0 "[ . 1 . 2]" 3
10 1 13 ASP HA 1 14 LYS H . . 3.100 2.880 2.173 3.414 0.314 2 0 "[ . 1 . 2]" 3
11 1 20 LYS HA 1 21 CYS H . . 2.500 2.019 1.960 2.103 . 0 0 "[ . 1 . 2]" 3
12 1 20 LYS HA 1 27 TYR HA . . 2.800 2.694 2.270 2.868 0.068 11 0 "[ . 1 . 2]" 3
13 1 16 ALA HA 1 17 ASN H . . 3.300 3.042 2.393 3.492 0.192 1 0 "[ . 1 . 2]" 3
14 1 28 ALA HA 1 29 PRO QD . . 2.600 2.060 1.894 2.316 0.006 9 0 "[ . 1 . 2]" 3
15 1 37 LYS HA 1 38 ARG QG . . 6.000 4.510 4.159 5.039 . 0 0 "[ . 1 . 2]" 3
16 1 5 VAL HA 1 6 ASP H . . 3.800 3.015 2.095 3.566 . 0 0 "[ . 1 . 2]" 3
17 1 6 ASP HA 1 7 SER H . . 3.600 2.659 2.107 3.570 . 0 0 "[ . 1 . 2]" 3
18 1 9 SER HA 1 9 SER QB . . 4.500 2.346 2.187 2.402 . 0 0 "[ . 1 . 2]" 3
19 1 17 ASN HA 1 18 LEU H . . 3.800 2.352 2.123 2.972 . 0 0 "[ . 1 . 2]" 3
20 1 19 LEU HA 1 19 LEU HG . . 6.000 4.008 3.582 4.304 . 0 0 "[ . 1 . 2]" 3
21 1 22 GLU HA 1 23 TYR H . . 4.600 3.189 3.047 3.354 . 0 0 "[ . 1 . 2]" 3
22 1 23 TYR HA 1 23 TYR QE . . 6.000 4.593 4.425 4.752 . 0 0 "[ . 1 . 2]" 3
23 1 23 TYR HA 1 23 TYR QD . . 3.800 2.842 2.407 3.096 . 0 0 "[ . 1 . 2]" 3
24 1 27 TYR HA 1 28 ALA H . . 2.700 2.095 2.057 2.125 . 0 0 "[ . 1 . 2]" 3
25 1 21 CYS H 1 27 TYR HA . . 5.800 4.159 3.690 4.344 . 0 0 "[ . 1 . 2]" 3
26 1 18 LEU QB 1 27 TYR HA . . 6.000 3.665 3.314 3.835 . 0 0 "[ . 1 . 2]" 3
27 1 20 LYS QB 1 27 TYR HA . . 5.400 2.274 1.943 2.533 0.057 13 0 "[ . 1 . 2]" 3
28 1 30 ALA HA 1 31 GLU H . . 4.900 3.470 3.416 3.505 . 0 0 "[ . 1 . 2]" 3
29 1 30 ALA HA 1 32 GLN H . . 5.700 3.960 3.731 4.626 . 0 0 "[ . 1 . 2]" 3
30 1 18 LEU HA 1 30 ALA HA . . 6.000 4.855 4.553 5.047 . 0 0 "[ . 1 . 2]" 3
31 1 30 ALA HA 1 33 PHE QB . . 5.400 2.907 2.612 3.386 . 0 0 "[ . 1 . 2]" 3
32 1 31 GLU HA 1 32 GLN H . . 4.700 3.501 3.452 3.621 . 0 0 "[ . 1 . 2]" 3
33 1 31 GLU HA 1 33 PHE H . . 5.200 4.069 3.490 4.487 . 0 0 "[ . 1 . 2]" 3
34 1 39 PHE HA 1 40 CYS H . . 2.700 2.333 2.164 2.461 . 0 0 "[ . 1 . 2]" 3
35 1 22 GLU H 1 39 PHE HA . . 5.400 3.241 2.876 3.682 . 0 0 "[ . 1 . 2]" 3
36 1 39 PHE HA 1 45 ALA H . . 5.800 5.705 5.379 5.922 0.122 3 0 "[ . 1 . 2]" 3
37 1 21 CYS HA 1 39 PHE HA . . 3.600 2.072 1.754 2.420 0.046 3 0 "[ . 1 . 2]" 3
38 1 21 CYS HB3 1 39 PHE HA . . 6.000 4.222 3.962 4.540 . 0 0 "[ . 1 . 2]" 3
39 1 39 PHE HA 1 40 CYS HB2 . . 6.000 5.694 5.382 5.864 . 0 0 "[ . 1 . 2]" 3
40 1 39 PHE HA 1 39 PHE QD . . 4.300 2.685 2.527 2.859 . 0 0 "[ . 1 . 2]" 3
41 1 41 SER QB 1 43 THR H . . 5.800 4.036 3.416 4.506 . 0 0 "[ . 1 . 2]" 3
42 1 41 SER H 1 41 SER QB . . 5.000 2.883 2.260 3.277 . 0 0 "[ . 1 . 2]" 3
43 1 42 MET HA 1 42 MET QG . . 5.000 2.630 2.286 3.003 . 0 0 "[ . 1 . 2]" 3
44 1 42 MET HA 1 45 ALA H . . 4.700 3.781 2.935 4.014 . 0 0 "[ . 1 . 2]" 3
45 1 42 MET HA 1 46 LYS H . . 5.400 3.767 3.529 3.951 . 0 0 "[ . 1 . 2]" 3
46 1 43 THR HA 1 46 LYS H . . 4.900 4.089 3.677 4.546 . 0 0 "[ . 1 . 2]" 3
47 1 43 THR HA 1 44 CYS H . . 5.800 3.563 3.538 3.596 . 0 0 "[ . 1 . 2]" 3
48 1 43 THR H 1 43 THR HB . . 4.000 2.802 2.544 3.463 . 0 0 "[ . 1 . 2]" 3
49 1 43 THR HB 1 45 ALA H . . 6.000 5.071 4.900 5.439 . 0 0 "[ . 1 . 2]" 3
50 1 44 CYS HA 1 47 ARG QB . . 4.000 2.493 2.086 2.967 . 0 0 "[ . 1 . 2]" 3
51 1 43 THR HB 1 44 CYS HA . . 6.000 4.066 3.880 4.380 . 0 0 "[ . 1 . 2]" 3
52 1 23 TYR QE 1 44 CYS HA . . 6.000 5.363 4.388 6.009 0.009 8 0 "[ . 1 . 2]" 3
53 1 44 CYS HA 1 47 ARG H . . 4.500 3.316 2.883 3.632 . 0 0 "[ . 1 . 2]" 3
54 1 45 ALA HA 1 46 LYS H . . 5.100 3.559 3.527 3.588 . 0 0 "[ . 1 . 2]" 3
55 1 45 ALA HA 1 46 LYS HA . . 6.000 4.778 4.689 4.878 . 0 0 "[ . 1 . 2]" 3
56 1 39 PHE QB 1 45 ALA HA . . 4.500 2.466 2.105 3.003 . 0 0 "[ . 1 . 2]" 3
57 1 45 ALA HA 1 48 TYR QB . . 5.400 3.272 2.822 3.616 . 0 0 "[ . 1 . 2]" 3
58 1 45 ALA MB 1 46 LYS HA . . 6.000 3.831 3.729 3.958 . 0 0 "[ . 1 . 2]" 3
59 1 47 ARG HA 1 48 TYR H . . 4.600 3.462 3.405 3.514 . 0 0 "[ . 1 . 2]" 3
60 1 26 LYS HA 1 26 LYS QG . . 4.500 2.658 2.254 3.039 . 0 0 "[ . 1 . 2]" 3
61 1 26 LYS HA 1 27 TYR HA . . 6.000 4.374 4.322 4.416 . 0 0 "[ . 1 . 2]" 3
62 1 29 PRO HA 1 29 PRO QD . . 6.000 3.411 3.284 3.478 . 0 0 "[ . 1 . 2]" 3
63 1 30 ALA MB 1 31 GLU HA . . 5.800 3.888 3.799 3.948 . 0 0 "[ . 1 . 2]" 3
64 1 33 PHE HA 1 33 PHE QD . . 5.800 3.044 2.941 3.125 . 0 0 "[ . 1 . 2]" 3
65 1 21 CYS HA 1 22 GLU HA . . 6.000 4.491 4.444 4.539 . 0 0 "[ . 1 . 2]" 3
66 1 28 ALA H 1 29 PRO QD . . 6.000 4.326 4.270 4.381 . 0 0 "[ . 1 . 2]" 3
67 1 29 PRO QD 1 32 GLN HA . . 6.000 5.770 5.492 6.040 0.040 15 0 "[ . 1 . 2]" 3
68 1 34 ARG HA 1 35 GLY H . . 5.300 2.798 2.151 3.542 . 0 0 "[ . 1 . 2]" 3
69 1 42 MET HA 1 45 ALA HA . . 6.000 5.768 4.632 6.051 0.051 7 0 "[ . 1 . 2]" 3
70 1 19 LEU HA 1 20 LYS QB . . 6.000 3.853 3.642 4.066 . 0 0 "[ . 1 . 2]" 3
71 1 20 LYS QG 1 27 TYR HA . . 6.000 4.299 3.787 4.525 . 0 0 "[ . 1 . 2]" 3
72 1 29 PRO HA 1 30 ALA HA . . 6.000 4.346 4.313 4.385 . 0 0 "[ . 1 . 2]" 3
73 1 46 LYS HA 1 47 ARG QB . . 6.000 5.162 5.090 5.202 . 0 0 "[ . 1 . 2]" 3
74 1 18 LEU HA 1 18 LEU HG . . 3.800 3.327 3.190 3.440 . 0 0 "[ . 1 . 2]" 3
75 1 41 SER QB 1 42 MET QG . . 6.000 3.936 2.423 5.415 . 0 0 "[ . 1 . 2]" 3
76 1 20 LYS HA 1 28 ALA H . . 5.200 3.385 3.041 3.632 . 0 0 "[ . 1 . 2]" 3
77 1 20 LYS HA 1 21 CYS HB2 . . 6.000 4.151 3.889 4.517 . 0 0 "[ . 1 . 2]" 3
78 1 19 LEU QD 1 37 LYS HA . . 6.000 3.383 2.682 4.167 . 0 0 "[ . 1 . 2]" 3
79 1 33 PHE QD 1 37 LYS HA . . 5.200 2.697 2.104 3.411 . 0 0 "[ . 1 . 2]" 3
80 1 32 GLN HA 1 33 PHE H . . 4.300 3.380 2.924 3.510 . 0 0 "[ . 1 . 2]" 3
81 1 26 LYS HA 1 27 TYR H . . 2.500 2.180 2.129 2.226 . 0 0 "[ . 1 . 2]" 3
82 1 26 LYS HA 1 27 TYR QD . . 6.000 3.676 3.048 4.444 . 0 0 "[ . 1 . 2]" 3
83 1 21 CYS HA 1 40 CYS H . . 6.000 3.190 2.891 3.589 . 0 0 "[ . 1 . 2]" 3
84 1 8 PRO QB 1 8 PRO QD . . 6.000 2.791 2.736 2.921 . 0 0 "[ . 1 . 2]" 3
85 1 8 PRO HA 1 9 SER H . . 3.600 3.338 2.642 3.567 . 0 0 "[ . 1 . 2]" 3
86 1 18 LEU HA 1 29 PRO HA . . 3.700 2.629 2.421 2.924 . 0 0 "[ . 1 . 2]" 3
87 1 29 PRO HA 1 30 ALA H . . 2.400 2.099 2.079 2.122 . 0 0 "[ . 1 . 2]" 3
88 1 7 SER HA 1 8 PRO QD . . 3.600 1.864 1.675 2.026 0.125 17 0 "[ . 1 . 2]" 3
89 1 12 LEU H 1 12 LEU HA . . 2.900 2.848 2.523 2.907 0.007 16 0 "[ . 1 . 2]" 3
90 1 18 LEU H 1 29 PRO HA . . 6.000 4.684 4.479 4.923 . 0 0 "[ . 1 . 2]" 3
91 1 7 SER HA 1 9 SER QB . . 6.000 5.318 4.449 5.825 . 0 0 "[ . 1 . 2]" 3
92 1 46 LYS HA 1 47 ARG H . . 4.000 3.500 3.441 3.569 . 0 0 "[ . 1 . 2]" 3
93 1 39 PHE HA 1 45 ALA MB . . 6.000 5.109 4.902 5.713 . 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 250
_Distance_constraint_stats_list.Viol_count 170
_Distance_constraint_stats_list.Viol_total 329.112
_Distance_constraint_stats_list.Viol_max 0.644
_Distance_constraint_stats_list.Viol_rms 0.0247
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0033
_Distance_constraint_stats_list.Viol_average_violations_only 0.0968
_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 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 VAL 0.936 0.137 3 0 "[ . 1 . 2]"
1 6 ASP 0.333 0.134 2 0 "[ . 1 . 2]"
1 7 SER 0.717 0.137 3 0 "[ . 1 . 2]"
1 8 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 SER 0.277 0.163 17 0 "[ . 1 . 2]"
1 10 ALA 0.232 0.163 17 0 "[ . 1 . 2]"
1 11 GLU 0.155 0.086 20 0 "[ . 1 . 2]"
1 12 LEU 3.361 0.644 6 1 "[ .+ 1 . 2]"
1 13 ASP 3.275 0.644 6 1 "[ .+ 1 . 2]"
1 14 LYS 0.204 0.111 14 0 "[ . 1 . 2]"
1 15 LYS 0.599 0.184 15 0 "[ . 1 . 2]"
1 16 ALA 1.196 0.184 15 0 "[ . 1 . 2]"
1 17 ASN 0.450 0.084 11 0 "[ . 1 . 2]"
1 18 LEU 2.592 0.203 1 0 "[ . 1 . 2]"
1 19 LEU 0.453 0.095 3 0 "[ . 1 . 2]"
1 20 LYS 0.453 0.095 3 0 "[ . 1 . 2]"
1 21 CYS 0.801 0.192 17 0 "[ . 1 . 2]"
1 22 GLU 0.032 0.025 14 0 "[ . 1 . 2]"
1 23 TYR 0.012 0.012 9 0 "[ . 1 . 2]"
1 24 CYS 0.779 0.147 8 0 "[ . 1 . 2]"
1 25 GLY 0.229 0.093 19 0 "[ . 1 . 2]"
1 26 LYS 0.127 0.065 17 0 "[ . 1 . 2]"
1 27 TYR 0.186 0.088 4 0 "[ . 1 . 2]"
1 28 ALA 2.183 0.203 1 0 "[ . 1 . 2]"
1 29 PRO 0.463 0.148 7 0 "[ . 1 . 2]"
1 30 ALA 0.595 0.065 18 0 "[ . 1 . 2]"
1 31 GLU 1.075 0.157 1 0 "[ . 1 . 2]"
1 32 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 PHE 0.028 0.015 10 0 "[ . 1 . 2]"
1 34 ARG 1.075 0.157 1 0 "[ . 1 . 2]"
1 35 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ARG 0.060 0.025 14 0 "[ . 1 . 2]"
1 39 PHE 2.346 0.300 8 0 "[ . 1 . 2]"
1 40 CYS 2.209 0.227 3 0 "[ . 1 . 2]"
1 41 SER 1.940 0.227 3 0 "[ . 1 . 2]"
1 42 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 CYS 0.103 0.091 16 0 "[ . 1 . 2]"
1 45 ALA 2.827 0.300 8 0 "[ . 1 . 2]"
1 46 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ASN 0.608 0.165 7 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 9 SER HA 1 10 ALA H . . 3.600 2.671 2.132 3.583 . 0 0 "[ . 1 . 2]" 4
2 1 10 ALA H 1 10 ALA MB . . 3.800 2.276 2.223 2.507 . 0 0 "[ . 1 . 2]" 4
3 1 27 TYR QB 1 28 ALA H . . 4.500 3.022 2.878 3.159 . 0 0 "[ . 1 . 2]" 4
4 1 18 LEU HA 1 30 ALA H . . 3.800 3.130 2.808 3.228 . 0 0 "[ . 1 . 2]" 4
5 1 29 PRO QB 1 30 ALA H . . 5.500 3.308 3.260 3.349 . 0 0 "[ . 1 . 2]" 4
6 1 19 LEU QD 1 30 ALA H . . 5.800 3.072 2.693 3.753 . 0 0 "[ . 1 . 2]" 4
7 1 6 ASP H 1 7 SER HA . . 6.000 4.980 3.834 5.598 . 0 0 "[ . 1 . 2]" 4
8 1 6 ASP H 1 6 ASP QB . . 5.600 2.829 2.260 3.299 . 0 0 "[ . 1 . 2]" 4
9 1 18 LEU HA 1 19 LEU H . . 2.500 2.161 2.117 2.205 . 0 0 "[ . 1 . 2]" 4
10 1 19 LEU H 1 19 LEU HG . . 5.800 3.749 2.546 4.300 . 0 0 "[ . 1 . 2]" 4
11 1 25 GLY QA 1 26 LYS H . . 5.600 2.862 2.830 2.889 . 0 0 "[ . 1 . 2]" 4
12 1 26 LYS H 1 26 LYS QG . . 4.300 2.697 2.237 3.895 . 0 0 "[ . 1 . 2]" 4
13 1 18 LEU H 1 18 LEU MD1 . . 6.000 3.711 3.494 3.953 . 0 0 "[ . 1 . 2]" 4
14 1 18 LEU H 1 18 LEU MD2 . . 5.600 3.211 2.973 3.440 . 0 0 "[ . 1 . 2]" 4
15 1 19 LEU HA 1 20 LYS H . . 2.700 2.632 2.263 2.795 0.095 3 0 "[ . 1 . 2]" 4
16 1 12 LEU QB 1 13 ASP H . . 5.400 3.506 2.594 3.897 . 0 0 "[ . 1 . 2]" 4
17 1 10 ALA HA 1 11 GLU H . . 3.600 3.270 2.461 3.575 . 0 0 "[ . 1 . 2]" 4
18 1 11 GLU H 1 12 LEU HA . . 6.000 4.869 4.422 5.285 . 0 0 "[ . 1 . 2]" 4
19 1 11 GLU H 1 11 GLU QB . . 3.400 2.442 2.290 2.584 . 0 0 "[ . 1 . 2]" 4
20 1 10 ALA MB 1 11 GLU H . . 5.000 2.936 1.944 3.720 0.056 4 0 "[ . 1 . 2]" 4
21 1 37 LYS H 1 38 ARG QG . . 6.000 3.885 3.090 5.177 . 0 0 "[ . 1 . 2]" 4
22 1 37 LYS H 1 37 LYS QB . . 4.500 2.595 2.106 3.414 . 0 0 "[ . 1 . 2]" 4
23 1 29 PRO QB 1 32 GLN H . . 6.000 3.302 2.899 3.618 . 0 0 "[ . 1 . 2]" 4
24 1 7 SER HA 1 9 SER H . . 4.300 3.740 3.174 4.371 0.071 12 0 "[ . 1 . 2]" 4
25 1 38 ARG HA 1 39 PHE H . . 4.400 3.516 3.495 3.535 . 0 0 "[ . 1 . 2]" 4
26 1 48 TYR QB 1 49 ASN H . . 5.100 3.062 2.381 3.781 . 0 0 "[ . 1 . 2]" 4
27 1 49 ASN H 1 49 ASN QB . . 5.200 2.989 2.342 3.445 . 0 0 "[ . 1 . 2]" 4
28 1 48 TYR H 1 48 TYR QB . . 3.100 2.279 2.140 2.390 . 0 0 "[ . 1 . 2]" 4
29 1 47 ARG QB 1 48 TYR H . . 6.000 2.881 2.773 3.149 . 0 0 "[ . 1 . 2]" 4
30 1 39 PHE QB 1 45 ALA H . . 5.800 3.148 2.894 3.264 . 0 0 "[ . 1 . 2]" 4
31 1 45 ALA H 1 45 ALA MB . . 3.000 2.226 2.200 2.252 . 0 0 "[ . 1 . 2]" 4
32 1 40 CYS HB3 1 41 SER H . . 6.000 3.900 2.436 4.553 . 0 0 "[ . 1 . 2]" 4
33 1 21 CYS H 1 27 TYR QD . . 6.000 5.911 5.614 6.088 0.088 4 0 "[ . 1 . 2]" 4
34 1 19 LEU H 1 27 TYR QD . . 6.000 4.084 3.138 4.715 . 0 0 "[ . 1 . 2]" 4
35 1 25 GLY H 1 26 LYS H . . 3.300 2.274 2.154 2.356 . 0 0 "[ . 1 . 2]" 4
36 1 33 PHE H 1 34 ARG H . . 4.300 3.463 2.785 3.780 . 0 0 "[ . 1 . 2]" 4
37 1 27 TYR H 1 27 TYR QD . . 3.800 2.562 2.087 3.273 . 0 0 "[ . 1 . 2]" 4
38 1 23 TYR H 1 39 PHE QD . . 3.600 2.706 2.377 2.942 . 0 0 "[ . 1 . 2]" 4
39 1 37 LYS H 1 38 ARG H . . 3.800 3.280 2.721 3.743 . 0 0 "[ . 1 . 2]" 4
40 1 24 CYS H 1 25 GLY H . . 2.800 2.210 2.035 2.893 0.093 19 0 "[ . 1 . 2]" 4
41 1 40 CYS H 1 41 SER H . . 4.900 4.210 4.087 4.332 . 0 0 "[ . 1 . 2]" 4
42 1 3 ARG HA 1 4 GLY H . . 5.400 2.625 2.139 3.572 . 0 0 "[ . 1 . 2]" 4
43 1 4 GLY H 1 5 VAL H . . 6.000 3.696 1.955 4.451 . 0 0 "[ . 1 . 2]" 4
44 1 5 VAL H 1 6 ASP H . . 5.500 3.041 1.766 4.387 0.134 2 0 "[ . 1 . 2]" 4
45 1 5 VAL HB 1 6 ASP H . . 6.000 3.407 1.919 4.517 0.081 11 0 "[ . 1 . 2]" 4
46 1 6 ASP QB 1 7 SER H . . 6.000 3.736 2.196 4.049 . 0 0 "[ . 1 . 2]" 4
47 1 7 SER H 1 8 PRO QD . . 6.000 4.146 3.709 4.370 . 0 0 "[ . 1 . 2]" 4
48 1 8 PRO QD 1 9 SER H . . 6.000 2.711 2.089 3.872 . 0 0 "[ . 1 . 2]" 4
49 1 8 PRO QB 1 9 SER H . . 6.000 3.234 2.109 3.932 . 0 0 "[ . 1 . 2]" 4
50 1 9 SER H 1 10 ALA MB . . 6.000 5.165 3.880 5.800 . 0 0 "[ . 1 . 2]" 4
51 1 9 SER QB 1 10 ALA H . . 5.800 3.014 1.837 3.918 0.163 17 0 "[ . 1 . 2]" 4
52 1 10 ALA H 1 11 GLU QB . . 6.000 4.763 3.836 5.386 . 0 0 "[ . 1 . 2]" 4
53 1 9 SER QB 1 11 GLU H . . 6.000 3.795 2.596 4.997 . 0 0 "[ . 1 . 2]" 4
54 1 12 LEU H 1 12 LEU MD1 . . 6.000 3.517 2.033 4.145 . 0 0 "[ . 1 . 2]" 4
55 1 11 GLU QB 1 12 LEU H . . 4.300 2.991 2.113 3.789 . 0 0 "[ . 1 . 2]" 4
56 1 11 GLU H 1 12 LEU H . . 4.000 2.424 1.914 2.773 0.086 20 0 "[ . 1 . 2]" 4
57 1 12 LEU MD1 1 13 ASP H . . 5.000 4.582 2.468 5.644 0.644 6 1 "[ .+ 1 . 2]" 4
58 1 11 GLU QB 1 13 ASP H . . 6.000 4.326 3.473 4.847 . 0 0 "[ . 1 . 2]" 4
59 1 13 ASP H 1 14 LYS QB . . 6.000 4.201 3.248 5.476 . 0 0 "[ . 1 . 2]" 4
60 1 13 ASP QB 1 14 LYS H . . 5.600 3.684 2.641 4.013 . 0 0 "[ . 1 . 2]" 4
61 1 13 ASP HA 1 15 LYS H . . 5.100 4.078 3.270 5.003 . 0 0 "[ . 1 . 2]" 4
62 1 16 ALA H 1 18 LEU MD2 . . 6.000 4.158 2.562 5.058 . 0 0 "[ . 1 . 2]" 4
63 1 16 ALA H 1 29 PRO HA . . 6.000 5.535 3.924 6.148 0.148 7 0 "[ . 1 . 2]" 4
64 1 15 LYS H 1 16 ALA H . . 4.300 3.478 2.469 4.484 0.184 15 0 "[ . 1 . 2]" 4
65 1 16 ALA H 1 17 ASN H . . 4.600 2.597 1.916 4.197 0.084 11 0 "[ . 1 . 2]" 4
66 1 17 ASN H 1 18 LEU MD2 . . 6.000 3.617 2.179 4.575 . 0 0 "[ . 1 . 2]" 4
67 1 17 ASN H 1 18 LEU HG . . 6.000 4.126 2.378 5.083 . 0 0 "[ . 1 . 2]" 4
68 1 17 ASN QB 1 18 LEU H . . 5.800 3.806 3.399 4.095 . 0 0 "[ . 1 . 2]" 4
69 1 16 ALA HA 1 18 LEU H . . 5.600 4.597 3.667 5.433 . 0 0 "[ . 1 . 2]" 4
70 1 17 ASN H 1 18 LEU H . . 4.300 3.785 1.999 4.382 0.082 16 0 "[ . 1 . 2]" 4
71 1 18 LEU H 1 28 ALA H . . 6.000 6.099 6.020 6.203 0.203 1 0 "[ . 1 . 2]" 4
72 1 19 LEU H 1 27 TYR QB . . 6.000 4.377 4.302 4.480 . 0 0 "[ . 1 . 2]" 4
73 1 19 LEU H 1 30 ALA HA . . 6.000 4.494 4.194 4.800 . 0 0 "[ . 1 . 2]" 4
74 1 19 LEU H 1 20 LYS HA . . 6.000 4.199 4.148 4.259 . 0 0 "[ . 1 . 2]" 4
75 1 19 LEU H 1 27 TYR HA . . 6.000 4.012 3.854 4.173 . 0 0 "[ . 1 . 2]" 4
76 1 19 LEU H 1 33 PHE QD . . 6.000 5.055 4.587 5.580 . 0 0 "[ . 1 . 2]" 4
77 1 19 LEU H 1 28 ALA HA . . 6.000 4.867 4.703 5.197 . 0 0 "[ . 1 . 2]" 4
78 1 18 LEU HG 1 19 LEU H . . 6.000 5.088 4.983 5.199 . 0 0 "[ . 1 . 2]" 4
79 1 19 LEU H 1 28 ALA MB . . 6.000 4.341 4.187 4.527 . 0 0 "[ . 1 . 2]" 4
80 1 6 ASP H 1 7 SER H . . 5.600 3.121 2.362 4.534 . 0 0 "[ . 1 . 2]" 4
81 1 20 LYS H 1 27 TYR HA . . 6.000 4.500 4.117 4.700 . 0 0 "[ . 1 . 2]" 4
82 1 20 LYS H 1 27 TYR QE . . 6.000 4.553 3.291 5.571 . 0 0 "[ . 1 . 2]" 4
83 1 20 LYS H 1 21 CYS H . . 6.000 4.322 4.236 4.444 . 0 0 "[ . 1 . 2]" 4
84 1 19 LEU H 1 20 LYS H . . 6.000 4.331 4.282 4.380 . 0 0 "[ . 1 . 2]" 4
85 1 20 LYS QB 1 21 CYS H . . 4.300 2.798 2.652 2.939 . 0 0 "[ . 1 . 2]" 4
86 1 21 CYS H 1 40 CYS HB2 . . 6.000 5.548 5.012 6.192 0.192 17 0 "[ . 1 . 2]" 4
87 1 21 CYS H 1 40 CYS HB3 . . 5.800 4.010 3.358 5.550 . 0 0 "[ . 1 . 2]" 4
88 1 21 CYS H 1 25 GLY QA . . 6.000 4.191 3.727 4.470 . 0 0 "[ . 1 . 2]" 4
89 1 21 CYS H 1 25 GLY H . . 6.000 4.140 3.883 4.381 . 0 0 "[ . 1 . 2]" 4
90 1 21 CYS H 1 26 LYS H . . 4.700 3.523 3.186 3.779 . 0 0 "[ . 1 . 2]" 4
91 1 21 CYS H 1 28 ALA H . . 6.000 4.841 4.272 5.129 . 0 0 "[ . 1 . 2]" 4
92 1 20 LYS QG 1 22 GLU H . . 6.000 4.711 3.980 5.721 . 0 0 "[ . 1 . 2]" 4
93 1 22 GLU H 1 38 ARG QB . . 6.000 4.229 3.790 4.983 . 0 0 "[ . 1 . 2]" 4
94 1 22 GLU H 1 39 PHE QB . . 6.000 4.839 4.440 5.139 . 0 0 "[ . 1 . 2]" 4
95 1 21 CYS HB3 1 22 GLU H . . 6.000 4.428 4.311 4.515 . 0 0 "[ . 1 . 2]" 4
96 1 21 CYS HB2 1 22 GLU H . . 6.000 4.474 4.300 4.592 . 0 0 "[ . 1 . 2]" 4
97 1 22 GLU H 1 38 ARG HA . . 6.000 3.936 3.534 4.663 . 0 0 "[ . 1 . 2]" 4
98 1 22 GLU H 1 23 TYR HA . . 6.000 5.365 5.292 5.424 . 0 0 "[ . 1 . 2]" 4
99 1 22 GLU H 1 39 PHE QD . . 5.000 3.566 3.083 3.897 . 0 0 "[ . 1 . 2]" 4
100 1 22 GLU H 1 25 GLY H . . 6.000 4.915 4.790 5.120 . 0 0 "[ . 1 . 2]" 4
101 1 22 GLU H 1 39 PHE H . . 6.000 4.998 4.735 5.371 . 0 0 "[ . 1 . 2]" 4
102 1 22 GLU H 1 38 ARG H . . 6.000 5.670 5.426 6.025 0.025 14 0 "[ . 1 . 2]" 4
103 1 21 CYS H 1 22 GLU H . . 6.000 4.338 4.240 4.438 . 0 0 "[ . 1 . 2]" 4
104 1 22 GLU H 1 40 CYS H . . 6.000 5.093 4.849 5.407 . 0 0 "[ . 1 . 2]" 4
105 1 22 GLU QB 1 23 TYR H . . 5.200 3.571 3.354 3.972 . 0 0 "[ . 1 . 2]" 4
106 1 22 GLU QG 1 23 TYR H . . 5.300 4.431 3.418 4.822 . 0 0 "[ . 1 . 2]" 4
107 1 21 CYS HB3 1 23 TYR H . . 5.800 3.584 3.293 3.878 . 0 0 "[ . 1 . 2]" 4
108 1 23 TYR H 1 44 CYS HB3 . . 6.000 5.072 4.456 6.012 0.012 9 0 "[ . 1 . 2]" 4
109 1 23 TYR H 1 39 PHE HA . . 6.000 4.049 3.740 4.346 . 0 0 "[ . 1 . 2]" 4
110 1 23 TYR H 1 24 CYS H . . 3.100 2.313 2.040 3.097 . 0 0 "[ . 1 . 2]" 4
111 1 23 TYR H 1 40 CYS H . . 6.000 5.081 4.911 5.357 . 0 0 "[ . 1 . 2]" 4
112 1 21 CYS HB3 1 24 CYS H . . 4.500 3.177 2.513 3.872 . 0 0 "[ . 1 . 2]" 4
113 1 23 TYR HA 1 24 CYS H . . 5.400 3.546 3.501 3.569 . 0 0 "[ . 1 . 2]" 4
114 1 24 CYS H 1 39 PHE HA . . 6.000 5.396 4.980 6.089 0.089 19 0 "[ . 1 . 2]" 4
115 1 24 CYS H 1 39 PHE QE . . 6.000 5.107 4.775 5.647 . 0 0 "[ . 1 . 2]" 4
116 1 21 CYS H 1 24 CYS H . . 6.000 5.375 5.100 6.147 0.147 8 0 "[ . 1 . 2]" 4
117 1 22 GLU H 1 24 CYS H . . 6.000 5.014 4.764 5.962 . 0 0 "[ . 1 . 2]" 4
118 1 24 CYS H 1 40 CYS H . . 6.000 5.478 5.123 5.824 . 0 0 "[ . 1 . 2]" 4
119 1 20 LYS QG 1 25 GLY H . . 6.000 4.227 3.842 5.267 . 0 0 "[ . 1 . 2]" 4
120 1 25 GLY H 1 26 LYS QG . . 6.000 4.251 3.755 5.678 . 0 0 "[ . 1 . 2]" 4
121 1 25 GLY H 1 26 LYS QB . . 6.000 4.298 3.897 4.486 . 0 0 "[ . 1 . 2]" 4
122 1 23 TYR H 1 25 GLY H . . 5.800 3.230 3.082 3.400 . 0 0 "[ . 1 . 2]" 4
123 1 26 LYS H 1 27 TYR HA . . 6.000 5.256 5.149 5.328 . 0 0 "[ . 1 . 2]" 4
124 1 26 LYS H 1 27 TYR H . . 6.000 4.529 4.498 4.554 . 0 0 "[ . 1 . 2]" 4
125 1 23 TYR H 1 26 LYS H . . 6.000 5.119 4.909 5.326 . 0 0 "[ . 1 . 2]" 4
126 1 18 LEU MD1 1 27 TYR H . . 6.000 5.375 4.665 5.775 . 0 0 "[ . 1 . 2]" 4
127 1 18 LEU QB 1 27 TYR H . . 6.000 5.528 5.106 5.761 . 0 0 "[ . 1 . 2]" 4
128 1 26 LYS QG 1 27 TYR H . . 6.000 4.077 2.306 4.717 . 0 0 "[ . 1 . 2]" 4
129 1 20 LYS HA 1 27 TYR H . . 6.000 4.912 4.573 5.111 . 0 0 "[ . 1 . 2]" 4
130 1 27 TYR H 1 28 ALA HA . . 6.000 5.368 5.312 5.481 . 0 0 "[ . 1 . 2]" 4
131 1 27 TYR H 1 27 TYR QE . . 6.000 4.654 4.260 5.249 . 0 0 "[ . 1 . 2]" 4
132 1 21 CYS H 1 27 TYR H . . 6.000 5.493 5.188 5.610 . 0 0 "[ . 1 . 2]" 4
133 1 27 TYR H 1 28 ALA H . . 6.000 4.478 4.425 4.510 . 0 0 "[ . 1 . 2]" 4
134 1 19 LEU H 1 28 ALA H . . 3.600 2.735 2.613 2.961 . 0 0 "[ . 1 . 2]" 4
135 1 20 LYS H 1 28 ALA H . . 6.000 5.115 4.886 5.369 . 0 0 "[ . 1 . 2]" 4
136 1 18 LEU HA 1 28 ALA H . . 6.000 3.727 3.630 3.797 . 0 0 "[ . 1 . 2]" 4
137 1 19 LEU HA 1 28 ALA H . . 6.000 4.568 4.356 4.890 . 0 0 "[ . 1 . 2]" 4
138 1 18 LEU QB 1 28 ALA H . . 4.200 2.778 2.597 2.923 . 0 0 "[ . 1 . 2]" 4
139 1 19 LEU QD 1 28 ALA H . . 5.400 3.755 3.308 4.701 . 0 0 "[ . 1 . 2]" 4
140 1 18 LEU MD1 1 28 ALA H . . 6.000 4.153 3.507 4.358 . 0 0 "[ . 1 . 2]" 4
141 1 19 LEU HG 1 30 ALA H . . 6.000 5.408 4.246 5.898 . 0 0 "[ . 1 . 2]" 4
142 1 28 ALA MB 1 30 ALA H . . 6.000 5.187 5.043 5.311 . 0 0 "[ . 1 . 2]" 4
143 1 18 LEU HG 1 30 ALA H . . 5.800 5.779 5.482 5.865 0.065 18 0 "[ . 1 . 2]" 4
144 1 18 LEU QB 1 30 ALA H . . 6.000 5.029 4.765 5.148 . 0 0 "[ . 1 . 2]" 4
145 1 17 ASN QB 1 30 ALA H . . 4.700 4.171 3.611 4.598 . 0 0 "[ . 1 . 2]" 4
146 1 17 ASN QD 1 30 ALA H . . 6.000 2.933 1.983 4.634 0.017 7 0 "[ . 1 . 2]" 4
147 1 30 ALA H 1 33 PHE QD . . 6.000 4.314 3.870 5.063 . 0 0 "[ . 1 . 2]" 4
148 1 18 LEU H 1 30 ALA H . . 6.000 5.111 4.782 5.262 . 0 0 "[ . 1 . 2]" 4
149 1 30 ALA H 1 31 GLU H . . 4.100 2.978 2.858 3.084 . 0 0 "[ . 1 . 2]" 4
150 1 29 PRO HA 1 31 GLU H . . 6.000 3.844 3.710 3.955 . 0 0 "[ . 1 . 2]" 4
151 1 29 PRO QB 1 31 GLU H . . 5.400 2.722 2.479 3.046 . 0 0 "[ . 1 . 2]" 4
152 1 30 ALA MB 1 32 GLN H . . 6.000 4.512 4.332 5.013 . 0 0 "[ . 1 . 2]" 4
153 1 32 GLN H 1 33 PHE QB . . 6.000 4.272 4.145 4.459 . 0 0 "[ . 1 . 2]" 4
154 1 32 GLN H 1 33 PHE QD . . 4.900 3.070 2.588 3.380 . 0 0 "[ . 1 . 2]" 4
155 1 32 GLN H 1 33 PHE H . . 3.300 2.435 2.295 2.766 . 0 0 "[ . 1 . 2]" 4
156 1 30 ALA H 1 32 GLN H . . 6.000 4.569 4.241 5.143 . 0 0 "[ . 1 . 2]" 4
157 1 31 GLU H 1 32 GLN H . . 3.500 2.717 2.556 3.019 . 0 0 "[ . 1 . 2]" 4
158 1 31 GLU H 1 33 PHE H . . 6.000 4.167 4.104 4.262 . 0 0 "[ . 1 . 2]" 4
159 1 19 LEU QD 1 33 PHE H . . 6.000 4.338 3.883 4.728 . 0 0 "[ . 1 . 2]" 4
160 1 30 ALA MB 1 33 PHE H . . 6.000 4.447 4.324 4.618 . 0 0 "[ . 1 . 2]" 4
161 1 32 GLN QB 1 33 PHE H . . 4.700 3.167 2.706 4.029 . 0 0 "[ . 1 . 2]" 4
162 1 32 GLN QG 1 33 PHE H . . 6.000 3.690 2.358 4.421 . 0 0 "[ . 1 . 2]" 4
163 1 30 ALA HA 1 33 PHE H . . 5.600 3.510 3.225 4.034 . 0 0 "[ . 1 . 2]" 4
164 1 33 PHE H 1 37 LYS HA . . 6.000 5.039 4.365 5.584 . 0 0 "[ . 1 . 2]" 4
165 1 30 ALA H 1 33 PHE H . . 6.000 5.402 5.068 5.866 . 0 0 "[ . 1 . 2]" 4
166 1 34 ARG H 1 35 GLY H . . 6.000 3.566 2.429 4.606 . 0 0 "[ . 1 . 2]" 4
167 1 33 PHE QD 1 34 ARG H . . 6.000 4.804 4.557 4.929 . 0 0 "[ . 1 . 2]" 4
168 1 31 GLU HA 1 34 ARG H . . 6.000 5.891 5.026 6.157 0.157 1 0 "[ . 1 . 2]" 4
169 1 33 PHE QB 1 34 ARG H . . 5.100 3.871 3.759 3.898 . 0 0 "[ . 1 . 2]" 4
170 1 34 ARG QB 1 35 GLY H . . 6.000 2.945 2.482 3.564 . 0 0 "[ . 1 . 2]" 4
171 1 35 GLY H 1 35 GLY QA . . 5.100 2.259 2.233 2.287 . 0 0 "[ . 1 . 2]" 4
172 1 37 LYS QB 1 38 ARG H . . 5.100 3.864 3.596 3.969 . 0 0 "[ . 1 . 2]" 4
173 1 38 ARG H 1 39 PHE QB . . 6.000 4.221 4.110 4.473 . 0 0 "[ . 1 . 2]" 4
174 1 38 ARG H 1 38 ARG QD . . 6.000 4.591 3.962 5.089 . 0 0 "[ . 1 . 2]" 4
175 1 36 SER HA 1 38 ARG H . . 6.000 4.510 3.567 5.088 . 0 0 "[ . 1 . 2]" 4
176 1 38 ARG H 1 39 PHE HA . . 6.000 4.320 4.115 4.875 . 0 0 "[ . 1 . 2]" 4
177 1 33 PHE QD 1 38 ARG H . . 5.600 2.593 1.985 3.517 0.015 10 0 "[ . 1 . 2]" 4
178 1 38 ARG H 1 39 PHE QD . . 6.000 4.292 4.074 4.526 . 0 0 "[ . 1 . 2]" 4
179 1 38 ARG QB 1 39 PHE H . . 5.200 2.693 2.434 2.883 . 0 0 "[ . 1 . 2]" 4
180 1 38 ARG QG 1 39 PHE H . . 6.000 4.166 3.937 4.500 . 0 0 "[ . 1 . 2]" 4
181 1 37 LYS QB 1 39 PHE H . . 6.000 5.330 5.142 5.399 . 0 0 "[ . 1 . 2]" 4
182 1 38 ARG QD 1 39 PHE H . . 6.000 5.020 4.550 5.502 . 0 0 "[ . 1 . 2]" 4
183 1 33 PHE QD 1 39 PHE H . . 4.300 2.826 2.259 3.380 . 0 0 "[ . 1 . 2]" 4
184 1 39 PHE H 1 39 PHE QD . . 4.000 3.187 3.022 3.330 . 0 0 "[ . 1 . 2]" 4
185 1 37 LYS H 1 39 PHE H . . 6.000 4.683 3.750 5.198 . 0 0 "[ . 1 . 2]" 4
186 1 39 PHE H 1 40 CYS H . . 6.000 4.352 3.966 4.416 . 0 0 "[ . 1 . 2]" 4
187 1 32 GLN QE 1 40 CYS H . . 5.800 4.809 4.136 5.425 . 0 0 "[ . 1 . 2]" 4
188 1 33 PHE QD 1 40 CYS H . . 6.000 4.424 3.590 5.069 . 0 0 "[ . 1 . 2]" 4
189 1 40 CYS H 1 44 CYS H . . 6.000 5.408 5.047 6.091 0.091 16 0 "[ . 1 . 2]" 4
190 1 21 CYS H 1 40 CYS H . . 6.000 4.161 3.632 4.575 . 0 0 "[ . 1 . 2]" 4
191 1 28 ALA MB 1 41 SER H . . 6.000 5.698 5.263 6.075 0.075 14 0 "[ . 1 . 2]" 4
192 1 40 CYS HB2 1 41 SER H . . 6.000 2.948 1.773 4.107 0.227 3 0 "[ . 1 . 2]" 4
193 1 42 MET QG 1 43 THR H . . 6.000 3.968 2.900 4.525 . 0 0 "[ . 1 . 2]" 4
194 1 43 THR H 1 45 ALA H . . 6.000 4.632 4.222 4.817 . 0 0 "[ . 1 . 2]" 4
195 1 44 CYS H 1 47 ARG QB . . 6.000 4.532 4.291 4.895 . 0 0 "[ . 1 . 2]" 4
196 1 44 CYS H 1 46 LYS QB . . 6.000 5.168 4.304 5.744 . 0 0 "[ . 1 . 2]" 4
197 1 42 MET QB 1 44 CYS H . . 6.000 4.646 4.484 4.794 . 0 0 "[ . 1 . 2]" 4
198 1 44 CYS H 1 45 ALA HA . . 6.000 5.264 5.110 5.340 . 0 0 "[ . 1 . 2]" 4
199 1 44 CYS H 1 45 ALA H . . 3.600 2.678 2.481 2.802 . 0 0 "[ . 1 . 2]" 4
200 1 42 MET QB 1 45 ALA H . . 6.000 5.121 4.524 5.364 . 0 0 "[ . 1 . 2]" 4
201 1 44 CYS HA 1 45 ALA H . . 5.400 3.580 3.527 3.619 . 0 0 "[ . 1 . 2]" 4
202 1 43 THR HA 1 45 ALA H . . 6.000 4.956 4.598 5.203 . 0 0 "[ . 1 . 2]" 4
203 1 45 ALA H 1 46 LYS HA . . 6.000 5.294 5.233 5.353 . 0 0 "[ . 1 . 2]" 4
204 1 45 ALA H 1 46 LYS H . . 3.500 2.723 2.646 2.802 . 0 0 "[ . 1 . 2]" 4
205 1 40 CYS H 1 45 ALA H . . 6.000 4.980 4.678 5.657 . 0 0 "[ . 1 . 2]" 4
206 1 46 LYS H 1 47 ARG QB . . 6.000 4.349 4.121 4.514 . 0 0 "[ . 1 . 2]" 4
207 1 44 CYS HA 1 46 LYS H . . 6.000 4.509 4.291 4.678 . 0 0 "[ . 1 . 2]" 4
208 1 43 THR H 1 46 LYS H . . 6.000 4.858 4.690 5.061 . 0 0 "[ . 1 . 2]" 4
209 1 45 ALA HA 1 47 ARG H . . 6.000 4.208 4.062 4.439 . 0 0 "[ . 1 . 2]" 4
210 1 47 ARG H 1 48 TYR HA . . 6.000 5.153 4.965 5.278 . 0 0 "[ . 1 . 2]" 4
211 1 45 ALA HA 1 48 TYR H . . 5.100 3.669 3.377 3.878 . 0 0 "[ . 1 . 2]" 4
212 1 44 CYS HA 1 48 TYR H . . 6.000 4.522 4.154 4.789 . 0 0 "[ . 1 . 2]" 4
213 1 46 LYS H 1 48 TYR H . . 5.800 4.207 4.087 4.343 . 0 0 "[ . 1 . 2]" 4
214 1 47 ARG QB 1 49 ASN H . . 5.600 4.645 4.446 5.080 . 0 0 "[ . 1 . 2]" 4
215 1 45 ALA MB 1 49 ASN H . . 6.000 5.629 4.365 6.165 0.165 7 0 "[ . 1 . 2]" 4
216 1 45 ALA HA 1 49 ASN H . . 6.000 5.393 3.999 6.032 0.032 20 0 "[ . 1 . 2]" 4
217 1 47 ARG HA 1 49 ASN H . . 6.000 3.823 3.294 4.807 . 0 0 "[ . 1 . 2]" 4
218 1 46 LYS HA 1 49 ASN H . . 6.000 3.807 3.136 4.476 . 0 0 "[ . 1 . 2]" 4
219 1 5 VAL H 1 7 SER HA . . 6.000 5.677 4.302 6.137 0.137 3 0 "[ . 1 . 2]" 4
220 1 10 ALA H 1 11 GLU QG . . 6.000 4.276 2.747 5.381 . 0 0 "[ . 1 . 2]" 4
221 1 9 SER HA 1 11 GLU H . . 6.000 4.297 3.403 5.325 . 0 0 "[ . 1 . 2]" 4
222 1 17 ASN H 1 30 ALA H . . 6.000 4.957 4.003 5.970 . 0 0 "[ . 1 . 2]" 4
223 1 29 PRO QD 1 30 ALA H . . 6.000 4.897 4.834 4.930 . 0 0 "[ . 1 . 2]" 4
224 1 19 LEU HG 1 20 LYS H . . 6.000 3.918 2.435 5.007 . 0 0 "[ . 1 . 2]" 4
225 1 21 CYS H 1 26 LYS HA . . 6.000 5.195 4.918 5.379 . 0 0 "[ . 1 . 2]" 4
226 1 23 TYR H 1 39 PHE QE . . 5.200 3.340 3.080 3.895 . 0 0 "[ . 1 . 2]" 4
227 1 24 CYS H 1 25 GLY QA . . 6.000 4.099 3.942 4.653 . 0 0 "[ . 1 . 2]" 4
228 1 25 GLY H 1 26 LYS HA . . 6.000 4.948 4.830 5.047 . 0 0 "[ . 1 . 2]" 4
229 1 20 LYS QB 1 26 LYS H . . 6.000 3.238 2.982 3.505 . 0 0 "[ . 1 . 2]" 4
230 1 20 LYS HA 1 26 LYS H . . 6.000 4.680 4.400 4.986 . 0 0 "[ . 1 . 2]" 4
231 1 30 ALA H 1 33 PHE QB . . 6.000 5.361 5.081 5.798 . 0 0 "[ . 1 . 2]" 4
232 1 28 ALA HA 1 30 ALA H . . 6.000 5.962 5.872 6.051 0.051 15 0 "[ . 1 . 2]" 4
233 1 31 GLU H 1 33 PHE QD . . 6.000 4.321 3.967 4.758 . 0 0 "[ . 1 . 2]" 4
234 1 29 PRO QD 1 32 GLN H . . 6.000 4.281 3.749 4.561 . 0 0 "[ . 1 . 2]" 4
235 1 32 GLN QB 1 34 ARG H . . 6.000 4.691 4.247 5.070 . 0 0 "[ . 1 . 2]" 4
236 1 26 LYS H 1 40 CYS H . . 6.000 5.818 5.317 6.065 0.065 17 0 "[ . 1 . 2]" 4
237 1 40 CYS HA 1 41 SER H . . 6.000 2.730 2.323 3.105 . 0 0 "[ . 1 . 2]" 4
238 1 41 SER H 1 42 MET H . . 6.000 4.214 3.741 4.560 . 0 0 "[ . 1 . 2]" 4
239 1 43 THR H 1 44 CYS HA . . 6.000 5.543 5.513 5.594 . 0 0 "[ . 1 . 2]" 4
240 1 42 MET H 1 43 THR H . . 6.000 2.613 2.469 2.712 . 0 0 "[ . 1 . 2]" 4
241 1 39 PHE H 1 45 ALA H . . 6.000 6.081 5.776 6.300 0.300 8 0 "[ . 1 . 2]" 4
242 1 44 CYS H 1 46 LYS H . . 6.000 4.117 3.957 4.251 . 0 0 "[ . 1 . 2]" 4
243 1 46 LYS H 1 47 ARG H . . 3.300 2.631 2.488 2.766 . 0 0 "[ . 1 . 2]" 4
244 1 44 CYS H 1 47 ARG H . . 6.000 4.558 4.335 4.808 . 0 0 "[ . 1 . 2]" 4
245 1 46 LYS HA 1 48 TYR H . . 6.000 4.076 3.926 4.259 . 0 0 "[ . 1 . 2]" 4
246 1 47 ARG H 1 48 TYR H . . 6.000 2.568 2.436 2.687 . 0 0 "[ . 1 . 2]" 4
247 1 48 TYR H 1 49 ASN H . . 3.300 2.553 2.190 2.792 . 0 0 "[ . 1 . 2]" 4
248 1 48 TYR HA 1 49 ASN H . . 6.000 3.349 2.980 3.540 . 0 0 "[ . 1 . 2]" 4
249 1 14 LYS H 1 15 LYS H . . 3.900 2.638 1.789 3.860 0.111 14 0 "[ . 1 . 2]" 4
250 1 13 ASP QB 1 15 LYS H . . 6.000 4.705 3.160 5.577 . 0 0 "[ . 1 . 2]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 2
_Distance_constraint_stats_list.Viol_count 19
_Distance_constraint_stats_list.Viol_total 188.226
_Distance_constraint_stats_list.Viol_max 1.121
_Distance_constraint_stats_list.Viol_rms 0.3286
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2353
_Distance_constraint_stats_list.Viol_average_violations_only 0.4953
_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 12 LEU 0.002 0.002 7 0 "[ . 1 . 2]"
1 15 LYS 0.002 0.002 7 0 "[ . 1 . 2]"
1 28 ALA 9.409 1.121 1 9 "[+* **-** 1 *. * 2]"
1 33 PHE 9.409 1.121 1 9 "[+* **-** 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 12 LEU HG 1 15 LYS H . 6.000 . 7.268 5.998 9.634 0.002 7 0 "[ . 1 . 2]" 5
2 1 28 ALA H 1 33 PHE HZ . 3.900 . 3.460 2.779 4.254 1.121 1 9 "[+* **-** 1 *. * 2]" 5
stop_
save_