NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
577787 |
2mlh   |
19343 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mlh
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 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 8 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ASP 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 8 GLY H 1 61 ASP H 3.500 . 5.000 3.240 2.573 4.184 . 0 0 "[ . 1 . 2]" 1
2 1 10 TYR H 1 59 GLY H 3.500 . 5.000 3.513 2.938 3.957 . 0 0 "[ . 1 . 2]" 1
3 1 12 GLN H 1 57 SER H 3.500 . 5.000 3.672 2.889 4.118 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 4
_Distance_constraint_stats_list.Viol_count 31
_Distance_constraint_stats_list.Viol_total 61.097
_Distance_constraint_stats_list.Viol_max 0.243
_Distance_constraint_stats_list.Viol_rms 0.0650
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0382
_Distance_constraint_stats_list.Viol_average_violations_only 0.0985
_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 65 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ARG 1.257 0.231 15 0 "[ . 1 . 2]"
1 68 ALA 1.123 0.243 19 0 "[ . 1 . 2]"
1 70 ASP 0.674 0.152 18 0 "[ . 1 . 2]"
1 118 GLY 0.674 0.152 18 0 "[ . 1 . 2]"
1 120 SER 1.123 0.243 19 0 "[ . 1 . 2]"
1 122 ILE 1.257 0.231 15 0 "[ . 1 . 2]"
1 124 ASP 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 65 TRP H 1 124 ASP H 4.000 . 6.500 4.429 3.425 5.306 . 0 0 "[ . 1 . 2]" 2
2 1 66 ARG H 1 122 ILE H 3.000 2.500 3.500 3.423 2.838 3.731 0.231 15 0 "[ . 1 . 2]" 2
3 1 68 ALA H 1 120 SER H 3.000 2.500 3.500 3.429 2.864 3.743 0.243 19 0 "[ . 1 . 2]" 2
4 1 70 ASP H 1 118 GLY H 3.000 2.500 3.500 3.432 2.734 3.652 0.152 18 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 4
_Distance_constraint_stats_list.Viol_count 23
_Distance_constraint_stats_list.Viol_total 49.116
_Distance_constraint_stats_list.Viol_max 0.265
_Distance_constraint_stats_list.Viol_rms 0.0628
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0307
_Distance_constraint_stats_list.Viol_average_violations_only 0.1068
_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
1 205 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 207 THR 0.955 0.265 12 0 "[ . 1 . 2]"
1 209 ASP 0.557 0.234 3 0 "[ . 1 . 2]"
1 211 GLY 0.944 0.175 11 0 "[ . 1 . 2]"
1 231 SER 0.944 0.175 11 0 "[ . 1 . 2]"
1 233 GLY 0.557 0.234 3 0 "[ . 1 . 2]"
1 235 ARG 0.955 0.265 12 0 "[ . 1 . 2]"
1 237 ARG 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 1 205 LYS H 1 237 ARG H 4.000 . 6.500 4.539 4.049 4.941 . 0 0 "[ . 1 . 2]" 3
2 1 207 THR H 1 235 ARG H 3.000 2.500 3.500 3.417 2.964 3.765 0.265 12 0 "[ . 1 . 2]" 3
3 1 209 ASP H 1 233 GLY H 3.000 2.500 3.500 3.284 2.899 3.734 0.234 3 0 "[ . 1 . 2]" 3
4 1 211 GLY H 1 231 SER H 3.000 2.500 3.500 3.288 2.475 3.675 0.175 11 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 5
_Distance_constraint_stats_list.Viol_count 44
_Distance_constraint_stats_list.Viol_total 137.431
_Distance_constraint_stats_list.Viol_max 0.347
_Distance_constraint_stats_list.Viol_rms 0.1071
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0687
_Distance_constraint_stats_list.Viol_average_violations_only 0.1562
_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
1 196 ALA 1.764 0.293 2 0 "[ . 1 . 2]"
1 198 VAL 0.050 0.027 13 0 "[ . 1 . 2]"
1 200 PHE 0.060 0.033 8 0 "[ . 1 . 2]"
1 201 ASP 3.248 0.347 4 0 "[ . 1 . 2]"
1 202 ILE 1.750 0.299 5 0 "[ . 1 . 2]"
1 206 LEU 1.750 0.299 5 0 "[ . 1 . 2]"
1 207 THR 3.248 0.347 4 0 "[ . 1 . 2]"
1 208 LEU 0.060 0.033 8 0 "[ . 1 . 2]"
1 210 ALA 0.050 0.027 13 0 "[ . 1 . 2]"
1 212 TYR 1.764 0.293 2 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 1 196 ALA H 1 212 TYR H 3.000 2.500 3.500 3.512 3.054 3.793 0.293 2 0 "[ . 1 . 2]" 4
2 1 198 VAL H 1 210 ALA H 3.000 2.500 3.500 2.810 2.473 3.475 0.027 13 0 "[ . 1 . 2]" 4
3 1 200 PHE H 1 208 LEU H 3.000 2.500 3.500 3.044 2.503 3.533 0.033 8 0 "[ . 1 . 2]" 4
4 1 201 ASP H 1 207 THR H 4.000 . 6.500 6.636 6.279 6.847 0.347 4 0 "[ . 1 . 2]" 4
5 1 202 ILE H 1 206 LEU H 3.000 2.500 3.500 3.485 3.023 3.799 0.299 5 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 5
_Distance_constraint_stats_list.Viol_count 33
_Distance_constraint_stats_list.Viol_total 58.688
_Distance_constraint_stats_list.Viol_max 0.247
_Distance_constraint_stats_list.Viol_rms 0.0561
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0293
_Distance_constraint_stats_list.Viol_average_violations_only 0.0889
_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
1 132 LYS 0.180 0.087 12 0 "[ . 1 . 2]"
1 134 TYR 1.246 0.237 4 0 "[ . 1 . 2]"
1 136 GLY 0.082 0.050 1 0 "[ . 1 . 2]"
1 138 ARG 0.161 0.100 6 0 "[ . 1 . 2]"
1 140 ALA 1.265 0.247 19 0 "[ . 1 . 2]"
1 191 GLY 1.265 0.247 19 0 "[ . 1 . 2]"
1 193 GLY 0.161 0.100 6 0 "[ . 1 . 2]"
1 195 ILE 0.082 0.050 1 0 "[ . 1 . 2]"
1 197 GLY 1.246 0.237 4 0 "[ . 1 . 2]"
1 199 GLY 0.180 0.087 12 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 1 132 LYS H 1 199 GLY H 3.000 2.500 3.500 3.351 3.016 3.587 0.087 12 0 "[ . 1 . 2]" 5
2 1 134 TYR H 1 197 GLY H 3.000 2.500 3.500 3.498 3.086 3.737 0.237 4 0 "[ . 1 . 2]" 5
3 1 136 GLY H 1 195 ILE H 3.000 2.500 3.500 3.279 2.808 3.550 0.050 1 0 "[ . 1 . 2]" 5
4 1 138 ARG H 1 193 GLY H 3.000 2.500 3.500 3.203 2.966 3.600 0.100 6 0 "[ . 1 . 2]" 5
5 1 140 ALA H 1 191 GLY H 3.000 2.500 3.500 3.453 2.752 3.747 0.247 19 0 "[ . 1 . 2]" 5
stop_
save_
save_distance_constraint_statistics_6
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 6
_Distance_constraint_stats_list.Constraint_count 71
_Distance_constraint_stats_list.Viol_count 129
_Distance_constraint_stats_list.Viol_total 499.604
_Distance_constraint_stats_list.Viol_max 0.528
_Distance_constraint_stats_list.Viol_rms 0.0709
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0176
_Distance_constraint_stats_list.Viol_average_violations_only 0.1936
_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 6 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 PHE 0.289 0.090 16 0 "[ . 1 . 2]"
1 63 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 TRP 0.289 0.090 16 0 "[ . 1 . 2]"
1 66 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 SER 0.481 0.200 14 0 "[ . 1 . 2]"
1 121 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 ILE 0.481 0.200 14 0 "[ . 1 . 2]"
1 123 TYR 3.310 0.315 15 0 "[ . 1 . 2]"
1 124 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 PHE 10.606 0.473 6 0 "[ . 1 . 2]"
1 126 GLN 0.024 0.024 17 0 "[ . 1 . 2]"
1 127 ILE 0.024 0.024 17 0 "[ . 1 . 2]"
1 128 ASN 0.083 0.063 10 0 "[ . 1 . 2]"
1 129 ASP 0.003 0.003 17 0 "[ . 1 . 2]"
1 130 LYS 0.083 0.063 10 0 "[ . 1 . 2]"
1 131 PHE 0.003 0.003 17 0 "[ . 1 . 2]"
1 132 LYS 7.296 0.473 6 0 "[ . 1 . 2]"
1 134 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 135 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 136 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 137 ALA 1.913 0.233 5 0 "[ . 1 . 2]"
1 138 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 139 VAL 1.913 0.233 5 0 "[ . 1 . 2]"
1 140 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 190 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 191 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 192 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 193 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 194 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 195 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 196 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 197 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 198 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 199 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 200 PHE 0.919 0.137 9 0 "[ . 1 . 2]"
1 201 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 202 ILE 10.739 0.528 19 2 "[ . - . +2]"
1 203 THR 2.937 0.424 17 0 "[ . 1 . 2]"
1 205 LYS 7.054 0.528 19 2 "[ . - . +2]"
1 206 LEU 0.172 0.136 8 0 "[ . 1 . 2]"
1 207 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 208 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 209 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 210 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 211 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 212 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 231 SER 0.669 0.156 20 0 "[ . 1 . 2]"
1 233 GLY 0.669 0.156 20 0 "[ . 1 . 2]"
1 234 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 235 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 236 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 237 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 238 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 GLY H 1 7 ARG H 3.500 . 5.000 3.315 2.266 4.554 . 0 0 "[ . 1 . 2]" 6
2 1 7 ARG H 1 8 GLY H 3.500 . 5.000 4.549 4.238 4.707 . 0 0 "[ . 1 . 2]" 6
3 1 11 VAL H 1 12 GLN H 4.000 . 6.500 4.452 4.299 4.576 . 0 0 "[ . 1 . 2]" 6
4 1 12 GLN H 1 13 ALA H 3.500 . 5.000 4.398 4.275 4.502 . 0 0 "[ . 1 . 2]" 6
5 1 13 ALA H 1 14 ASP H 3.500 . 5.000 4.284 3.897 4.429 . 0 0 "[ . 1 . 2]" 6
6 1 58 VAL H 1 59 GLY H 3.500 . 5.000 4.446 4.373 4.509 . 0 0 "[ . 1 . 2]" 6
7 1 59 GLY H 1 60 TYR H 3.500 . 5.000 4.350 4.101 4.450 . 0 0 "[ . 1 . 2]" 6
8 1 60 TYR H 1 61 ASP H 3.500 . 5.000 4.483 4.422 4.570 . 0 0 "[ . 1 . 2]" 6
9 1 61 ASP H 1 62 PHE H 3.500 . 5.000 4.306 4.114 4.456 . 0 0 "[ . 1 . 2]" 6
10 1 62 PHE H 1 65 TRP H 3.500 . 5.000 4.496 3.220 5.090 0.090 16 0 "[ . 1 . 2]" 6
11 1 62 PHE H 1 63 GLY H 3.500 . 5.000 4.282 3.961 4.464 . 0 0 "[ . 1 . 2]" 6
12 1 63 GLY H 1 64 GLY H 3.500 . 5.000 4.406 4.046 4.644 . 0 0 "[ . 1 . 2]" 6
13 1 64 GLY H 1 65 TRP H 3.500 . 5.000 3.220 2.224 3.881 . 0 0 "[ . 1 . 2]" 6
14 1 65 TRP H 1 66 ARG H 3.500 . 5.000 4.325 3.339 4.577 . 0 0 "[ . 1 . 2]" 6
15 1 66 ARG H 1 67 ILE H 4.000 . 6.500 4.392 4.212 4.505 . 0 0 "[ . 1 . 2]" 6
16 1 67 ILE H 1 68 ALA H 3.500 . 5.000 4.403 4.223 4.541 . 0 0 "[ . 1 . 2]" 6
17 1 68 ALA H 1 69 ALA H 3.500 . 5.000 4.268 4.042 4.402 . 0 0 "[ . 1 . 2]" 6
18 1 70 ASP H 1 71 TYR H 3.500 . 5.000 4.421 4.247 4.502 . 0 0 "[ . 1 . 2]" 6
19 1 118 GLY H 1 119 LEU H 3.500 . 5.000 4.260 3.783 4.549 . 0 0 "[ . 1 . 2]" 6
20 1 120 SER H 1 121 ALA H 3.500 . 5.000 4.199 3.686 4.418 . 0 0 "[ . 1 . 2]" 6
21 1 120 SER H 1 122 ILE H 4.000 . 6.500 6.243 5.535 6.700 0.200 14 0 "[ . 1 . 2]" 6
22 1 121 ALA H 1 122 ILE H 3.500 . 5.000 4.421 4.292 4.521 . 0 0 "[ . 1 . 2]" 6
23 1 122 ILE H 1 123 TYR H 3.500 . 5.000 4.472 3.966 4.594 . 0 0 "[ . 1 . 2]" 6
24 1 123 TYR H 1 124 ASP H 3.500 . 5.000 4.185 3.831 4.554 . 0 0 "[ . 1 . 2]" 6
25 1 123 TYR H 1 125 PHE H 4.000 . 6.500 6.658 6.374 6.815 0.315 15 0 "[ . 1 . 2]" 6
26 1 124 ASP H 1 125 PHE H 3.500 . 5.000 4.385 4.120 4.551 . 0 0 "[ . 1 . 2]" 6
27 1 125 PHE H 1 126 GLN H 3.500 . 5.000 4.192 3.685 4.584 . 0 0 "[ . 1 . 2]" 6
28 1 125 PHE H 1 132 LYS H 3.500 . 5.000 5.365 5.243 5.473 0.473 6 0 "[ . 1 . 2]" 6
29 1 126 GLN H 1 127 ILE H 3.500 . 5.000 2.980 1.976 4.621 0.024 17 0 "[ . 1 . 2]" 6
30 1 128 ASN H 1 129 ASP H 3.500 . 5.000 3.202 2.063 4.585 . 0 0 "[ . 1 . 2]" 6
31 1 128 ASN H 1 130 LYS H 4.000 . 6.500 5.687 3.691 6.563 0.063 10 0 "[ . 1 . 2]" 6
32 1 128 ASN H 1 131 PHE H 4.000 . 6.500 5.420 4.343 6.227 . 0 0 "[ . 1 . 2]" 6
33 1 129 ASP H 1 131 PHE H 3.500 . 5.000 4.104 2.659 5.003 0.003 17 0 "[ . 1 . 2]" 6
34 1 130 LYS H 1 131 PHE H 3.500 . 5.000 2.402 2.021 2.861 . 0 0 "[ . 1 . 2]" 6
35 1 131 PHE H 1 132 LYS H 4.000 . 6.500 4.240 3.985 4.475 . 0 0 "[ . 1 . 2]" 6
36 1 134 TYR H 1 135 ILE H 3.500 . 5.000 4.457 4.301 4.550 . 0 0 "[ . 1 . 2]" 6
37 1 135 ILE H 1 136 GLY H 3.500 . 5.000 4.387 4.297 4.466 . 0 0 "[ . 1 . 2]" 6
38 1 136 GLY H 1 137 ALA H 3.500 . 5.000 4.385 4.228 4.437 . 0 0 "[ . 1 . 2]" 6
39 1 137 ALA H 1 138 ARG H 3.500 . 5.000 4.434 4.307 4.517 . 0 0 "[ . 1 . 2]" 6
40 1 137 ALA H 1 139 VAL H 4.000 . 6.500 6.589 6.376 6.733 0.233 5 0 "[ . 1 . 2]" 6
41 1 138 ARG H 1 139 VAL H 3.500 . 5.000 4.363 4.225 4.529 . 0 0 "[ . 1 . 2]" 6
42 1 139 VAL H 1 140 ALA H 3.500 . 5.000 4.239 3.974 4.481 . 0 0 "[ . 1 . 2]" 6
43 1 190 VAL H 1 191 GLY H 4.000 . 6.500 4.449 4.115 4.680 . 0 0 "[ . 1 . 2]" 6
44 1 191 GLY H 1 192 LEU H 3.500 . 5.000 4.365 3.973 4.489 . 0 0 "[ . 1 . 2]" 6
45 1 192 LEU H 1 193 GLY H 3.500 . 5.000 4.319 4.150 4.514 . 0 0 "[ . 1 . 2]" 6
46 1 193 GLY H 1 194 VAL H 3.500 . 5.000 4.320 4.093 4.427 . 0 0 "[ . 1 . 2]" 6
47 1 194 VAL H 1 195 ILE H 3.500 . 5.000 4.405 4.309 4.474 . 0 0 "[ . 1 . 2]" 6
48 1 195 ILE H 1 196 ALA H 3.500 . 5.000 4.436 4.298 4.504 . 0 0 "[ . 1 . 2]" 6
49 1 196 ALA H 1 197 GLY H 3.500 . 5.000 4.380 4.246 4.458 . 0 0 "[ . 1 . 2]" 6
50 1 197 GLY H 1 198 VAL H 3.500 . 5.000 4.341 4.151 4.418 . 0 0 "[ . 1 . 2]" 6
51 1 198 VAL H 1 199 GLY H 3.500 . 5.000 4.373 4.283 4.488 . 0 0 "[ . 1 . 2]" 6
52 1 199 GLY H 1 200 PHE H 3.500 . 5.000 4.412 4.256 4.500 . 0 0 "[ . 1 . 2]" 6
53 1 200 PHE H 1 201 ASP H 3.500 . 5.000 4.146 3.866 4.386 . 0 0 "[ . 1 . 2]" 6
54 1 200 PHE H 1 202 ILE H 4.000 . 6.500 6.495 6.116 6.637 0.137 9 0 "[ . 1 . 2]" 6
55 1 201 ASP H 1 202 ILE H 4.000 . 6.500 4.579 4.455 4.640 . 0 0 "[ . 1 . 2]" 6
56 1 202 ILE H 1 203 THR H 3.500 . 5.000 1.934 1.576 2.572 0.424 17 0 "[ . 1 . 2]" 6
57 1 202 ILE H 1 205 LYS H 3.500 . 5.000 5.287 4.368 5.528 0.528 19 2 "[ . - . +2]" 6
58 1 203 THR H 1 205 LYS H 4.000 . 6.500 4.397 3.126 5.156 . 0 0 "[ . 1 . 2]" 6
59 1 203 THR H 1 206 LEU H 4.000 . 6.500 3.091 2.747 3.351 . 0 0 "[ . 1 . 2]" 6
60 1 205 LYS H 1 206 LEU H 3.500 . 5.000 2.413 1.864 2.801 0.136 8 0 "[ . 1 . 2]" 6
61 1 206 LEU H 1 207 THR H 3.500 . 5.000 4.337 4.099 4.598 . 0 0 "[ . 1 . 2]" 6
62 1 207 THR H 1 208 LEU H 3.500 . 5.000 4.426 4.290 4.541 . 0 0 "[ . 1 . 2]" 6
63 1 208 LEU H 1 209 ASP H 3.500 . 5.000 4.409 4.058 4.568 . 0 0 "[ . 1 . 2]" 6
64 1 210 ALA H 1 211 GLY H 3.500 . 5.000 4.316 4.045 4.561 . 0 0 "[ . 1 . 2]" 6
65 1 211 GLY H 1 212 TYR H 3.500 . 5.000 4.378 3.863 4.541 . 0 0 "[ . 1 . 2]" 6
66 1 231 SER H 1 233 GLY H 4.000 . 6.500 6.263 4.655 6.656 0.156 20 0 "[ . 1 . 2]" 6
67 1 233 GLY H 1 234 VAL H 3.500 . 5.000 4.421 4.265 4.548 . 0 0 "[ . 1 . 2]" 6
68 1 234 VAL H 1 235 ARG H 3.500 . 5.000 4.340 4.277 4.423 . 0 0 "[ . 1 . 2]" 6
69 1 235 ARG H 1 236 TYR H 3.500 . 5.000 4.398 4.145 4.520 . 0 0 "[ . 1 . 2]" 6
70 1 236 TYR H 1 237 ARG H 3.500 . 5.000 4.256 3.940 4.488 . 0 0 "[ . 1 . 2]" 6
71 1 237 ARG H 1 238 PHE H 3.500 . 5.000 4.121 3.637 4.373 . 0 0 "[ . 1 . 2]" 6
stop_
save_
save_distance_constraint_statistics_7
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 7
_Distance_constraint_stats_list.Constraint_count 31
_Distance_constraint_stats_list.Viol_count 45
_Distance_constraint_stats_list.Viol_total 91.597
_Distance_constraint_stats_list.Viol_max 0.236
_Distance_constraint_stats_list.Viol_rms 0.0318
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0074
_Distance_constraint_stats_list.Viol_average_violations_only 0.1018
_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 8 GLY 0.161 0.105 6 0 "[ . 1 . 2]"
1 10 TYR 0.223 0.215 17 0 "[ . 1 . 2]"
1 11 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 TYR 0.278 0.165 12 0 "[ . 1 . 2]"
1 61 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 PHE 0.985 0.228 10 0 "[ . 1 . 2]"
1 63 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 GLY 1.050 0.228 10 0 "[ . 1 . 2]"
1 65 TRP 0.342 0.180 3 0 "[ . 1 . 2]"
1 66 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 ASN 1.203 0.170 7 0 "[ . 1 . 2]"
1 129 ASP 0.236 0.236 14 0 "[ . 1 . 2]"
1 130 LYS 0.377 0.149 18 0 "[ . 1 . 2]"
1 131 PHE 2.254 0.236 14 0 "[ . 1 . 2]"
1 132 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 134 TYR 0.238 0.198 12 0 "[ . 1 . 2]"
1 135 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 196 ALA 0.238 0.198 12 0 "[ . 1 . 2]"
1 197 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 200 PHE 1.192 0.234 5 0 "[ . 1 . 2]"
1 201 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 208 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 236 TYR 0.223 0.215 17 0 "[ . 1 . 2]"
1 237 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 238 PHE 0.161 0.105 6 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 10 TYR H 1 10 TYR QD 4.000 . 6.500 3.317 1.817 4.471 . 0 0 "[ . 1 . 2]" 7
2 1 10 TYR QD 1 11 VAL H 4.000 . 6.500 3.247 2.151 4.226 . 0 0 "[ . 1 . 2]" 7
3 1 10 TYR QD 1 59 GLY H 4.000 . 6.500 4.254 2.752 6.363 . 0 0 "[ . 1 . 2]" 7
4 1 59 GLY H 1 60 TYR QD 4.000 . 6.500 5.409 4.946 6.231 . 0 0 "[ . 1 . 2]" 7
5 1 60 TYR QD 1 61 ASP H 4.000 . 6.500 3.793 2.356 4.204 . 0 0 "[ . 1 . 2]" 7
6 1 60 TYR H 1 62 PHE QD 4.000 . 6.500 5.606 4.603 6.665 0.165 12 0 "[ . 1 . 2]" 7
7 1 61 ASP H 1 62 PHE QD 4.000 . 6.500 4.461 3.986 5.024 . 0 0 "[ . 1 . 2]" 7
8 1 62 PHE QD 1 63 GLY H 4.000 . 6.500 4.119 3.188 4.940 . 0 0 "[ . 1 . 2]" 7
9 1 62 PHE QD 1 64 GLY H 4.000 . 6.500 6.148 4.576 6.728 0.228 10 0 "[ . 1 . 2]" 7
10 1 64 GLY H 1 65 TRP HD1 4.000 . 6.500 5.451 4.281 6.680 0.180 3 0 "[ . 1 . 2]" 7
11 1 65 TRP HD1 1 66 ARG H 4.000 . 6.500 4.720 1.794 6.055 . 0 0 "[ . 1 . 2]" 7
12 1 65 TRP HD1 1 124 ASP H 4.000 . 6.500 5.518 3.331 6.469 . 0 0 "[ . 1 . 2]" 7
13 1 124 ASP H 1 125 PHE QD 4.000 . 6.500 5.166 3.389 6.473 . 0 0 "[ . 1 . 2]" 7
14 1 125 PHE QD 1 126 GLN H 4.000 . 6.500 4.048 2.335 4.855 . 0 0 "[ . 1 . 2]" 7
15 1 128 ASN H 1 131 PHE QD 4.000 . 6.500 6.362 4.613 6.670 0.170 7 0 "[ . 1 . 2]" 7
16 1 129 ASP H 1 131 PHE QD 4.000 . 6.500 5.294 3.658 6.736 0.236 14 0 "[ . 1 . 2]" 7
17 1 130 LYS H 1 131 PHE QD 4.000 . 6.500 3.258 2.002 4.721 . 0 0 "[ . 1 . 2]" 7
18 1 131 PHE QD 1 132 LYS H 4.000 . 6.500 4.317 3.642 4.993 . 0 0 "[ . 1 . 2]" 7
19 1 131 PHE QD 1 200 PHE H 4.000 . 6.500 6.211 5.249 6.734 0.234 5 0 "[ . 1 . 2]" 7
20 1 134 TYR QD 1 135 ILE H 4.000 . 6.500 3.704 1.946 4.408 . 0 0 "[ . 1 . 2]" 7
21 1 134 TYR QD 1 196 ALA H 4.000 . 6.500 5.374 4.129 6.698 0.198 12 0 "[ . 1 . 2]" 7
22 1 134 TYR QD 1 197 GLY H 4.000 . 6.500 3.811 2.853 5.325 . 0 0 "[ . 1 . 2]" 7
23 1 130 LYS H 1 200 PHE QD 4.000 . 6.500 5.987 4.624 6.649 0.149 18 0 "[ . 1 . 2]" 7
24 1 131 PHE H 1 200 PHE QD 4.000 . 6.500 5.186 4.298 6.554 0.054 2 0 "[ . 1 . 2]" 7
25 1 132 LYS H 1 200 PHE QD 4.000 . 6.500 5.939 5.331 6.368 . 0 0 "[ . 1 . 2]" 7
26 1 200 PHE QD 1 201 ASP H 4.000 . 6.500 3.469 2.193 4.766 . 0 0 "[ . 1 . 2]" 7
27 1 200 PHE QD 1 208 LEU H 4.000 . 6.500 4.743 3.553 5.513 . 0 0 "[ . 1 . 2]" 7
28 1 10 TYR H 1 236 TYR QD 4.000 . 6.500 5.761 4.628 6.715 0.215 17 0 "[ . 1 . 2]" 7
29 1 11 VAL H 1 236 TYR QD 4.000 . 6.500 3.183 1.867 3.866 . 0 0 "[ . 1 . 2]" 7
30 1 236 TYR QD 1 237 ARG H 4.000 . 6.500 3.903 3.368 4.335 . 0 0 "[ . 1 . 2]" 7
31 1 8 GLY H 1 238 PHE QD 4.000 . 6.500 5.993 4.959 6.605 0.105 6 0 "[ . 1 . 2]" 7
stop_
save_
save_distance_constraint_statistics_8
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 8
_Distance_constraint_stats_list.Constraint_count 3
_Distance_constraint_stats_list.Viol_count 13
_Distance_constraint_stats_list.Viol_total 42.060
_Distance_constraint_stats_list.Viol_max 0.369
_Distance_constraint_stats_list.Viol_rms 0.0812
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0351
_Distance_constraint_stats_list.Viol_average_violations_only 0.1618
_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 10 TYR 1.932 0.369 5 0 "[ . 1 . 2]"
1 11 VAL 0.171 0.171 20 0 "[ . 1 . 2]"
1 13 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 234 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 236 TYR 0.171 0.171 20 0 "[ . 1 . 2]"
1 238 PHE 1.932 0.369 5 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 10 TYR H 1 238 PHE H 4.000 . 6.500 6.490 5.902 6.869 0.369 5 0 "[ . 1 . 2]" 8
2 1 11 VAL H 1 236 TYR H 3.000 2.500 3.500 3.192 2.764 3.671 0.171 20 0 "[ . 1 . 2]" 8
3 1 13 ALA H 1 234 VAL H 3.500 . 5.000 3.512 2.602 4.151 . 0 0 "[ . 1 . 2]" 8
stop_
save_
save_distance_constraint_statistics_9
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 9
_Distance_constraint_stats_list.Constraint_count 4
_Distance_constraint_stats_list.Viol_count 9
_Distance_constraint_stats_list.Viol_total 11.337
_Distance_constraint_stats_list.Viol_max 0.116
_Distance_constraint_stats_list.Viol_rms 0.0230
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0071
_Distance_constraint_stats_list.Viol_average_violations_only 0.0630
_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 57 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 VAL 0.159 0.072 12 0 "[ . 1 . 2]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 TYR 0.408 0.116 14 0 "[ . 1 . 2]"
1 67 ILE 0.408 0.116 14 0 "[ . 1 . 2]"
1 69 ALA 0.159 0.072 12 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 57 SER H 1 58 VAL H 3.500 . 5.000 4.356 4.247 4.486 . 0 0 "[ . 1 . 2]" 9
2 1 58 VAL H 1 69 ALA H 3.000 2.500 3.500 3.277 2.956 3.572 0.072 12 0 "[ . 1 . 2]" 9
3 1 59 GLY H 1 69 ALA H 4.000 . 6.500 5.284 4.887 5.599 . 0 0 "[ . 1 . 2]" 9
4 1 60 TYR H 1 67 ILE H 3.000 2.500 3.500 3.287 2.717 3.616 0.116 14 0 "[ . 1 . 2]" 9
stop_
save_
save_distance_constraint_statistics_10
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 10
_Distance_constraint_stats_list.Constraint_count 3
_Distance_constraint_stats_list.Viol_count 15
_Distance_constraint_stats_list.Viol_total 44.879
_Distance_constraint_stats_list.Viol_max 0.266
_Distance_constraint_stats_list.Viol_rms 0.0755
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0374
_Distance_constraint_stats_list.Viol_average_violations_only 0.1496
_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
1 119 LEU 2.244 0.266 3 0 "[ . 1 . 2]"
1 121 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 135 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 137 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 139 VAL 2.244 0.266 3 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 1 119 LEU H 1 139 VAL H 3.000 2.500 3.500 3.561 3.126 3.766 0.266 3 0 "[ . 1 . 2]" 10
2 1 121 ALA H 1 137 ALA H 3.000 2.500 3.500 2.982 2.581 3.448 . 0 0 "[ . 1 . 2]" 10
3 1 123 TYR H 1 135 ILE H 3.500 . 5.000 2.664 2.101 3.182 . 0 0 "[ . 1 . 2]" 10
stop_
save_
save_distance_constraint_statistics_11
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 11
_Distance_constraint_stats_list.Constraint_count 12
_Distance_constraint_stats_list.Viol_count 113
_Distance_constraint_stats_list.Viol_total 226.291
_Distance_constraint_stats_list.Viol_max 0.264
_Distance_constraint_stats_list.Viol_rms 0.0663
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0471
_Distance_constraint_stats_list.Viol_average_violations_only 0.1001
_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 56 VAL 4.608 0.207 9 0 "[ . 1 . 2]"
1 58 VAL 1.166 0.146 7 0 "[ . 1 . 2]"
1 60 TYR 5.541 0.264 7 0 "[ . 1 . 2]"
1 67 ILE 5.541 0.264 7 0 "[ . 1 . 2]"
1 69 ALA 1.166 0.146 7 0 "[ . 1 . 2]"
1 71 TYR 4.608 0.207 9 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 56 VAL O 1 71 TYR N 3.000 2.500 3.500 3.281 2.857 3.457 . 0 0 "[ . 1 . 2]" 11
2 1 56 VAL O 1 71 TYR H 2.000 . 2.500 2.372 1.915 2.613 0.113 18 0 "[ . 1 . 2]" 11
3 1 56 VAL N 1 71 TYR O 3.000 2.500 3.500 3.583 3.474 3.662 0.162 12 0 "[ . 1 . 2]" 11
4 1 56 VAL H 1 71 TYR O 2.000 . 2.500 2.633 2.581 2.707 0.207 9 0 "[ . 1 . 2]" 11
5 1 58 VAL O 1 69 ALA N 3.000 2.500 3.500 3.135 2.807 3.362 . 0 0 "[ . 1 . 2]" 11
6 1 58 VAL O 1 69 ALA H 2.000 . 2.500 2.260 1.905 2.522 0.022 14 0 "[ . 1 . 2]" 11
7 1 58 VAL N 1 69 ALA O 3.000 2.500 3.500 3.385 3.025 3.568 0.068 7 0 "[ . 1 . 2]" 11
8 1 58 VAL H 1 69 ALA O 2.000 . 2.500 2.494 2.105 2.646 0.146 7 0 "[ . 1 . 2]" 11
9 1 60 TYR O 1 67 ILE N 3.000 2.500 3.500 3.574 3.364 3.732 0.232 19 0 "[ . 1 . 2]" 11
10 1 60 TYR O 1 67 ILE H 2.000 . 2.500 2.642 2.524 2.764 0.264 7 0 "[ . 1 . 2]" 11
11 1 60 TYR N 1 67 ILE O 3.000 2.500 3.500 3.329 3.133 3.501 0.001 3 0 "[ . 1 . 2]" 11
12 1 60 TYR H 1 67 ILE O 2.000 . 2.500 2.514 2.285 2.677 0.177 6 0 "[ . 1 . 2]" 11
stop_
save_
save_distance_constraint_statistics_12
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 12
_Distance_constraint_stats_list.Constraint_count 14
_Distance_constraint_stats_list.Viol_count 74
_Distance_constraint_stats_list.Viol_total 159.091
_Distance_constraint_stats_list.Viol_max 0.437
_Distance_constraint_stats_list.Viol_rms 0.0602
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0284
_Distance_constraint_stats_list.Viol_average_violations_only 0.1075
_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 64 GLY 3.450 0.437 9 0 "[ . 1 . 2]"
1 66 ARG 0.271 0.106 4 0 "[ . 1 . 2]"
1 68 ALA 0.453 0.096 13 0 "[ . 1 . 2]"
1 70 ASP 3.780 0.205 9 0 "[ . 1 . 2]"
1 118 GLY 3.780 0.205 9 0 "[ . 1 . 2]"
1 120 SER 0.453 0.096 13 0 "[ . 1 . 2]"
1 122 ILE 0.271 0.106 4 0 "[ . 1 . 2]"
1 124 ASP 3.450 0.437 9 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 64 GLY N 1 124 ASP O 3.000 2.500 3.500 3.308 2.988 3.534 0.034 17 0 "[ . 1 . 2]" 12
2 1 64 GLY H 1 124 ASP O 2.000 . 2.500 2.670 2.581 2.937 0.437 9 0 "[ . 1 . 2]" 12
3 1 66 ARG O 1 122 ILE N 3.000 2.500 3.500 3.106 2.771 3.412 . 0 0 "[ . 1 . 2]" 12
4 1 66 ARG O 1 122 ILE H 2.000 . 2.500 2.239 1.835 2.600 0.100 12 0 "[ . 1 . 2]" 12
5 1 66 ARG N 1 122 ILE O 3.000 2.500 3.500 2.973 2.607 3.477 . 0 0 "[ . 1 . 2]" 12
6 1 66 ARG H 1 122 ILE O 2.000 . 2.500 2.130 1.715 2.606 0.106 4 0 "[ . 1 . 2]" 12
7 1 68 ALA O 1 120 SER N 3.000 2.500 3.500 3.100 2.736 3.417 . 0 0 "[ . 1 . 2]" 12
8 1 68 ALA O 1 120 SER H 2.000 . 2.500 2.223 1.880 2.547 0.047 14 0 "[ . 1 . 2]" 12
9 1 68 ALA N 1 120 SER O 3.000 2.500 3.500 3.268 2.935 3.568 0.068 13 0 "[ . 1 . 2]" 12
10 1 68 ALA H 1 120 SER O 2.000 . 2.500 2.395 2.173 2.596 0.096 13 0 "[ . 1 . 2]" 12
11 1 70 ASP O 1 118 GLY N 3.000 2.500 3.500 3.502 3.301 3.662 0.162 9 0 "[ . 1 . 2]" 12
12 1 70 ASP O 1 118 GLY H 2.000 . 2.500 2.615 2.328 2.705 0.205 9 0 "[ . 1 . 2]" 12
13 1 70 ASP N 1 118 GLY O 3.000 2.500 3.500 3.163 2.642 3.571 0.071 16 0 "[ . 1 . 2]" 12
14 1 70 ASP H 1 118 GLY O 2.000 . 2.500 2.270 1.679 2.605 0.105 16 0 "[ . 1 . 2]" 12
stop_
save_
save_distance_constraint_statistics_13
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 13
_Distance_constraint_stats_list.Constraint_count 16
_Distance_constraint_stats_list.Viol_count 117
_Distance_constraint_stats_list.Viol_total 193.422
_Distance_constraint_stats_list.Viol_max 0.260
_Distance_constraint_stats_list.Viol_rms 0.0528
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0302
_Distance_constraint_stats_list.Viol_average_violations_only 0.0827
_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
1 117 LEU 2.273 0.146 3 0 "[ . 1 . 2]"
1 119 LEU 1.549 0.158 9 0 "[ . 1 . 2]"
1 121 ALA 1.688 0.201 7 0 "[ . 1 . 2]"
1 123 TYR 4.161 0.260 15 0 "[ . 1 . 2]"
1 135 ILE 4.161 0.260 15 0 "[ . 1 . 2]"
1 137 ALA 1.688 0.201 7 0 "[ . 1 . 2]"
1 139 VAL 1.549 0.158 9 0 "[ . 1 . 2]"
1 141 TYR 2.273 0.146 3 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 1 117 LEU O 1 141 TYR N 3.000 2.500 3.500 3.200 2.833 3.563 0.063 17 0 "[ . 1 . 2]" 13
2 1 117 LEU O 1 141 TYR H 2.000 . 2.500 2.274 1.908 2.634 0.134 17 0 "[ . 1 . 2]" 13
3 1 117 LEU N 1 141 TYR O 3.000 2.500 3.500 3.344 2.557 3.566 0.066 12 0 "[ . 1 . 2]" 13
4 1 117 LEU H 1 141 TYR O 2.000 . 2.500 2.484 1.777 2.646 0.146 3 0 "[ . 1 . 2]" 13
5 1 119 LEU O 1 139 VAL N 3.000 2.500 3.500 3.331 2.914 3.564 0.064 17 0 "[ . 1 . 2]" 13
6 1 119 LEU O 1 139 VAL H 2.000 . 2.500 2.402 1.980 2.615 0.115 17 0 "[ . 1 . 2]" 13
7 1 119 LEU N 1 139 VAL O 3.000 2.500 3.500 3.352 3.085 3.596 0.096 9 0 "[ . 1 . 2]" 13
8 1 119 LEU H 1 139 VAL O 2.000 . 2.500 2.457 2.110 2.658 0.158 9 0 "[ . 1 . 2]" 13
9 1 121 ALA O 1 137 ALA N 3.000 2.500 3.500 3.240 2.924 3.516 0.016 7 0 "[ . 1 . 2]" 13
10 1 121 ALA O 1 137 ALA H 2.000 . 2.500 2.443 2.095 2.701 0.201 7 0 "[ . 1 . 2]" 13
11 1 121 ALA N 1 137 ALA O 3.000 2.500 3.500 3.339 2.965 3.540 0.040 14 0 "[ . 1 . 2]" 13
12 1 121 ALA H 1 137 ALA O 2.000 . 2.500 2.495 2.104 2.628 0.128 14 0 "[ . 1 . 2]" 13
13 1 123 TYR O 1 135 ILE N 3.000 2.500 3.500 3.545 3.443 3.621 0.121 15 0 "[ . 1 . 2]" 13
14 1 123 TYR O 1 135 ILE H 2.000 . 2.500 2.659 2.560 2.760 0.260 15 0 "[ . 1 . 2]" 13
15 1 123 TYR N 1 135 ILE O 3.000 2.500 3.500 2.843 2.560 3.161 . 0 0 "[ . 1 . 2]" 13
16 1 123 TYR H 1 135 ILE O 2.000 . 2.500 2.074 1.784 2.407 . 0 0 "[ . 1 . 2]" 13
stop_
save_
save_distance_constraint_statistics_14
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 14
_Distance_constraint_stats_list.Constraint_count 12
_Distance_constraint_stats_list.Viol_count 76
_Distance_constraint_stats_list.Viol_total 143.905
_Distance_constraint_stats_list.Viol_max 0.251
_Distance_constraint_stats_list.Viol_rms 0.0544
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0300
_Distance_constraint_stats_list.Viol_average_violations_only 0.0947
_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 8 GLY 2.847 0.251 6 0 "[ . 1 . 2]"
1 10 TYR 1.310 0.158 5 0 "[ . 1 . 2]"
1 12 GLN 3.038 0.207 7 0 "[ . 1 . 2]"
1 57 SER 3.038 0.207 7 0 "[ . 1 . 2]"
1 59 GLY 1.310 0.158 5 0 "[ . 1 . 2]"
1 61 ASP 2.847 0.251 6 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 8 GLY O 1 61 ASP N 3.000 2.500 3.500 2.912 2.608 3.406 . 0 0 "[ . 1 . 2]" 14
2 1 8 GLY O 1 61 ASP H 2.000 . 2.500 2.025 1.686 2.543 0.043 6 0 "[ . 1 . 2]" 14
3 1 8 GLY N 1 61 ASP O 3.000 2.500 3.500 3.404 2.806 3.594 0.094 19 0 "[ . 1 . 2]" 14
4 1 8 GLY H 1 61 ASP O 2.000 . 2.500 2.611 2.418 2.751 0.251 6 0 "[ . 1 . 2]" 14
5 1 10 TYR O 1 59 GLY N 3.000 2.500 3.500 3.329 2.836 3.598 0.098 5 0 "[ . 1 . 2]" 14
6 1 10 TYR O 1 59 GLY H 2.000 . 2.500 2.371 1.921 2.633 0.133 5 0 "[ . 1 . 2]" 14
7 1 10 TYR N 1 59 GLY O 3.000 2.500 3.500 3.151 2.890 3.548 0.048 5 0 "[ . 1 . 2]" 14
8 1 10 TYR H 1 59 GLY O 2.000 . 2.500 2.368 2.008 2.658 0.158 5 0 "[ . 1 . 2]" 14
9 1 12 GLN O 1 57 SER N 3.000 2.500 3.500 3.498 3.322 3.695 0.195 7 0 "[ . 1 . 2]" 14
10 1 12 GLN O 1 57 SER H 2.000 . 2.500 2.590 2.372 2.707 0.207 7 0 "[ . 1 . 2]" 14
11 1 12 GLN N 1 57 SER O 3.000 2.500 3.500 3.025 2.773 3.324 . 0 0 "[ . 1 . 2]" 14
12 1 12 GLN H 1 57 SER O 2.000 . 2.500 2.176 1.854 2.514 0.014 3 0 "[ . 1 . 2]" 14
stop_
save_
save_distance_constraint_statistics_15
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 15
_Distance_constraint_stats_list.Constraint_count 8
_Distance_constraint_stats_list.Viol_count 57
_Distance_constraint_stats_list.Viol_total 99.419
_Distance_constraint_stats_list.Viol_max 0.334
_Distance_constraint_stats_list.Viol_rms 0.0601
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0311
_Distance_constraint_stats_list.Viol_average_violations_only 0.0872
_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 11 VAL 3.771 0.334 8 0 "[ . 1 . 2]"
1 13 ALA 1.200 0.180 7 0 "[ . 1 . 2]"
1 234 VAL 1.200 0.180 7 0 "[ . 1 . 2]"
1 236 TYR 3.771 0.334 8 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 11 VAL O 1 236 TYR N 3.000 2.500 3.500 3.200 2.696 3.515 0.015 9 0 "[ . 1 . 2]" 15
2 1 11 VAL O 1 236 TYR H 2.000 . 2.500 2.252 1.735 2.576 0.076 7 0 "[ . 1 . 2]" 15
3 1 11 VAL N 1 236 TYR O 3.000 2.500 3.500 3.522 3.283 3.713 0.213 2 0 "[ . 1 . 2]" 15
4 1 11 VAL H 1 236 TYR O 2.000 . 2.500 2.606 2.343 2.834 0.334 8 0 "[ . 1 . 2]" 15
5 1 13 ALA O 1 234 VAL N 3.000 2.500 3.500 3.167 2.686 3.519 0.019 1 0 "[ . 1 . 2]" 15
6 1 13 ALA O 1 234 VAL H 2.000 . 2.500 2.256 1.863 2.538 0.038 1 0 "[ . 1 . 2]" 15
7 1 13 ALA N 1 234 VAL O 3.000 2.500 3.500 3.326 2.845 3.592 0.092 7 0 "[ . 1 . 2]" 15
8 1 13 ALA H 1 234 VAL O 2.000 . 2.500 2.442 1.910 2.680 0.180 7 0 "[ . 1 . 2]" 15
stop_
save_
save_distance_constraint_statistics_16
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 16
_Distance_constraint_stats_list.Constraint_count 22
_Distance_constraint_stats_list.Viol_count 108
_Distance_constraint_stats_list.Viol_total 187.173
_Distance_constraint_stats_list.Viol_max 0.341
_Distance_constraint_stats_list.Viol_rms 0.0493
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0213
_Distance_constraint_stats_list.Viol_average_violations_only 0.0867
_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
1 130 LYS 0.557 0.176 11 0 "[ . 1 . 2]"
1 132 LYS 5.956 0.341 14 0 "[ . 1 . 2]"
1 134 TYR 0.102 0.091 2 0 "[ . 1 . 2]"
1 136 GLY 0.534 0.125 4 0 "[ . 1 . 2]"
1 138 ARG 0.375 0.082 3 0 "[ . 1 . 2]"
1 140 ALA 1.834 0.169 20 0 "[ . 1 . 2]"
1 191 GLY 1.834 0.169 20 0 "[ . 1 . 2]"
1 193 GLY 0.375 0.082 3 0 "[ . 1 . 2]"
1 195 ILE 0.534 0.125 4 0 "[ . 1 . 2]"
1 197 GLY 0.102 0.091 2 0 "[ . 1 . 2]"
1 199 GLY 5.956 0.341 14 0 "[ . 1 . 2]"
1 201 ASP 0.557 0.176 11 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 1 130 LYS O 1 201 ASP N 3.000 2.500 3.500 3.232 2.705 3.564 0.064 14 0 "[ . 1 . 2]" 16
2 1 130 LYS O 1 201 ASP H 2.000 . 2.500 2.336 1.871 2.676 0.176 11 0 "[ . 1 . 2]" 16
3 1 132 LYS O 1 199 GLY N 3.000 2.500 3.500 3.539 3.335 3.650 0.150 17 0 "[ . 1 . 2]" 16
4 1 132 LYS O 1 199 GLY H 2.000 . 2.500 2.582 2.382 2.680 0.180 20 0 "[ . 1 . 2]" 16
5 1 132 LYS N 1 199 GLY O 3.000 2.500 3.500 3.402 3.000 3.537 0.037 3 0 "[ . 1 . 2]" 16
6 1 132 LYS H 1 199 GLY O 2.000 . 2.500 2.601 2.119 2.841 0.341 14 0 "[ . 1 . 2]" 16
7 1 134 TYR O 1 197 GLY N 3.000 2.500 3.500 3.103 2.740 3.471 . 0 0 "[ . 1 . 2]" 16
8 1 134 TYR O 1 197 GLY H 2.000 . 2.500 2.254 1.787 2.591 0.091 2 0 "[ . 1 . 2]" 16
9 1 134 TYR N 1 197 GLY O 3.000 2.500 3.500 2.752 2.555 2.921 . 0 0 "[ . 1 . 2]" 16
10 1 134 TYR H 1 197 GLY O 2.000 . 2.500 1.962 1.708 2.267 . 0 0 "[ . 1 . 2]" 16
11 1 136 GLY O 1 195 ILE N 3.000 2.500 3.500 3.296 2.833 3.558 0.058 1 0 "[ . 1 . 2]" 16
12 1 136 GLY O 1 195 ILE H 2.000 . 2.500 2.376 1.888 2.625 0.125 4 0 "[ . 1 . 2]" 16
13 1 136 GLY N 1 195 ILE O 3.000 2.500 3.500 3.052 2.670 3.254 . 0 0 "[ . 1 . 2]" 16
14 1 136 GLY H 1 195 ILE O 2.000 . 2.500 2.276 1.866 2.543 0.043 20 0 "[ . 1 . 2]" 16
15 1 138 ARG O 1 193 GLY N 3.000 2.500 3.500 3.150 2.524 3.520 0.020 4 0 "[ . 1 . 2]" 16
16 1 138 ARG O 1 193 GLY H 2.000 . 2.500 2.260 1.788 2.582 0.082 3 0 "[ . 1 . 2]" 16
17 1 138 ARG N 1 193 GLY O 3.000 2.500 3.500 2.881 2.709 3.481 . 0 0 "[ . 1 . 2]" 16
18 1 138 ARG H 1 193 GLY O 2.000 . 2.500 1.971 1.779 2.545 0.045 18 0 "[ . 1 . 2]" 16
19 1 140 ALA O 1 191 GLY N 3.000 2.500 3.500 3.478 3.137 3.605 0.105 20 0 "[ . 1 . 2]" 16
20 1 140 ALA O 1 191 GLY H 2.000 . 2.500 2.519 2.209 2.669 0.169 20 0 "[ . 1 . 2]" 16
21 1 140 ALA N 1 191 GLY O 3.000 2.500 3.500 3.081 2.656 3.398 . 0 0 "[ . 1 . 2]" 16
22 1 140 ALA H 1 191 GLY O 2.000 . 2.500 2.165 1.695 2.492 . 0 0 "[ . 1 . 2]" 16
stop_
save_
save_distance_constraint_statistics_17
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 17
_Distance_constraint_stats_list.Constraint_count 16
_Distance_constraint_stats_list.Viol_count 107
_Distance_constraint_stats_list.Viol_total 334.790
_Distance_constraint_stats_list.Viol_max 0.661
_Distance_constraint_stats_list.Viol_rms 0.1215
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0523
_Distance_constraint_stats_list.Viol_average_violations_only 0.1564
_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
1 205 LYS 11.984 0.661 4 7 "[ +* * -1 *** 2]"
1 207 THR 2.993 0.313 4 0 "[ . 1 . 2]"
1 209 ASP 0.483 0.082 13 0 "[ . 1 . 2]"
1 211 GLY 1.279 0.139 6 0 "[ . 1 . 2]"
1 231 SER 1.279 0.139 6 0 "[ . 1 . 2]"
1 233 GLY 0.483 0.082 13 0 "[ . 1 . 2]"
1 235 ARG 2.993 0.313 4 0 "[ . 1 . 2]"
1 237 ARG 11.984 0.661 4 7 "[ +* * -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 1 205 LYS O 1 237 ARG N 3.000 2.500 3.500 3.423 2.974 3.579 0.079 15 0 "[ . 1 . 2]" 17
2 1 205 LYS O 1 237 ARG H 2.000 . 2.500 2.656 2.152 2.933 0.433 15 0 "[ . 1 . 2]" 17
3 1 205 LYS N 1 237 ARG O 3.000 2.500 3.500 2.934 2.453 3.451 0.047 8 0 "[ . 1 . 2]" 17
4 1 205 LYS H 1 237 ARG O 2.000 . 2.500 2.901 2.558 3.161 0.661 4 7 "[ +* * -1 *** 2]" 17
5 1 207 THR O 1 235 ARG N 3.000 2.500 3.500 3.346 2.972 3.615 0.115 1 0 "[ . 1 . 2]" 17
6 1 207 THR O 1 235 ARG H 2.000 . 2.500 2.419 2.131 2.665 0.165 1 0 "[ . 1 . 2]" 17
7 1 207 THR N 1 235 ARG O 3.000 2.500 3.500 3.312 2.891 3.675 0.175 7 0 "[ . 1 . 2]" 17
8 1 207 THR H 1 235 ARG O 2.000 . 2.500 2.472 1.968 2.813 0.313 4 0 "[ . 1 . 2]" 17
9 1 209 ASP O 1 233 GLY N 3.000 2.500 3.500 3.116 2.589 3.560 0.060 13 0 "[ . 1 . 2]" 17
10 1 209 ASP O 1 233 GLY H 2.000 . 2.500 2.200 1.653 2.582 0.082 13 0 "[ . 1 . 2]" 17
11 1 209 ASP N 1 233 GLY O 3.000 2.500 3.500 2.932 2.588 3.318 . 0 0 "[ . 1 . 2]" 17
12 1 209 ASP H 1 233 GLY O 2.000 . 2.500 2.075 1.713 2.386 . 0 0 "[ . 1 . 2]" 17
13 1 211 GLY O 1 231 SER N 3.000 2.500 3.500 3.195 2.479 3.566 0.066 3 0 "[ . 1 . 2]" 17
14 1 211 GLY O 1 231 SER H 2.000 . 2.500 2.430 1.997 2.639 0.139 6 0 "[ . 1 . 2]" 17
15 1 211 GLY N 1 231 SER O 3.000 2.500 3.500 3.211 2.703 3.577 0.077 18 0 "[ . 1 . 2]" 17
16 1 211 GLY H 1 231 SER O 2.000 . 2.500 2.348 1.747 2.598 0.098 18 0 "[ . 1 . 2]" 17
stop_
save_
save_distance_constraint_statistics_18
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 18
_Distance_constraint_stats_list.Constraint_count 16
_Distance_constraint_stats_list.Viol_count 90
_Distance_constraint_stats_list.Viol_total 156.659
_Distance_constraint_stats_list.Viol_max 0.321
_Distance_constraint_stats_list.Viol_rms 0.0524
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0245
_Distance_constraint_stats_list.Viol_average_violations_only 0.0870
_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
1 192 LEU 1.071 0.171 14 0 "[ . 1 . 2]"
1 194 VAL 2.045 0.319 7 0 "[ . 1 . 2]"
1 196 ALA 0.061 0.055 17 0 "[ . 1 . 2]"
1 198 VAL 0.770 0.111 16 0 "[ . 1 . 2]"
1 200 PHE 3.247 0.321 4 0 "[ . 1 . 2]"
1 202 ILE 0.640 0.084 10 0 "[ . 1 . 2]"
1 206 LEU 0.640 0.084 10 0 "[ . 1 . 2]"
1 208 LEU 3.247 0.321 4 0 "[ . 1 . 2]"
1 210 ALA 0.770 0.111 16 0 "[ . 1 . 2]"
1 212 TYR 0.061 0.055 17 0 "[ . 1 . 2]"
1 214 TYR 2.045 0.319 7 0 "[ . 1 . 2]"
1 216 ASN 1.071 0.171 14 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 1 192 LEU O 1 216 ASN N 3.000 2.500 3.500 3.300 2.512 3.602 0.102 14 0 "[ . 1 . 2]" 18
2 1 192 LEU O 1 216 ASN H 2.000 . 2.500 2.486 2.242 2.671 0.171 14 0 "[ . 1 . 2]" 18
3 1 194 VAL O 1 214 TYR N 3.000 2.500 3.500 3.395 2.962 3.656 0.156 11 0 "[ . 1 . 2]" 18
4 1 194 VAL O 1 214 TYR H 2.000 . 2.500 2.511 2.017 2.819 0.319 7 0 "[ . 1 . 2]" 18
5 1 196 ALA O 1 212 TYR N 3.000 2.500 3.500 3.176 2.884 3.449 . 0 0 "[ . 1 . 2]" 18
6 1 196 ALA O 1 212 TYR H 2.000 . 2.500 2.306 1.988 2.555 0.055 17 0 "[ . 1 . 2]" 18
7 1 198 VAL O 1 210 ALA N 3.000 2.500 3.500 3.295 3.056 3.538 0.038 19 0 "[ . 1 . 2]" 18
8 1 198 VAL O 1 210 ALA H 2.000 . 2.500 2.392 2.138 2.611 0.111 16 0 "[ . 1 . 2]" 18
9 1 198 VAL N 1 210 ALA O 3.000 2.500 3.500 3.140 2.829 3.456 . 0 0 "[ . 1 . 2]" 18
10 1 198 VAL H 1 210 ALA O 2.000 . 2.500 2.288 1.929 2.599 0.099 7 0 "[ . 1 . 2]" 18
11 1 200 PHE O 1 208 LEU N 3.000 2.500 3.500 3.375 2.783 3.673 0.173 4 0 "[ . 1 . 2]" 18
12 1 200 PHE O 1 208 LEU H 2.000 . 2.500 2.461 1.810 2.821 0.321 4 0 "[ . 1 . 2]" 18
13 1 200 PHE N 1 208 LEU O 3.000 2.500 3.500 3.369 2.927 3.625 0.125 12 0 "[ . 1 . 2]" 18
14 1 200 PHE H 1 208 LEU O 2.000 . 2.500 2.477 1.981 2.762 0.262 12 0 "[ . 1 . 2]" 18
15 1 202 ILE N 1 206 LEU O 3.000 2.500 3.500 2.719 2.416 3.428 0.084 10 0 "[ . 1 . 2]" 18
16 1 202 ILE H 1 206 LEU O 2.000 . 2.500 1.830 1.455 2.502 0.045 10 0 "[ . 1 . 2]" 18
stop_
save_
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