NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
382332 |
1jgk   |
4391 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1jgk
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 12
_Distance_constraint_stats_list.Viol_count 13
_Distance_constraint_stats_list.Viol_total 4.997
_Distance_constraint_stats_list.Viol_max 0.067
_Distance_constraint_stats_list.Viol_rms 0.0061
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0202
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 LYS 0.012 0.012 4 0 "[ . 1 . ]"
1 3 CYS 0.062 0.035 17 0 "[ . 1 . ]"
1 4 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 6 CYS 0.076 0.067 5 0 "[ . 1 . ]"
1 11 CYS 0.076 0.067 5 0 "[ . 1 . ]"
1 16 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 18 VAL 0.012 0.012 4 0 "[ . 1 . ]"
1 25 TYR 0.087 0.031 10 0 "[ . 1 . ]"
1 26 CYS 0.012 0.012 13 0 "[ . 1 . ]"
1 27 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 28 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 29 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 30 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 31 TRP 0.008 0.008 18 0 "[ . 1 . ]"
1 32 ARG 0.005 0.005 15 0 "[ . 1 . ]"
1 37 THR 0.005 0.005 15 0 "[ . 1 . ]"
1 39 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 41 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 43 CYS 0.012 0.012 13 0 "[ . 1 . ]"
1 55 LEU 0.008 0.008 18 0 "[ . 1 . ]"
1 57 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 59 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 61 THR 0.087 0.031 10 0 "[ . 1 . ]"
1 64 ASP 0.062 0.035 17 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 LYS HA 1 18 VAL HA 2.700 . 3.200 2.232 1.854 3.212 0.012 4 0 "[ . 1 . ]" 1
2 1 4 LYS HA 1 16 LEU HA 2.700 . 3.200 1.881 1.821 2.055 . 0 0 "[ . 1 . ]" 1
3 1 6 CYS HA 1 11 CYS HA 5.000 . 5.500 3.882 2.188 5.567 0.067 5 0 "[ . 1 . ]" 1
4 1 25 TYR HA 1 61 THR HA 3.100 . 3.600 3.480 3.151 3.631 0.031 10 0 "[ . 1 . ]" 1
5 1 3 CYS HA 1 64 ASP HA 4.000 . 4.500 3.673 2.360 4.535 0.035 17 0 "[ . 1 . ]" 1
6 1 26 CYS HA 1 43 CYS HA 2.700 . 2.900 2.209 1.856 2.912 0.012 13 0 "[ . 1 . ]" 1
7 1 27 PHE HA 1 59 CYS HA 2.700 . 2.900 1.998 1.829 2.373 . 0 0 "[ . 1 . ]" 1
8 1 28 LYS HA 1 41 ARG HA 3.000 . 3.200 2.275 1.861 2.945 . 0 0 "[ . 1 . ]" 1
9 1 29 GLU HA 1 57 VAL HA 2.700 . 2.900 2.232 1.876 2.674 . 0 0 "[ . 1 . ]" 1
10 1 30 SER HA 1 39 ILE HA 2.700 . 2.900 1.923 1.848 2.114 . 0 0 "[ . 1 . ]" 1
11 1 31 TRP HA 1 55 LEU HA 2.700 . 2.900 2.669 2.077 2.908 0.008 18 0 "[ . 1 . ]" 1
12 1 32 ARG HA 1 37 THR HA 2.700 . 2.900 2.761 2.259 2.905 0.005 15 0 "[ . 1 . ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 26
_Distance_constraint_stats_list.Viol_count 21
_Distance_constraint_stats_list.Viol_total 5.281
_Distance_constraint_stats_list.Viol_max 0.076
_Distance_constraint_stats_list.Viol_rms 0.0041
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0132
_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 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 5 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 10 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 11 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 12 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 13 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 15 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 17 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 19 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 20 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 21 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 23 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 25 TYR 0.021 0.010 11 0 "[ . 1 . ]"
1 26 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 28 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 29 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 30 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 31 TRP 0.000 0.000 . 0 "[ . 1 . ]"
1 32 ARG 0.047 0.019 17 0 "[ . 1 . ]"
1 33 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 34 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 35 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 36 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 38 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 40 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 43 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 44 ALA 0.021 0.010 11 0 "[ . 1 . ]"
1 51 SER 0.210 0.076 7 0 "[ . 1 . ]"
1 52 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 53 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 54 GLY 0.257 0.076 7 0 "[ . 1 . ]"
1 55 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 56 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 58 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 60 CYS 0.000 0.000 . 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 CYS H 1 17 LYS H 3.200 . 3.700 2.538 2.148 3.184 . 0 0 "[ . 1 . ]" 2
2 1 5 ILE H 1 15 GLU H 3.200 . 3.700 3.418 2.951 3.683 . 0 0 "[ . 1 . ]" 2
3 1 10 THR H 1 11 CYS H 4.500 . 5.000 3.392 2.177 4.628 . 0 0 "[ . 1 . ]" 2
4 1 11 CYS H 1 12 ARG H 4.500 . 5.000 3.654 2.728 4.377 . 0 0 "[ . 1 . ]" 2
5 1 12 ARG H 1 13 ALA H 4.500 . 5.000 2.580 1.874 4.644 . 0 0 "[ . 1 . ]" 2
6 1 13 ALA H 1 14 GLY H 4.500 . 5.000 2.912 2.182 4.563 . 0 0 "[ . 1 . ]" 2
7 1 14 GLY H 1 15 GLU H 3.100 . 3.600 2.538 1.836 2.924 . 0 0 "[ . 1 . ]" 2
8 1 19 CYS H 1 20 ALA H 4.500 . 5.000 2.812 1.865 4.401 . 0 0 "[ . 1 . ]" 2
9 1 19 CYS H 1 21 SER H 4.500 . 5.000 4.732 4.268 4.984 . 0 0 "[ . 1 . ]" 2
10 1 21 SER H 1 22 GLY H 4.500 . 5.000 2.477 1.875 3.305 . 0 0 "[ . 1 . ]" 2
11 1 22 GLY H 1 23 GLU H 2.700 . 3.200 2.591 1.957 3.187 . 0 0 "[ . 1 . ]" 2
12 1 25 TYR H 1 44 ALA H 3.200 . 3.700 3.428 2.686 3.710 0.010 11 0 "[ . 1 . ]" 2
13 1 26 CYS H 1 60 CYS H 3.200 . 3.700 3.142 2.869 3.550 . 0 0 "[ . 1 . ]" 2
14 1 28 LYS H 1 58 LEU H 3.200 . 3.700 2.668 2.276 3.257 . 0 0 "[ . 1 . ]" 2
15 1 29 GLU H 1 40 GLU H 3.200 . 3.700 3.058 2.429 3.551 . 0 0 "[ . 1 . ]" 2
16 1 30 SER H 1 56 TYR H 3.200 . 3.700 2.795 2.175 3.470 . 0 0 "[ . 1 . ]" 2
17 1 31 TRP H 1 38 ARG H 3.200 . 3.700 3.211 2.349 3.562 . 0 0 "[ . 1 . ]" 2
18 1 32 ARG H 1 54 GLY H 4.500 . 5.000 4.878 4.631 5.019 0.019 17 0 "[ . 1 . ]" 2
19 1 33 GLU H 1 34 ALA H 4.500 . 5.000 4.312 2.652 4.655 . 0 0 "[ . 1 . ]" 2
20 1 34 ALA H 1 35 ARG H . . 3.100 2.445 1.866 2.838 . 0 0 "[ . 1 . ]" 2
21 1 35 ARG H 1 36 GLY H . . 2.900 2.313 1.931 2.783 . 0 0 "[ . 1 . ]" 2
22 1 42 GLY H 1 43 CYS H 5.000 . 5.500 4.294 3.659 4.447 . 0 0 "[ . 1 . ]" 2
23 1 51 SER H 1 54 GLY H 2.300 . 2.800 2.800 2.718 2.876 0.076 7 0 "[ . 1 . ]" 2
24 1 52 VAL H 1 53 TYR H 4.500 . 5.000 3.006 2.326 4.159 . 0 0 "[ . 1 . ]" 2
25 1 53 TYR H 1 54 GLY H 4.500 . 5.000 2.710 2.147 3.138 . 0 0 "[ . 1 . ]" 2
26 1 54 GLY H 1 55 LEU H 5.000 . 5.500 2.470 1.931 3.395 . 0 0 "[ . 1 . ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 308
_Distance_constraint_stats_list.Viol_count 217
_Distance_constraint_stats_list.Viol_total 199.355
_Distance_constraint_stats_list.Viol_max 0.204
_Distance_constraint_stats_list.Viol_rms 0.0132
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0018
_Distance_constraint_stats_list.Viol_average_violations_only 0.0484
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.000 0.000 . 0 "[ . 1 . ]"
1 2 LYS 0.340 0.042 3 0 "[ . 1 . ]"
1 3 CYS 0.915 0.072 6 0 "[ . 1 . ]"
1 4 LYS 0.516 0.072 6 0 "[ . 1 . ]"
1 5 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 6 CYS 0.093 0.063 5 0 "[ . 1 . ]"
1 7 ASN 0.043 0.021 7 0 "[ . 1 . ]"
1 8 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 9 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 10 THR 0.353 0.140 17 0 "[ . 1 . ]"
1 11 CYS 0.134 0.063 5 0 "[ . 1 . ]"
1 12 ARG 0.920 0.087 6 0 "[ . 1 . ]"
1 13 ALA 0.601 0.084 3 0 "[ . 1 . ]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 15 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 16 LEU 0.071 0.071 16 0 "[ . 1 . ]"
1 17 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 18 VAL 0.921 0.117 16 0 "[ . 1 . ]"
1 19 CYS 0.051 0.016 18 0 "[ . 1 . ]"
1 20 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 21 SER 0.001 0.001 13 0 "[ . 1 . ]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 23 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 24 LYS 0.001 0.001 13 0 "[ . 1 . ]"
1 25 TYR 0.399 0.082 10 0 "[ . 1 . ]"
1 26 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 27 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 28 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 29 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 30 SER 0.090 0.032 2 0 "[ . 1 . ]"
1 31 TRP 0.076 0.032 2 0 "[ . 1 . ]"
1 32 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 33 GLU 0.059 0.030 15 0 "[ . 1 . ]"
1 34 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 35 ARG 0.116 0.030 15 0 "[ . 1 . ]"
1 36 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 37 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 38 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 39 ILE 0.183 0.125 16 0 "[ . 1 . ]"
1 40 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 41 ARG 0.001 0.001 1 0 "[ . 1 . ]"
1 42 GLY 0.001 0.001 1 0 "[ . 1 . ]"
1 43 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 44 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 45 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 46 THR 0.082 0.057 11 0 "[ . 1 . ]"
1 47 CYS 1.594 0.204 9 0 "[ . 1 . ]"
1 48 PRO 0.026 0.014 16 0 "[ . 1 . ]"
1 49 LYS 0.055 0.017 10 0 "[ . 1 . ]"
1 50 GLY 0.029 0.017 10 0 "[ . 1 . ]"
1 51 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 52 VAL 0.073 0.036 19 0 "[ . 1 . ]"
1 53 TYR 0.014 0.014 7 0 "[ . 1 . ]"
1 54 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 55 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 56 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 57 VAL 0.121 0.080 1 0 "[ . 1 . ]"
1 58 LEU 0.005 0.005 12 0 "[ . 1 . ]"
1 59 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 60 CYS 1.503 0.188 1 0 "[ . 1 . ]"
1 61 THR 2.738 0.171 17 0 "[ . 1 . ]"
1 62 THR 0.042 0.042 12 0 "[ . 1 . ]"
1 63 ASP 0.042 0.042 12 0 "[ . 1 . ]"
1 64 ASP 0.510 0.062 16 0 "[ . 1 . ]"
1 65 CYS 1.617 0.188 1 0 "[ . 1 . ]"
1 66 ASN 0.132 0.032 3 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 1 2 LYS H 2.700 . 3.200 2.347 2.219 2.626 . 0 0 "[ . 1 . ]" 3
2 1 1 MET HB2 1 2 LYS H 4.500 . 5.000 4.351 2.729 4.687 . 0 0 "[ . 1 . ]" 3
3 1 1 MET HB3 1 2 LYS H 4.500 . 5.000 3.826 2.347 4.529 . 0 0 "[ . 1 . ]" 3
4 1 1 MET QG 1 2 LYS H 4.500 . 5.000 3.916 3.215 4.439 . 0 0 "[ . 1 . ]" 3
5 1 2 LYS H 1 66 ASN HB2 4.500 . 5.000 3.951 2.717 5.007 0.007 12 0 "[ . 1 . ]" 3
6 1 2 LYS H 1 66 ASN HB3 4.500 . 5.000 4.482 2.211 5.032 0.032 3 0 "[ . 1 . ]" 3
7 1 2 LYS H 1 66 ASN QB 4.500 . 5.000 3.640 2.187 4.467 . 0 0 "[ . 1 . ]" 3
8 1 2 LYS H 1 66 ASN QD 3.100 . 3.600 2.494 1.842 2.988 . 0 0 "[ . 1 . ]" 3
9 1 2 LYS HA 1 3 CYS H 2.300 . 2.800 2.573 2.365 2.808 0.008 2 0 "[ . 1 . ]" 3
10 1 2 LYS HB2 1 3 CYS H 3.100 . 3.600 3.524 3.231 3.642 0.042 3 0 "[ . 1 . ]" 3
11 1 2 LYS HB3 1 3 CYS H 3.100 . 3.600 2.349 1.866 2.864 . 0 0 "[ . 1 . ]" 3
12 1 2 LYS QG 1 3 CYS H 4.500 . 5.000 3.770 3.149 4.267 . 0 0 "[ . 1 . ]" 3
13 1 3 CYS H 1 16 LEU HA 5.500 . 6.000 4.241 3.891 4.841 . 0 0 "[ . 1 . ]" 3
14 1 3 CYS H 1 18 VAL HA 4.500 . 5.000 3.295 2.777 3.594 . 0 0 "[ . 1 . ]" 3
15 1 3 CYS H 1 18 VAL QG 5.500 . 6.000 3.893 3.285 4.224 . 0 0 "[ . 1 . ]" 3
16 1 3 CYS HA 1 4 LYS H 2.300 . 2.800 2.217 2.199 2.237 . 0 0 "[ . 1 . ]" 3
17 1 3 CYS HB2 1 4 LYS H 4.000 . 4.500 4.511 4.401 4.572 0.072 6 0 "[ . 1 . ]" 3
18 1 3 CYS HB3 1 4 LYS H 4.500 . 5.000 4.150 3.769 4.447 . 0 0 "[ . 1 . ]" 3
19 1 4 LYS H 1 4 LYS HB3 3.100 . 3.600 2.449 2.154 2.727 . 0 0 "[ . 1 . ]" 3
20 1 4 LYS H 1 4 LYS HG2 4.500 . 5.000 3.605 1.882 4.529 . 0 0 "[ . 1 . ]" 3
21 1 4 LYS H 1 4 LYS HG3 4.500 . 5.000 3.854 2.057 4.616 . 0 0 "[ . 1 . ]" 3
22 1 4 LYS H 1 16 LEU QB 4.500 . 5.000 4.170 4.059 4.249 . 0 0 "[ . 1 . ]" 3
23 1 4 LYS H 1 16 LEU QD 4.500 . 5.000 2.807 2.370 3.634 . 0 0 "[ . 1 . ]" 3
24 1 4 LYS H 1 64 ASP HA 4.500 . 5.000 3.553 2.943 5.018 0.018 4 0 "[ . 1 . ]" 3
25 1 4 LYS HA 1 5 ILE H 2.300 . 2.800 2.226 2.205 2.297 . 0 0 "[ . 1 . ]" 3
26 1 5 ILE H 1 5 ILE HB 3.100 . 3.600 2.477 2.296 2.652 . 0 0 "[ . 1 . ]" 3
27 1 5 ILE HA 1 6 CYS H 2.300 . 2.800 2.232 2.195 2.358 . 0 0 "[ . 1 . ]" 3
28 1 6 CYS HA 1 7 ASN H 3.100 . 3.600 2.658 2.223 3.504 . 0 0 "[ . 1 . ]" 3
29 1 7 ASN HA 1 8 PHE H 4.500 . 5.000 2.639 2.215 3.248 . 0 0 "[ . 1 . ]" 3
30 1 7 ASN HB2 1 8 PHE H 4.500 . 5.000 3.612 1.834 4.657 . 0 0 "[ . 1 . ]" 3
31 1 7 ASN HB3 1 8 PHE H 4.500 . 5.000 3.203 1.852 4.471 . 0 0 "[ . 1 . ]" 3
32 1 8 PHE HA 1 9 ASP H 4.500 . 5.000 2.456 2.226 2.673 . 0 0 "[ . 1 . ]" 3
33 1 9 ASP H 1 9 ASP QB 3.300 . 3.800 2.991 2.912 3.301 . 0 0 "[ . 1 . ]" 3
34 1 9 ASP HA 1 10 THR H 4.500 . 5.000 3.321 2.910 3.609 . 0 0 "[ . 1 . ]" 3
35 1 9 ASP HB2 1 10 THR H 4.500 . 5.000 3.862 3.202 4.337 . 0 0 "[ . 1 . ]" 3
36 1 9 ASP HB3 1 10 THR H 4.500 . 5.000 3.520 2.500 4.468 . 0 0 "[ . 1 . ]" 3
37 1 10 THR H 1 10 THR HB 3.100 . 3.600 3.470 2.804 3.740 0.140 17 0 "[ . 1 . ]" 3
38 1 10 THR H 1 10 THR MG 3.100 . 3.600 2.442 1.891 2.813 . 0 0 "[ . 1 . ]" 3
39 1 10 THR HA 1 11 CYS H 3.000 . 3.500 2.764 2.234 3.485 . 0 0 "[ . 1 . ]" 3
40 1 10 THR HB 1 11 CYS H 4.500 . 5.000 3.837 1.830 4.685 . 0 0 "[ . 1 . ]" 3
41 1 10 THR MG 1 11 CYS H 4.500 . 5.000 3.477 2.246 4.103 . 0 0 "[ . 1 . ]" 3
42 1 11 CYS H 1 11 CYS HA 2.900 . 3.400 2.929 2.767 2.997 . 0 0 "[ . 1 . ]" 3
43 1 11 CYS HA 1 12 ARG H 2.300 . 2.800 2.482 2.211 2.822 0.022 6 0 "[ . 1 . ]" 3
44 1 11 CYS HB2 1 12 ARG H 4.500 . 5.000 4.535 4.230 4.691 . 0 0 "[ . 1 . ]" 3
45 1 11 CYS HB3 1 12 ARG H 4.500 . 5.000 4.256 3.806 4.406 . 0 0 "[ . 1 . ]" 3
46 1 12 ARG H 1 12 ARG QG 3.100 . 3.600 2.762 1.944 3.245 . 0 0 "[ . 1 . ]" 3
47 1 12 ARG HA 1 13 ALA H 2.900 . 3.400 3.343 2.321 3.484 0.084 3 0 "[ . 1 . ]" 3
48 1 12 ARG HB3 1 13 ALA H 3.500 . 4.000 3.632 1.997 4.000 0.000 6 0 "[ . 1 . ]" 3
49 1 12 ARG HB2 1 13 ALA H 3.500 . 4.000 3.270 2.256 4.018 0.018 2 0 "[ . 1 . ]" 3
50 1 13 ALA H 1 13 ALA MB 3.100 . 3.600 2.092 1.923 2.267 . 0 0 "[ . 1 . ]" 3
51 1 13 ALA HA 1 14 GLY H 3.100 . 3.600 3.343 2.346 3.594 . 0 0 "[ . 1 . ]" 3
52 1 13 ALA MB 1 14 GLY H 4.500 . 5.000 2.442 1.874 3.737 . 0 0 "[ . 1 . ]" 3
53 1 13 ALA HA 1 15 GLU H 4.500 . 5.000 4.487 3.680 4.912 . 0 0 "[ . 1 . ]" 3
54 1 14 GLY HA2 1 15 GLU H 4.500 . 5.000 2.964 2.846 3.558 . 0 0 "[ . 1 . ]" 3
55 1 14 GLY HA3 1 15 GLU H 4.500 . 5.000 3.451 2.849 3.561 . 0 0 "[ . 1 . ]" 3
56 1 15 GLU H 1 15 GLU QG 4.500 . 5.000 3.412 1.891 4.065 . 0 0 "[ . 1 . ]" 3
57 1 15 GLU HA 1 16 LEU H 2.300 . 2.800 2.367 2.208 2.676 . 0 0 "[ . 1 . ]" 3
58 1 15 GLU HB2 1 16 LEU H 4.500 . 5.000 4.460 3.178 4.700 . 0 0 "[ . 1 . ]" 3
59 1 15 GLU HB3 1 16 LEU H 4.500 . 5.000 4.038 2.207 4.359 . 0 0 "[ . 1 . ]" 3
60 1 15 GLU QG 1 16 LEU H 4.500 . 5.000 4.000 2.903 4.361 . 0 0 "[ . 1 . ]" 3
61 1 16 LEU H 1 16 LEU HA 2.900 . 3.400 2.972 2.942 2.997 . 0 0 "[ . 1 . ]" 3
62 1 16 LEU H 1 16 LEU MD1 5.000 . 5.500 4.259 2.280 4.639 . 0 0 "[ . 1 . ]" 3
63 1 16 LEU H 1 16 LEU MD2 5.000 . 5.500 3.649 2.738 4.263 . 0 0 "[ . 1 . ]" 3
64 1 4 LYS HA 1 17 LYS H 4.500 . 5.000 3.648 3.493 3.802 . 0 0 "[ . 1 . ]" 3
65 1 16 LEU HA 1 17 LYS H 3.100 . 3.600 2.315 2.224 2.629 . 0 0 "[ . 1 . ]" 3
66 1 16 LEU HB2 1 17 LYS H 4.500 . 5.000 3.931 2.960 4.139 . 0 0 "[ . 1 . ]" 3
67 1 16 LEU HB3 1 17 LYS H 4.500 . 5.000 3.949 2.431 4.303 . 0 0 "[ . 1 . ]" 3
68 1 16 LEU QD 1 17 LYS H 4.500 . 5.000 3.066 2.592 3.660 . 0 0 "[ . 1 . ]" 3
69 1 17 LYS H 1 18 VAL QG 5.500 . 6.000 4.371 4.101 4.521 . 0 0 "[ . 1 . ]" 3
70 1 17 LYS HA 1 18 VAL H 2.700 . 3.200 2.958 2.735 3.119 . 0 0 "[ . 1 . ]" 3
71 1 17 LYS HB2 1 18 VAL H 4.500 . 5.000 3.174 1.866 3.729 . 0 0 "[ . 1 . ]" 3
72 1 17 LYS HB3 1 18 VAL H 4.500 . 5.000 2.138 1.854 3.500 . 0 0 "[ . 1 . ]" 3
73 1 18 VAL H 1 18 VAL HB 3.100 . 3.600 3.495 2.809 3.717 0.117 16 0 "[ . 1 . ]" 3
74 1 18 VAL H 1 18 VAL MG1 4.500 . 5.000 3.148 2.489 3.970 . 0 0 "[ . 1 . ]" 3
75 1 18 VAL H 1 18 VAL MG2 4.500 . 5.000 2.042 1.808 2.692 . 0 0 "[ . 1 . ]" 3
76 1 2 LYS HA 1 19 CYS H 4.500 . 5.000 3.552 2.807 4.501 . 0 0 "[ . 1 . ]" 3
77 1 2 LYS HG2 1 19 CYS H 5.500 . 6.000 5.545 4.803 6.016 0.016 18 0 "[ . 1 . ]" 3
78 1 2 LYS HG3 1 19 CYS H 5.500 . 6.000 5.641 4.949 6.008 0.008 8 0 "[ . 1 . ]" 3
79 1 18 VAL HB 1 19 CYS H 4.500 . 5.000 3.265 2.214 4.016 . 0 0 "[ . 1 . ]" 3
80 1 18 VAL MG1 1 19 CYS H 4.500 . 5.000 3.530 2.162 4.164 . 0 0 "[ . 1 . ]" 3
81 1 18 VAL MG2 1 19 CYS H 4.500 . 5.000 3.994 3.222 4.181 . 0 0 "[ . 1 . ]" 3
82 1 18 VAL HA 1 19 CYS H 2.900 . 3.400 2.296 2.201 2.641 . 0 0 "[ . 1 . ]" 3
83 1 19 CYS H 1 19 CYS QB 3.300 . 3.800 2.832 2.510 3.332 . 0 0 "[ . 1 . ]" 3
84 1 19 CYS HA 1 20 ALA H 3.100 . 3.600 3.269 2.656 3.597 . 0 0 "[ . 1 . ]" 3
85 1 19 CYS HB2 1 20 ALA H 4.500 . 5.000 3.404 1.957 4.653 . 0 0 "[ . 1 . ]" 3
86 1 19 CYS HB3 1 20 ALA H 4.500 . 5.000 2.903 1.862 4.605 . 0 0 "[ . 1 . ]" 3
87 1 20 ALA HA 1 21 SER H 3.100 . 3.600 2.683 2.319 3.155 . 0 0 "[ . 1 . ]" 3
88 1 20 ALA MB 1 21 SER H 4.500 . 5.000 3.662 3.478 3.737 . 0 0 "[ . 1 . ]" 3
89 1 21 SER H 1 21 SER QB 3.500 . 4.000 2.367 1.990 3.245 . 0 0 "[ . 1 . ]" 3
90 1 21 SER H 1 24 LYS HG2 5.500 . 6.000 4.965 2.745 6.001 0.001 13 0 "[ . 1 . ]" 3
91 1 21 SER H 1 24 LYS HG3 5.500 . 6.000 4.880 3.008 5.912 . 0 0 "[ . 1 . ]" 3
92 1 21 SER HA 1 22 GLY H 3.100 . 3.600 3.337 2.387 3.584 . 0 0 "[ . 1 . ]" 3
93 1 21 SER QB 1 22 GLY H 4.500 . 5.000 3.101 1.895 4.045 . 0 0 "[ . 1 . ]" 3
94 1 22 GLY H 1 22 GLY HA2 2.500 . 3.000 2.827 2.428 2.994 . 0 0 "[ . 1 . ]" 3
95 1 22 GLY H 1 22 GLY HA3 2.500 . 3.000 2.790 2.535 2.989 . 0 0 "[ . 1 . ]" 3
96 1 22 GLY HA2 1 23 GLU H 4.500 . 5.000 3.364 2.449 3.589 . 0 0 "[ . 1 . ]" 3
97 1 22 GLY HA3 1 23 GLU H 4.500 . 5.000 2.784 2.254 3.587 . 0 0 "[ . 1 . ]" 3
98 1 23 GLU HA 1 24 LYS H 4.500 . 5.000 3.030 2.485 3.589 . 0 0 "[ . 1 . ]" 3
99 1 24 LYS H 1 24 LYS HG2 4.500 . 5.000 3.573 1.857 4.797 . 0 0 "[ . 1 . ]" 3
100 1 24 LYS H 1 24 LYS HG3 4.500 . 5.000 3.559 2.394 4.524 . 0 0 "[ . 1 . ]" 3
101 1 24 LYS HA 1 25 TYR H 3.100 . 3.600 2.358 2.205 2.876 . 0 0 "[ . 1 . ]" 3
102 1 24 LYS QG 1 25 TYR H 4.500 . 5.000 3.775 2.303 4.459 . 0 0 "[ . 1 . ]" 3
103 1 25 TYR H 1 25 TYR HB3 3.100 . 3.600 3.495 3.099 3.682 0.082 10 0 "[ . 1 . ]" 3
104 1 25 TYR HA 1 26 CYS H 2.300 . 2.800 2.371 2.232 2.677 . 0 0 "[ . 1 . ]" 3
105 1 25 TYR HB2 1 26 CYS H 4.500 . 5.000 3.538 2.108 4.538 . 0 0 "[ . 1 . ]" 3
106 1 26 CYS H 1 26 CYS QB 3.100 . 3.600 2.016 1.930 2.236 . 0 0 "[ . 1 . ]" 3
107 1 26 CYS HA 1 27 PHE H 2.300 . 2.800 2.249 2.207 2.334 . 0 0 "[ . 1 . ]" 3
108 1 26 CYS QB 1 27 PHE H 4.500 . 5.000 3.631 3.067 3.891 . 0 0 "[ . 1 . ]" 3
109 1 27 PHE H 1 43 CYS HA 4.500 . 5.000 2.865 1.869 3.939 . 0 0 "[ . 1 . ]" 3
110 1 27 PHE HA 1 28 LYS H 2.300 . 2.800 2.222 2.188 2.392 . 0 0 "[ . 1 . ]" 3
111 1 27 PHE HB2 1 28 LYS H 4.500 . 5.000 3.640 2.745 4.481 . 0 0 "[ . 1 . ]" 3
112 1 27 PHE HB3 1 28 LYS H 4.500 . 5.000 4.386 4.049 4.546 . 0 0 "[ . 1 . ]" 3
113 1 28 LYS H 1 28 LYS QB 3.100 . 3.600 2.406 2.126 3.100 . 0 0 "[ . 1 . ]" 3
114 1 28 LYS H 1 59 CYS HA 4.500 . 5.000 3.314 2.715 3.682 . 0 0 "[ . 1 . ]" 3
115 1 28 LYS HA 1 29 GLU H 2.300 . 2.800 2.247 2.217 2.409 . 0 0 "[ . 1 . ]" 3
116 1 28 LYS HB2 1 29 GLU H 4.500 . 5.000 4.175 2.817 4.603 . 0 0 "[ . 1 . ]" 3
117 1 28 LYS HB3 1 29 GLU H 4.500 . 5.000 4.110 3.416 4.473 . 0 0 "[ . 1 . ]" 3
118 1 28 LYS QG 1 29 GLU H 4.500 . 5.000 3.462 2.455 4.467 . 0 0 "[ . 1 . ]" 3
119 1 29 GLU H 1 29 GLU QB 3.100 . 3.600 2.439 2.104 3.064 . 0 0 "[ . 1 . ]" 3
120 1 29 GLU H 1 39 ILE QG 5.500 . 6.000 4.679 3.511 5.396 . 0 0 "[ . 1 . ]" 3
121 1 29 GLU HA 1 30 SER H 2.300 . 2.800 2.280 2.203 2.569 . 0 0 "[ . 1 . ]" 3
122 1 29 GLU QB 1 30 SER H 4.500 . 5.000 3.496 2.252 3.990 . 0 0 "[ . 1 . ]" 3
123 1 30 SER H 1 56 TYR HB2 5.500 . 6.000 3.883 2.991 5.300 . 0 0 "[ . 1 . ]" 3
124 1 30 SER H 1 56 TYR HB3 5.500 . 6.000 2.952 2.047 4.074 . 0 0 "[ . 1 . ]" 3
125 1 30 SER H 1 57 VAL HA 4.500 . 5.000 3.672 2.919 4.005 . 0 0 "[ . 1 . ]" 3
126 1 30 SER HA 1 31 TRP H 2.300 . 2.800 2.242 2.207 2.325 . 0 0 "[ . 1 . ]" 3
127 1 30 SER HB2 1 31 TRP H 4.500 . 5.000 4.341 3.712 4.610 . 0 0 "[ . 1 . ]" 3
128 1 30 SER HB3 1 31 TRP H 4.500 . 5.000 4.304 3.116 4.682 . 0 0 "[ . 1 . ]" 3
129 1 31 TRP H 1 39 ILE HA 4.500 . 5.000 3.167 2.443 3.668 . 0 0 "[ . 1 . ]" 3
130 1 31 TRP HA 1 32 ARG H 2.300 . 2.800 2.237 2.205 2.290 . 0 0 "[ . 1 . ]" 3
131 1 31 TRP HB2 1 32 ARG H 4.500 . 5.000 4.314 3.023 4.622 . 0 0 "[ . 1 . ]" 3
132 1 31 TRP HB3 1 32 ARG H 4.500 . 5.000 3.843 3.208 4.446 . 0 0 "[ . 1 . ]" 3
133 1 32 ARG H 1 55 LEU HA 4.500 . 5.000 3.530 2.362 4.117 . 0 0 "[ . 1 . ]" 3
134 1 32 ARG HA 1 33 GLU H 3.100 . 3.600 2.309 2.206 2.561 . 0 0 "[ . 1 . ]" 3
135 1 33 GLU H 1 33 GLU HG2 4.500 . 5.000 4.530 4.172 4.954 . 0 0 "[ . 1 . ]" 3
136 1 33 GLU H 1 33 GLU HG3 4.500 . 5.000 4.196 3.128 4.819 . 0 0 "[ . 1 . ]" 3
137 1 33 GLU H 1 37 THR HA 4.500 . 5.000 2.788 1.882 4.111 . 0 0 "[ . 1 . ]" 3
138 1 33 GLU H 1 37 THR HB 5.000 . 5.500 4.646 2.731 5.440 . 0 0 "[ . 1 . ]" 3
139 1 33 GLU H 1 37 THR MG 5.000 . 5.500 3.477 2.456 4.536 . 0 0 "[ . 1 . ]" 3
140 1 33 GLU HA 1 34 ALA H 3.100 . 3.600 2.618 2.245 3.561 . 0 0 "[ . 1 . ]" 3
141 1 33 GLU HB2 1 34 ALA H 4.000 . 4.500 3.924 3.119 4.455 . 0 0 "[ . 1 . ]" 3
142 1 33 GLU HB3 1 34 ALA H 4.000 . 4.500 2.807 1.883 3.797 . 0 0 "[ . 1 . ]" 3
143 1 33 GLU QG 1 34 ALA H 4.500 . 5.000 2.709 1.964 3.709 . 0 0 "[ . 1 . ]" 3
144 1 33 GLU HA 1 35 ARG H 4.500 . 5.000 4.243 3.725 5.005 0.005 15 0 "[ . 1 . ]" 3
145 1 33 GLU HB3 1 35 ARG H 4.000 . 4.500 2.543 2.099 3.076 . 0 0 "[ . 1 . ]" 3
146 1 33 GLU HB2 1 35 ARG H 4.000 . 4.500 4.031 2.817 4.530 0.030 15 0 "[ . 1 . ]" 3
147 1 33 GLU QG 1 35 ARG H 4.500 . 5.000 3.346 2.194 4.483 . 0 0 "[ . 1 . ]" 3
148 1 34 ALA HA 1 35 ARG H 3.100 . 3.600 3.453 3.243 3.571 . 0 0 "[ . 1 . ]" 3
149 1 34 ALA MB 1 35 ARG H 4.500 . 5.000 2.926 2.593 3.349 . 0 0 "[ . 1 . ]" 3
150 1 35 ARG H 1 35 ARG HB2 3.100 . 3.600 2.414 1.964 3.620 0.020 3 0 "[ . 1 . ]" 3
151 1 35 ARG H 1 35 ARG HB3 3.100 . 3.600 3.258 2.614 3.628 0.028 2 0 "[ . 1 . ]" 3
152 1 35 ARG H 1 35 ARG QG 4.500 . 5.000 3.230 1.808 4.079 . 0 0 "[ . 1 . ]" 3
153 1 35 ARG HA 1 36 GLY H 3.100 . 3.600 3.327 2.906 3.560 . 0 0 "[ . 1 . ]" 3
154 1 35 ARG QB 1 36 GLY H 4.500 . 5.000 3.257 2.540 3.824 . 0 0 "[ . 1 . ]" 3
155 1 36 GLY HA2 1 37 THR H 3.000 . 3.500 2.688 2.193 3.178 . 0 0 "[ . 1 . ]" 3
156 1 36 GLY HA3 1 37 THR H 3.000 . 3.500 2.595 2.204 3.265 . 0 0 "[ . 1 . ]" 3
157 1 37 THR H 1 37 THR MG 4.500 . 5.000 3.085 1.851 3.984 . 0 0 "[ . 1 . ]" 3
158 1 31 TRP HB2 1 38 ARG H 5.500 . 6.000 3.931 2.511 5.446 . 0 0 "[ . 1 . ]" 3
159 1 31 TRP HB3 1 38 ARG H 5.500 . 6.000 3.464 2.690 5.475 . 0 0 "[ . 1 . ]" 3
160 1 32 ARG HA 1 38 ARG H 4.500 . 5.000 3.827 3.371 4.055 . 0 0 "[ . 1 . ]" 3
161 1 37 THR HA 1 38 ARG H 2.300 . 2.800 2.302 2.224 2.402 . 0 0 "[ . 1 . ]" 3
162 1 37 THR HB 1 38 ARG H 4.000 . 4.500 3.558 2.708 4.210 . 0 0 "[ . 1 . ]" 3
163 1 37 THR MG 1 38 ARG H 4.500 . 5.000 3.243 1.953 4.161 . 0 0 "[ . 1 . ]" 3
164 1 38 ARG H 1 38 ARG QB 3.100 . 3.600 2.402 2.169 2.670 . 0 0 "[ . 1 . ]" 3
165 1 38 ARG H 1 38 ARG QG 4.500 . 5.000 3.605 2.725 4.146 . 0 0 "[ . 1 . ]" 3
166 1 7 ASN HA 1 39 ILE H 4.500 . 5.000 4.786 3.535 5.021 0.021 7 0 "[ . 1 . ]" 3
167 1 38 ARG HA 1 39 ILE H 2.300 . 2.800 2.332 2.215 2.487 . 0 0 "[ . 1 . ]" 3
168 1 38 ARG QB 1 39 ILE H 4.500 . 5.000 3.197 2.517 3.937 . 0 0 "[ . 1 . ]" 3
169 1 38 ARG QG 1 39 ILE H 4.500 . 5.000 3.526 2.027 4.463 . 0 0 "[ . 1 . ]" 3
170 1 39 ILE H 1 39 ILE HB 3.100 . 3.600 2.761 2.162 3.725 0.125 16 0 "[ . 1 . ]" 3
171 1 39 ILE H 1 39 ILE QG 4.500 . 5.000 3.611 2.048 4.162 . 0 0 "[ . 1 . ]" 3
172 1 30 SER HA 1 40 GLU H 4.500 . 5.000 3.273 2.841 3.730 . 0 0 "[ . 1 . ]" 3
173 1 39 ILE HA 1 40 GLU H 2.300 . 2.800 2.273 2.209 2.533 . 0 0 "[ . 1 . ]" 3
174 1 39 ILE HB 1 40 GLU H 4.500 . 5.000 4.189 2.527 4.511 . 0 0 "[ . 1 . ]" 3
175 1 39 ILE QG 1 40 GLU H 4.000 . 4.500 3.211 2.134 4.060 . 0 0 "[ . 1 . ]" 3
176 1 40 GLU HA 1 41 ARG H 2.300 . 2.800 2.322 2.222 2.554 . 0 0 "[ . 1 . ]" 3
177 1 40 GLU HB2 1 41 ARG H 4.500 . 5.000 4.244 3.868 4.656 . 0 0 "[ . 1 . ]" 3
178 1 40 GLU HB3 1 41 ARG H 4.500 . 5.000 3.501 2.576 4.314 . 0 0 "[ . 1 . ]" 3
179 1 28 LYS HA 1 42 GLY H 4.500 . 5.000 4.219 3.544 4.843 . 0 0 "[ . 1 . ]" 3
180 1 41 ARG HA 1 42 GLY H 2.300 . 2.800 2.648 2.410 2.801 0.001 1 0 "[ . 1 . ]" 3
181 1 41 ARG QB 1 42 GLY H 3.100 . 3.600 2.288 1.861 3.034 . 0 0 "[ . 1 . ]" 3
182 1 41 ARG QG 1 42 GLY H 4.500 . 5.000 3.397 1.955 4.331 . 0 0 "[ . 1 . ]" 3
183 1 42 GLY HA2 1 43 CYS H 3.100 . 3.600 2.751 2.223 3.349 . 0 0 "[ . 1 . ]" 3
184 1 42 GLY HA3 1 43 CYS H 3.100 . 3.600 2.525 2.192 3.147 . 0 0 "[ . 1 . ]" 3
185 1 26 CYS HA 1 44 ALA H 4.500 . 5.000 3.353 2.779 3.797 . 0 0 "[ . 1 . ]" 3
186 1 43 CYS HA 1 44 ALA H 2.300 . 2.800 2.233 2.210 2.354 . 0 0 "[ . 1 . ]" 3
187 1 43 CYS HB2 1 44 ALA H 4.500 . 5.000 4.379 3.442 4.692 . 0 0 "[ . 1 . ]" 3
188 1 43 CYS HB3 1 44 ALA H 4.500 . 5.000 3.909 3.332 4.498 . 0 0 "[ . 1 . ]" 3
189 1 44 ALA HA 1 45 ALA H 3.500 . 4.000 2.703 2.496 3.041 . 0 0 "[ . 1 . ]" 3
190 1 44 ALA MB 1 45 ALA H 4.500 . 5.000 2.139 1.860 2.445 . 0 0 "[ . 1 . ]" 3
191 1 44 ALA MB 1 46 THR H 3.100 . 3.600 2.561 2.270 2.797 . 0 0 "[ . 1 . ]" 3
192 1 45 ALA MB 1 46 THR H 3.600 . 4.100 3.280 2.750 3.490 . 0 0 "[ . 1 . ]" 3
193 1 45 ALA HA 1 46 THR H 3.500 . 4.000 3.277 3.136 3.521 . 0 0 "[ . 1 . ]" 3
194 1 46 THR H 1 46 THR MG 4.500 . 5.000 3.419 2.362 3.846 . 0 0 "[ . 1 . ]" 3
195 1 46 THR HA 1 47 CYS H 3.100 . 3.600 3.120 2.188 3.593 . 0 0 "[ . 1 . ]" 3
196 1 46 THR HB 1 47 CYS H 3.100 . 3.600 2.967 1.891 3.657 0.057 11 0 "[ . 1 . ]" 3
197 1 46 THR MG 1 47 CYS H 4.500 . 5.000 3.850 3.166 4.197 . 0 0 "[ . 1 . ]" 3
198 1 47 CYS H 1 47 CYS HB2 3.100 . 3.600 3.006 2.251 3.662 0.062 11 0 "[ . 1 . ]" 3
199 1 47 CYS H 1 47 CYS HB3 3.100 . 3.600 3.631 3.228 3.804 0.204 9 0 "[ . 1 . ]" 3
200 1 48 PRO HA 1 49 LYS H 2.300 . 2.800 2.640 2.250 2.814 0.014 16 0 "[ . 1 . ]" 3
201 1 48 PRO QB 1 49 LYS H 4.500 . 5.000 2.280 1.871 3.665 . 0 0 "[ . 1 . ]" 3
202 1 49 LYS H 1 49 LYS QB 3.100 . 3.600 2.491 2.018 2.986 . 0 0 "[ . 1 . ]" 3
203 1 49 LYS H 1 49 LYS QG 4.500 . 5.000 3.079 1.863 4.204 . 0 0 "[ . 1 . ]" 3
204 1 49 LYS HA 1 50 GLY H 3.100 . 3.600 2.889 2.619 3.588 . 0 0 "[ . 1 . ]" 3
205 1 49 LYS HB2 1 50 GLY H 3.100 . 3.600 3.001 2.021 3.599 . 0 0 "[ . 1 . ]" 3
206 1 49 LYS HB3 1 50 GLY H 3.100 . 3.600 2.265 1.867 3.617 0.017 10 0 "[ . 1 . ]" 3
207 1 50 GLY HA2 1 51 SER H 3.100 . 3.600 2.763 2.194 2.987 . 0 0 "[ . 1 . ]" 3
208 1 50 GLY HA3 1 51 SER H 3.100 . 3.600 2.507 2.298 3.235 . 0 0 "[ . 1 . ]" 3
209 1 51 SER HA 1 52 VAL H 3.100 . 3.600 2.925 2.303 3.589 . 0 0 "[ . 1 . ]" 3
210 1 51 SER QB 1 52 VAL H 4.500 . 5.000 2.738 1.910 4.083 . 0 0 "[ . 1 . ]" 3
211 1 52 VAL H 1 52 VAL HB 3.100 . 3.600 2.783 2.193 3.636 0.036 19 0 "[ . 1 . ]" 3
212 1 52 VAL H 1 52 VAL MG1 4.500 . 5.000 3.219 2.005 4.053 . 0 0 "[ . 1 . ]" 3
213 1 52 VAL H 1 52 VAL MG2 4.500 . 5.000 2.515 1.852 3.699 . 0 0 "[ . 1 . ]" 3
214 1 52 VAL HA 1 53 TYR H 4.500 . 5.000 3.481 2.956 3.590 . 0 0 "[ . 1 . ]" 3
215 1 52 VAL HB 1 53 TYR H 3.500 . 4.000 3.085 1.888 4.014 0.014 7 0 "[ . 1 . ]" 3
216 1 52 VAL MG1 1 53 TYR H 4.500 . 5.000 3.171 1.837 4.133 . 0 0 "[ . 1 . ]" 3
217 1 52 VAL MG2 1 53 TYR H 4.500 . 5.000 3.551 1.881 4.181 . 0 0 "[ . 1 . ]" 3
218 1 32 ARG QB 1 54 GLY H 4.500 . 5.000 4.348 3.542 4.522 . 0 0 "[ . 1 . ]" 3
219 1 53 TYR HA 1 54 GLY H 3.100 . 3.600 3.303 2.585 3.590 . 0 0 "[ . 1 . ]" 3
220 1 53 TYR HB2 1 54 GLY H 4.500 . 5.000 3.354 2.109 4.638 . 0 0 "[ . 1 . ]" 3
221 1 53 TYR HB3 1 54 GLY H 4.500 . 5.000 3.376 2.083 4.621 . 0 0 "[ . 1 . ]" 3
222 1 54 GLY H 1 55 LEU QD 5.500 . 6.000 3.436 1.880 4.464 . 0 0 "[ . 1 . ]" 3
223 1 54 GLY HA2 1 55 LEU H 4.500 . 5.000 2.834 2.220 3.589 . 0 0 "[ . 1 . ]" 3
224 1 54 GLY HA3 1 55 LEU H 4.500 . 5.000 3.316 2.458 3.587 . 0 0 "[ . 1 . ]" 3
225 1 55 LEU H 1 55 LEU QB 3.100 . 3.600 2.512 1.953 3.278 . 0 0 "[ . 1 . ]" 3
226 1 31 TRP HA 1 56 TYR H 4.500 . 5.000 3.749 3.053 4.176 . 0 0 "[ . 1 . ]" 3
227 1 55 LEU HA 1 56 TYR H 3.100 . 3.600 2.325 2.211 2.595 . 0 0 "[ . 1 . ]" 3
228 1 56 TYR H 1 56 TYR HB2 3.100 . 3.600 2.397 1.985 3.120 . 0 0 "[ . 1 . ]" 3
229 1 56 TYR H 1 56 TYR HB3 3.100 . 3.600 2.775 2.307 3.486 . 0 0 "[ . 1 . ]" 3
230 1 56 TYR HA 1 57 VAL H 4.500 . 5.000 2.273 2.217 2.397 . 0 0 "[ . 1 . ]" 3
231 1 56 TYR HB2 1 57 VAL H 4.500 . 5.000 4.546 4.109 4.696 . 0 0 "[ . 1 . ]" 3
232 1 56 TYR HB3 1 57 VAL H 4.500 . 5.000 4.164 3.340 4.524 . 0 0 "[ . 1 . ]" 3
233 1 57 VAL H 1 57 VAL HB 3.100 . 3.600 2.874 2.228 3.680 0.080 1 0 "[ . 1 . ]" 3
234 1 57 VAL H 1 57 VAL MG1 4.500 . 5.000 2.891 1.840 3.834 . 0 0 "[ . 1 . ]" 3
235 1 57 VAL H 1 57 VAL MG2 4.500 . 5.000 2.881 1.860 3.954 . 0 0 "[ . 1 . ]" 3
236 1 29 GLU HA 1 58 LEU H 4.500 . 5.000 3.692 3.233 4.079 . 0 0 "[ . 1 . ]" 3
237 1 57 VAL HA 1 58 LEU H 2.300 . 2.800 2.248 2.209 2.316 . 0 0 "[ . 1 . ]" 3
238 1 57 VAL MG1 1 58 LEU H 4.500 . 5.000 3.337 2.210 4.128 . 0 0 "[ . 1 . ]" 3
239 1 57 VAL MG2 1 58 LEU H 4.500 . 5.000 3.489 2.172 4.159 . 0 0 "[ . 1 . ]" 3
240 1 58 LEU H 1 58 LEU HB2 3.100 . 3.600 2.881 2.315 3.370 . 0 0 "[ . 1 . ]" 3
241 1 58 LEU H 1 58 LEU HB3 3.100 . 3.600 3.083 2.562 3.605 0.005 12 0 "[ . 1 . ]" 3
242 1 58 LEU HA 1 59 CYS H 2.300 . 2.800 2.256 2.208 2.413 . 0 0 "[ . 1 . ]" 3
243 1 58 LEU QD 1 59 CYS H 5.500 . 6.000 3.137 2.252 3.675 . 0 0 "[ . 1 . ]" 3
244 1 25 TYR HB2 1 60 CYS H 4.500 . 5.000 3.940 2.768 5.019 0.019 2 0 "[ . 1 . ]" 3
245 1 25 TYR HB3 1 60 CYS H 4.500 . 5.000 3.685 2.744 5.014 0.014 4 0 "[ . 1 . ]" 3
246 1 27 PHE HA 1 60 CYS H 4.500 . 5.000 3.587 2.957 3.997 . 0 0 "[ . 1 . ]" 3
247 1 59 CYS HA 1 60 CYS H 2.300 . 2.800 2.269 2.194 2.462 . 0 0 "[ . 1 . ]" 3
248 1 59 CYS HB2 1 60 CYS H 4.500 . 5.000 3.779 2.735 4.437 . 0 0 "[ . 1 . ]" 3
249 1 59 CYS HB3 1 60 CYS H 4.500 . 5.000 3.427 2.766 4.186 . 0 0 "[ . 1 . ]" 3
250 1 60 CYS QB 1 61 THR H 4.500 . 5.000 2.831 1.857 3.580 . 0 0 "[ . 1 . ]" 3
251 1 61 THR H 1 61 THR HA 2.300 . 2.800 2.937 2.908 2.971 0.171 17 0 "[ . 1 . ]" 3
252 1 61 THR H 1 61 THR HB 3.100 . 3.600 3.343 3.143 3.669 0.069 13 0 "[ . 1 . ]" 3
253 1 20 ALA MB 1 62 THR H 3.500 . 4.000 3.183 2.757 3.424 . 0 0 "[ . 1 . ]" 3
254 1 61 THR HA 1 62 THR H 4.500 . 5.000 2.577 2.300 2.836 . 0 0 "[ . 1 . ]" 3
255 1 62 THR H 1 62 THR MG 4.500 . 5.000 3.417 1.989 4.014 . 0 0 "[ . 1 . ]" 3
256 1 62 THR HA 1 63 ASP H 3.100 . 3.600 2.691 2.195 3.599 . 0 0 "[ . 1 . ]" 3
257 1 62 THR HB 1 63 ASP H 4.500 . 5.000 3.424 1.918 4.642 . 0 0 "[ . 1 . ]" 3
258 1 62 THR MG 1 63 ASP H 4.500 . 5.000 2.968 1.758 4.086 0.042 12 0 "[ . 1 . ]" 3
259 1 63 ASP H 1 63 ASP QB 3.100 . 3.600 2.702 2.058 3.105 . 0 0 "[ . 1 . ]" 3
260 1 3 CYS HA 1 64 ASP H 4.000 . 4.500 4.268 2.480 4.562 0.062 16 0 "[ . 1 . ]" 3
261 1 63 ASP HA 1 64 ASP H 3.200 . 3.700 2.272 2.222 2.543 . 0 0 "[ . 1 . ]" 3
262 1 63 ASP HB2 1 64 ASP H 4.500 . 5.000 4.389 3.309 4.685 . 0 0 "[ . 1 . ]" 3
263 1 63 ASP HB3 1 64 ASP H 4.500 . 5.000 4.046 3.579 4.379 . 0 0 "[ . 1 . ]" 3
264 1 60 CYS HB2 1 65 CYS H 5.000 . 5.500 5.147 3.882 5.688 0.188 1 0 "[ . 1 . ]" 3
265 1 60 CYS HB3 1 65 CYS H 5.000 . 5.500 4.722 4.198 5.563 0.063 10 0 "[ . 1 . ]" 3
266 1 64 ASP HA 1 65 CYS H 3.100 . 3.600 3.608 3.595 3.618 0.018 17 0 "[ . 1 . ]" 3
267 1 64 ASP QB 1 65 CYS H 4.500 . 5.000 2.023 1.859 2.149 . 0 0 "[ . 1 . ]" 3
268 1 65 CYS HA 1 66 ASN H 4.500 . 5.000 3.270 2.853 3.522 . 0 0 "[ . 1 . ]" 3
269 1 2 LYS HA 1 18 VAL QG 4.500 . 5.000 2.755 2.112 3.308 . 0 0 "[ . 1 . ]" 3
270 1 4 LYS HA 1 16 LEU QD 4.500 . 5.000 2.506 1.729 2.840 0.071 16 0 "[ . 1 . ]" 3
271 1 6 CYS HB2 1 11 CYS HA 5.000 . 5.500 3.462 1.820 5.563 0.063 5 0 "[ . 1 . ]" 3
272 1 6 CYS HB3 1 11 CYS HA 5.000 . 5.500 3.237 1.860 4.257 . 0 0 "[ . 1 . ]" 3
273 1 12 ARG HA 1 12 ARG HG2 3.100 . 3.600 2.374 2.024 3.687 0.087 6 0 "[ . 1 . ]" 3
274 1 12 ARG HA 1 12 ARG HG3 3.100 . 3.600 3.317 2.520 3.667 0.067 2 0 "[ . 1 . ]" 3
275 1 28 LYS HA 1 41 ARG QG 5.000 . 5.500 3.090 1.997 4.851 . 0 0 "[ . 1 . ]" 3
276 1 30 SER HA 1 31 TRP HE3 5.500 . 6.000 5.597 4.264 6.032 0.032 2 0 "[ . 1 . ]" 3
277 1 35 ARG HA 1 35 ARG QG 3.100 . 3.600 2.318 1.974 3.284 . 0 0 "[ . 1 . ]" 3
278 1 46 THR HA 1 46 THR MG 3.100 . 3.600 2.183 1.915 2.352 . 0 0 "[ . 1 . ]" 3
279 1 47 CYS HA 1 48 PRO HD2 3.100 . 3.600 2.166 2.012 2.528 . 0 0 "[ . 1 . ]" 3
280 1 47 CYS HA 1 48 PRO HD3 3.100 . 3.600 2.779 2.377 3.212 . 0 0 "[ . 1 . ]" 3
281 1 60 CYS HA 1 61 THR MG 4.500 . 5.000 3.565 2.966 4.020 . 0 0 "[ . 1 . ]" 3
282 1 3 CYS QB 1 26 CYS QB 5.500 . 6.000 3.732 3.304 4.150 . 0 0 "[ . 1 . ]" 3
283 1 6 CYS QB 1 11 CYS QB 5.000 . 5.500 3.138 1.770 4.229 0.030 5 0 "[ . 1 . ]" 3
284 1 19 CYS QB 1 43 CYS QB 5.000 . 5.500 2.948 1.893 4.283 . 0 0 "[ . 1 . ]" 3
285 1 25 TYR HB2 1 25 TYR QD 3.100 . 3.600 2.534 2.359 2.771 . 0 0 "[ . 1 . ]" 3
286 1 25 TYR HB3 1 25 TYR QD 3.100 . 3.600 2.486 2.301 2.783 . 0 0 "[ . 1 . ]" 3
287 1 25 TYR QD 1 59 CYS HB2 4.500 . 5.000 3.506 1.888 4.692 . 0 0 "[ . 1 . ]" 3
288 1 25 TYR QD 1 59 CYS HB3 4.500 . 5.000 3.260 1.948 3.848 . 0 0 "[ . 1 . ]" 3
289 1 27 PHE HB2 1 27 PHE QD 3.100 . 3.600 2.493 2.303 2.785 . 0 0 "[ . 1 . ]" 3
290 1 27 PHE HB3 1 27 PHE QD 3.100 . 3.600 2.428 2.347 2.617 . 0 0 "[ . 1 . ]" 3
291 1 30 SER HB2 1 39 ILE HB 4.500 . 5.000 4.417 3.333 5.009 0.009 3 0 "[ . 1 . ]" 3
292 1 30 SER HB2 1 39 ILE MD 4.500 . 5.000 3.714 3.097 4.117 . 0 0 "[ . 1 . ]" 3
293 1 30 SER HB3 1 39 ILE QG 4.500 . 5.000 3.848 3.045 4.185 . 0 0 "[ . 1 . ]" 3
294 1 30 SER HB2 1 56 TYR QD 4.500 . 5.000 4.111 3.101 4.829 . 0 0 "[ . 1 . ]" 3
295 1 30 SER HB3 1 56 TYR QD 4.500 . 5.000 3.490 2.079 4.451 . 0 0 "[ . 1 . ]" 3
296 1 47 CYS QB 1 59 CYS QB 5.000 . 5.500 3.428 1.844 4.206 . 0 0 "[ . 1 . ]" 3
297 1 56 TYR HB2 1 56 TYR QD 3.100 . 3.600 2.526 2.302 2.784 . 0 0 "[ . 1 . ]" 3
298 1 56 TYR HB3 1 56 TYR QD 3.100 . 3.600 2.454 2.299 2.784 . 0 0 "[ . 1 . ]" 3
299 1 60 CYS QB 1 65 CYS QB 4.500 . 5.000 2.274 1.745 3.702 0.055 9 0 "[ . 1 . ]" 3
300 1 5 ILE HA 1 42 GLY H 6.500 . 7.000 5.608 4.478 6.897 . 0 0 "[ . 1 . ]" 3
301 1 5 ILE QG 1 42 GLY H 6.500 . 7.000 3.975 2.822 4.971 . 0 0 "[ . 1 . ]" 3
302 1 1 MET ME 1 61 THR HA 5.500 . 6.000 4.713 4.329 5.088 . 0 0 "[ . 1 . ]" 3
303 1 3 CYS HB3 1 43 CYS HA 6.500 . 7.000 6.166 5.036 6.876 . 0 0 "[ . 1 . ]" 3
304 1 3 CYS HB2 1 43 CYS HA 6.500 . 7.000 6.312 5.240 6.954 . 0 0 "[ . 1 . ]" 3
305 1 5 ILE QG 1 42 GLY HA3 6.000 2.300 6.500 5.276 4.468 5.712 . 0 0 "[ . 1 . ]" 3
306 1 5 ILE QG 1 42 GLY HA2 6.000 2.300 6.500 3.919 3.018 4.550 . 0 0 "[ . 1 . ]" 3
307 1 9 ASP HA 1 39 ILE MD 5.500 . 6.000 4.785 3.233 5.044 . 0 0 "[ . 1 . ]" 3
308 1 7 ASN HA 1 39 ILE MD 5.000 . 5.500 4.081 3.311 4.448 . 0 0 "[ . 1 . ]" 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 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 .
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 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 6 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 11 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 19 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 26 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 43 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 47 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 59 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 60 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 65 CYS 0.000 0.000 . 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 CYS SG 1 26 CYS SG 2.100 . 2.300 2.021 2.019 2.023 . 0 0 "[ . 1 . ]" 4
2 1 6 CYS SG 1 11 CYS SG 2.100 . 2.300 2.020 2.019 2.022 . 0 0 "[ . 1 . ]" 4
3 1 19 CYS SG 1 43 CYS SG 2.100 . 2.300 2.020 2.019 2.021 . 0 0 "[ . 1 . ]" 4
4 1 47 CYS SG 1 59 CYS SG 2.100 . 2.300 2.020 2.019 2.021 . 0 0 "[ . 1 . ]" 4
5 1 60 CYS SG 1 65 CYS SG 2.100 . 2.300 2.019 2.016 2.022 . 0 0 "[ . 1 . ]" 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 32
_Distance_constraint_stats_list.Viol_count 177
_Distance_constraint_stats_list.Viol_total 60.297
_Distance_constraint_stats_list.Viol_max 0.081
_Distance_constraint_stats_list.Viol_rms 0.0113
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0052
_Distance_constraint_stats_list.Viol_average_violations_only 0.0179
_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 CYS 0.284 0.041 14 0 "[ . 1 . ]"
1 5 ILE 0.812 0.081 5 0 "[ . 1 . ]"
1 15 GLU 0.812 0.081 5 0 "[ . 1 . ]"
1 17 LYS 0.284 0.041 14 0 "[ . 1 . ]"
1 25 TYR 0.282 0.036 17 0 "[ . 1 . ]"
1 26 CYS 0.873 0.065 17 0 "[ . 1 . ]"
1 28 LYS 0.322 0.043 15 0 "[ . 1 . ]"
1 29 GLU 0.096 0.015 4 0 "[ . 1 . ]"
1 30 SER 0.213 0.031 19 0 "[ . 1 . ]"
1 31 TRP 0.290 0.030 16 0 "[ . 1 . ]"
1 38 ARG 0.290 0.030 16 0 "[ . 1 . ]"
1 40 GLU 0.096 0.015 4 0 "[ . 1 . ]"
1 44 ALA 0.282 0.036 17 0 "[ . 1 . ]"
1 56 TYR 0.213 0.031 19 0 "[ . 1 . ]"
1 58 LEU 0.322 0.043 15 0 "[ . 1 . ]"
1 60 CYS 0.873 0.065 17 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 CYS O 1 17 LYS H 1.900 . 2.000 1.950 1.850 2.033 0.033 5 0 "[ . 1 . ]" 5
2 1 5 ILE O 1 15 GLU H 1.900 . 2.000 2.026 1.934 2.081 0.081 5 0 "[ . 1 . ]" 5
3 1 25 TYR O 1 44 ALA H 1.900 . 2.000 1.930 1.798 2.036 0.036 17 0 "[ . 1 . ]" 5
4 1 26 CYS O 1 60 CYS H 1.900 . 2.000 2.002 1.868 2.037 0.037 7 0 "[ . 1 . ]" 5
5 1 28 LYS O 1 58 LEU H 1.900 . 2.000 2.010 1.943 2.043 0.043 15 0 "[ . 1 . ]" 5
6 1 29 GLU O 1 40 GLU H 1.900 . 2.000 1.887 1.793 2.003 0.007 5 0 "[ . 1 . ]" 5
7 1 30 SER O 1 56 TYR H 1.900 . 2.000 1.942 1.819 2.021 0.021 6 0 "[ . 1 . ]" 5
8 1 31 TRP O 1 38 ARG H 1.900 . 2.000 1.977 1.875 2.030 0.030 16 0 "[ . 1 . ]" 5
9 1 3 CYS O 1 17 LYS N 2.900 2.700 3.000 2.836 2.683 2.937 0.017 16 0 "[ . 1 . ]" 5
10 1 5 ILE O 1 15 GLU N 2.900 2.700 3.000 2.841 2.695 2.956 0.005 19 0 "[ . 1 . ]" 5
11 1 25 TYR O 1 44 ALA N 2.900 2.700 3.000 2.827 2.717 3.009 0.009 10 0 "[ . 1 . ]" 5
12 1 26 CYS O 1 60 CYS N 2.900 2.700 3.000 2.869 2.723 2.981 . 0 0 "[ . 1 . ]" 5
13 1 28 LYS O 1 58 LEU N 2.900 2.700 3.000 2.850 2.703 2.958 . 0 0 "[ . 1 . ]" 5
14 1 29 GLU O 1 40 GLU N 2.900 2.700 3.000 2.785 2.691 2.916 0.009 16 0 "[ . 1 . ]" 5
15 1 30 SER O 1 56 TYR N 2.900 2.700 3.000 2.859 2.681 2.992 0.019 17 0 "[ . 1 . ]" 5
16 1 31 TRP O 1 38 ARG N 2.900 2.700 3.000 2.904 2.822 3.005 0.005 16 0 "[ . 1 . ]" 5
17 1 3 CYS H 1 17 LYS O 1.900 . 2.000 1.958 1.801 2.041 0.041 14 0 "[ . 1 . ]" 5
18 1 5 ILE H 1 15 GLU O 1.900 . 2.000 1.960 1.860 2.030 0.030 5 0 "[ . 1 . ]" 5
19 1 25 TYR H 1 44 ALA O 1.900 . 2.000 1.972 1.786 2.033 0.033 5 0 "[ . 1 . ]" 5
20 1 26 CYS H 1 60 CYS O 1.900 . 2.000 2.028 2.001 2.065 0.065 17 0 "[ . 1 . ]" 5
21 1 28 LYS H 1 58 LEU O 1.900 . 2.000 1.866 1.787 1.985 0.013 15 0 "[ . 1 . ]" 5
22 1 29 GLU H 1 40 GLU O 1.900 . 2.000 1.909 1.786 2.015 0.015 4 0 "[ . 1 . ]" 5
23 1 30 SER H 1 56 TYR O 1.900 . 2.000 1.953 1.839 2.017 0.017 19 0 "[ . 1 . ]" 5
24 1 31 TRP H 1 38 ARG O 1.900 . 2.000 1.935 1.788 2.021 0.021 16 0 "[ . 1 . ]" 5
25 1 3 CYS N 1 17 LYS O 2.900 2.700 3.000 2.828 2.699 2.931 0.001 5 0 "[ . 1 . ]" 5
26 1 5 ILE N 1 15 GLU O 2.900 2.700 3.000 2.752 2.640 2.848 0.060 9 0 "[ . 1 . ]" 5
27 1 25 TYR N 1 44 ALA O 2.900 2.700 3.000 2.818 2.679 3.004 0.021 2 0 "[ . 1 . ]" 5
28 1 26 CYS N 1 60 CYS O 2.900 2.700 3.000 2.818 2.653 2.987 0.047 8 0 "[ . 1 . ]" 5
29 1 28 LYS N 1 58 LEU O 2.900 2.700 3.000 2.778 2.691 2.920 0.009 14 0 "[ . 1 . ]" 5
30 1 29 GLU N 1 40 GLU O 2.900 2.700 3.000 2.821 2.717 2.992 . 0 0 "[ . 1 . ]" 5
31 1 30 SER N 1 56 TYR O 2.900 2.700 3.000 2.781 2.669 2.905 0.031 19 0 "[ . 1 . ]" 5
32 1 31 TRP N 1 38 ARG O 2.900 2.700 3.000 2.750 2.679 2.984 0.021 6 0 "[ . 1 . ]" 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 15
_Distance_constraint_stats_list.Viol_count 33
_Distance_constraint_stats_list.Viol_total 80.183
_Distance_constraint_stats_list.Viol_max 0.257
_Distance_constraint_stats_list.Viol_rms 0.0517
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0148
_Distance_constraint_stats_list.Viol_average_violations_only 0.1279
_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 7 ASN 0.119 0.080 3 0 "[ . 1 . ]"
1 8 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 9 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 10 THR 0.119 0.080 3 0 "[ . 1 . ]"
1 13 ALA 0.101 0.049 5 0 "[ . 1 . ]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 15 GLU 0.101 0.049 5 0 "[ . 1 . ]"
1 34 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 36 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 45 ALA 0.068 0.059 11 0 "[ . 1 . ]"
1 46 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 47 CYS 0.068 0.059 11 0 "[ . 1 . ]"
1 64 ASP 3.902 0.257 4 0 "[ . 1 . ]"
1 65 CYS 3.932 0.257 4 0 "[ . 1 . ]"
1 66 ASN 0.031 0.023 18 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 ASN O 1 10 THR H 3.400 . 3.600 2.807 2.288 3.680 0.080 3 0 "[ . 1 . ]" 6
2 1 7 ASN O 1 10 THR N 4.400 . 4.600 3.548 3.074 4.639 0.039 3 0 "[ . 1 . ]" 6
3 1 8 PHE CA 1 10 THR H 3.300 . 3.800 3.358 3.211 3.729 . 0 0 "[ . 1 . ]" 6
4 1 8 PHE CA 1 9 ASP H 2.200 . 2.700 2.550 2.545 2.556 . 0 0 "[ . 1 . ]" 6
5 1 9 ASP N 1 10 THR H 3.400 . 3.900 2.368 2.206 2.608 . 0 0 "[ . 1 . ]" 6
6 1 13 ALA CA 1 15 GLU H 3.600 . 4.100 3.959 3.639 4.149 0.049 5 0 "[ . 1 . ]" 6
7 1 13 ALA CA 1 14 GLY H 2.200 . 2.700 2.552 2.541 2.556 . 0 0 "[ . 1 . ]" 6
8 1 14 GLY N 1 15 GLU H 3.400 . 3.900 2.452 2.341 2.480 . 0 0 "[ . 1 . ]" 6
9 1 34 ALA CA 1 36 GLY H 5.000 . 5.500 3.709 3.238 4.067 . 0 0 "[ . 1 . ]" 6
10 1 45 ALA CA 1 47 CYS H 5.000 . 5.500 4.616 3.730 5.559 0.059 11 0 "[ . 1 . ]" 6
11 1 45 ALA CA 1 46 THR H 2.200 . 2.700 2.553 2.547 2.565 . 0 0 "[ . 1 . ]" 6
12 1 46 THR N 1 47 CYS H 3.400 . 3.900 2.851 2.244 3.691 . 0 0 "[ . 1 . ]" 6
13 1 64 ASP H 1 65 CYS H 5.000 4.200 5.500 3.995 3.943 4.018 0.257 4 0 "[ . 1 . ]" 6
14 1 64 ASP CA 1 66 ASN H 3.600 . 4.100 3.409 3.242 4.082 . 0 0 "[ . 1 . ]" 6
15 1 65 CYS H 1 66 ASN H 2.400 . 2.900 2.664 1.992 2.923 0.023 18 0 "[ . 1 . ]" 6
stop_
save_
Contact the webmaster for help, if required. Saturday, June 1, 2024 3:17:11 AM GMT (wattos1)