NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
369386 |
1bbl   |
2546 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1bbl
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 199
_Distance_constraint_stats_list.Viol_count 1
_Distance_constraint_stats_list.Viol_total 0.174
_Distance_constraint_stats_list.Viol_max 0.174
_Distance_constraint_stats_list.Viol_rms 0.0123
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0009
_Distance_constraint_stats_list.Viol_average_violations_only 0.1740
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 12 LEU 0.000 0.000 . 0 "[ ]"
1 13 SER 0.000 0.000 . 0 "[ ]"
1 14 PRO 0.000 0.000 . 0 "[ ]"
1 15 ALA 0.000 0.000 . 0 "[ ]"
1 16 ILE 0.000 0.000 . 0 "[ ]"
1 17 ARG 0.174 0.174 1 0 "[ ]"
1 18 ARG 0.000 0.000 . 0 "[ ]"
1 19 LEU 0.000 0.000 . 0 "[ ]"
1 20 LEU 0.000 0.000 . 0 "[ ]"
1 21 ALA 0.000 0.000 . 0 "[ ]"
1 22 GLU 0.000 0.000 . 0 "[ ]"
1 23 HIS 0.000 0.000 . 0 "[ ]"
1 24 ASN 0.000 0.000 . 0 "[ ]"
1 25 LEU 0.000 0.000 . 0 "[ ]"
1 26 ASP 0.000 0.000 . 0 "[ ]"
1 27 ALA 0.000 0.000 . 0 "[ ]"
1 28 SER 0.000 0.000 . 0 "[ ]"
1 29 ALA 0.000 0.000 . 0 "[ ]"
1 30 ILE 0.000 0.000 . 0 "[ ]"
1 31 LYS 0.000 0.000 . 0 "[ ]"
1 32 GLY 0.000 0.000 . 0 "[ ]"
1 33 THR 0.000 0.000 . 0 "[ ]"
1 34 GLY 0.000 0.000 . 0 "[ ]"
1 35 VAL 0.000 0.000 . 0 "[ ]"
1 36 GLY 0.000 0.000 . 0 "[ ]"
1 37 GLY 0.000 0.000 . 0 "[ ]"
1 38 ARG 0.000 0.000 . 0 "[ ]"
1 39 LEU 0.000 0.000 . 0 "[ ]"
1 40 THR 0.000 0.000 . 0 "[ ]"
1 41 ARG 0.000 0.000 . 0 "[ ]"
1 42 GLU 0.000 0.000 . 0 "[ ]"
1 43 ASP 0.000 0.000 . 0 "[ ]"
1 44 VAL 0.000 0.000 . 0 "[ ]"
1 45 GLU 0.000 0.000 . 0 "[ ]"
1 46 LYS 0.000 0.000 . 0 "[ ]"
1 47 HIS 0.000 0.000 . 0 "[ ]"
1 48 LEU 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 12 LEU H 1 12 LEU HB3 4.000 . 5.000 3.626 3.626 3.626 . 0 0 "[ ]" 1
2 1 12 LEU H 1 12 LEU HB2 3.000 . 3.300 2.797 2.797 2.797 . 0 0 "[ ]" 1
3 1 12 LEU H 1 12 LEU HG 4.000 . 5.000 1.831 1.831 1.831 . 0 0 "[ ]" 1
4 1 12 LEU H 1 12 LEU QD 4.000 . 7.400 2.467 2.467 2.467 . 0 0 "[ ]" 1
5 1 12 LEU HA 1 12 LEU HB3 3.000 . 3.300 2.341 2.341 2.341 . 0 0 "[ ]" 1
6 1 12 LEU HA 1 12 LEU HB2 3.000 . 3.300 3.002 3.002 3.002 . 0 0 "[ ]" 1
7 1 12 LEU HA 1 12 LEU HG 4.000 . 5.000 3.413 3.413 3.413 . 0 0 "[ ]" 1
8 1 12 LEU HA 1 12 LEU QD 3.000 . 5.700 2.164 2.164 2.164 . 0 0 "[ ]" 1
9 1 13 SER H 1 13 SER QB 3.000 . 4.300 2.663 2.663 2.663 . 0 0 "[ ]" 1
10 1 13 SER HA 1 13 SER HB3 3.000 . 3.300 2.848 2.848 2.848 . 0 0 "[ ]" 1
11 1 13 SER HA 1 13 SER HB2 3.000 . 3.300 2.865 2.865 2.865 . 0 0 "[ ]" 1
12 1 14 PRO HA 1 14 PRO HB3 3.000 . 3.300 2.265 2.265 2.265 . 0 0 "[ ]" 1
13 1 15 ALA H 1 15 ALA HA 3.000 . 3.300 2.972 2.972 2.972 . 0 0 "[ ]" 1
14 1 15 ALA H 1 15 ALA MB 3.000 . 4.800 2.354 2.354 2.354 . 0 0 "[ ]" 1
15 1 16 ILE H 1 16 ILE HB 2.500 . 2.800 2.440 2.440 2.440 . 0 0 "[ ]" 1
16 1 16 ILE H 1 16 ILE HG13 4.000 . 5.000 4.383 4.383 4.383 . 0 0 "[ ]" 1
17 1 16 ILE H 1 16 ILE HG12 4.000 . 5.000 4.564 4.564 4.564 . 0 0 "[ ]" 1
18 1 16 ILE H 1 16 ILE MG 4.000 . 6.500 2.273 2.273 2.273 . 0 0 "[ ]" 1
19 1 16 ILE H 1 16 ILE MD 4.000 . 6.500 4.308 4.308 4.308 . 0 0 "[ ]" 1
20 1 16 ILE HA 1 16 ILE HB 3.000 . 3.300 2.549 2.549 2.549 . 0 0 "[ ]" 1
21 1 16 ILE HA 1 16 ILE HG13 3.000 . 3.300 2.341 2.341 2.341 . 0 0 "[ ]" 1
22 1 16 ILE HA 1 16 ILE HG12 4.000 . 5.000 2.953 2.953 2.953 . 0 0 "[ ]" 1
23 1 16 ILE HA 1 16 ILE MG 3.000 . 4.800 3.185 3.185 3.185 . 0 0 "[ ]" 1
24 1 16 ILE HA 1 16 ILE MD 3.000 . 4.800 3.715 3.715 3.715 . 0 0 "[ ]" 1
25 1 16 ILE HB 1 16 ILE MD 3.000 . 4.800 2.303 2.303 2.303 . 0 0 "[ ]" 1
26 1 17 ARG H 1 17 ARG HB3 4.000 . 5.000 3.619 3.619 3.619 . 0 0 "[ ]" 1
27 1 17 ARG H 1 17 ARG HB2 3.000 . 3.300 2.493 2.493 2.493 . 0 0 "[ ]" 1
28 1 17 ARG H 1 17 ARG QG 4.000 . 6.000 2.131 2.131 2.131 . 0 0 "[ ]" 1
29 1 17 ARG HA 1 17 ARG HB3 3.000 . 3.300 2.487 2.487 2.487 . 0 0 "[ ]" 1
30 1 17 ARG HA 1 17 ARG HB2 3.000 . 3.300 3.029 3.029 3.029 . 0 0 "[ ]" 1
31 1 17 ARG HA 1 17 ARG QG 3.000 . 4.300 2.326 2.326 2.326 . 0 0 "[ ]" 1
32 1 17 ARG HA 1 17 ARG HD3 5.000 2.500 6.000 4.214 4.214 4.214 . 0 0 "[ ]" 1
33 1 17 ARG HA 1 17 ARG HD2 5.000 2.500 6.000 4.623 4.623 4.623 . 0 0 "[ ]" 1
34 1 17 ARG HB3 1 17 ARG HD3 4.000 . 5.000 2.465 2.465 2.465 . 0 0 "[ ]" 1
35 1 17 ARG HB2 1 17 ARG HD3 4.000 . 5.000 3.150 3.150 3.150 . 0 0 "[ ]" 1
36 1 17 ARG HB3 1 17 ARG HD2 4.000 . 5.000 2.966 2.966 2.966 . 0 0 "[ ]" 1
37 1 17 ARG HB2 1 17 ARG HD2 4.000 . 5.000 2.546 2.546 2.546 . 0 0 "[ ]" 1
38 1 17 ARG HB2 1 17 ARG HE 4.000 . 5.000 4.395 4.395 4.395 . 0 0 "[ ]" 1
39 1 17 ARG HE 1 17 ARG QG 5.000 2.500 7.000 2.326 2.326 2.326 0.174 1 0 "[ ]" 1
40 1 18 ARG H 1 18 ARG HB3 4.000 . 5.000 3.627 3.627 3.627 . 0 0 "[ ]" 1
41 1 18 ARG H 1 18 ARG HB2 3.000 . 3.300 2.566 2.566 2.566 . 0 0 "[ ]" 1
42 1 18 ARG H 1 18 ARG QG 4.000 . 6.000 2.277 2.277 2.277 . 0 0 "[ ]" 1
43 1 18 ARG HA 1 18 ARG HB3 3.000 . 3.300 2.438 2.438 2.438 . 0 0 "[ ]" 1
44 1 18 ARG HA 1 18 ARG HB2 3.000 . 3.300 3.028 3.028 3.028 . 0 0 "[ ]" 1
45 1 18 ARG HA 1 18 ARG QD 4.000 . 6.000 3.209 3.209 3.209 . 0 0 "[ ]" 1
46 1 18 ARG HB2 1 18 ARG QD 3.000 . 4.300 2.922 2.922 2.922 . 0 0 "[ ]" 1
47 1 19 LEU H 1 19 LEU HA 3.000 . 3.300 2.875 2.875 2.875 . 0 0 "[ ]" 1
48 1 19 LEU H 1 19 LEU HB3 3.000 . 3.300 2.788 2.788 2.788 . 0 0 "[ ]" 1
49 1 19 LEU H 1 19 LEU HB2 3.000 . 3.300 2.354 2.354 2.354 . 0 0 "[ ]" 1
50 1 19 LEU H 1 19 LEU MD2 4.000 . 6.500 4.372 4.372 4.372 . 0 0 "[ ]" 1
51 1 19 LEU HA 1 19 LEU HB3 3.000 . 3.300 3.011 3.011 3.011 . 0 0 "[ ]" 1
52 1 19 LEU HA 1 19 LEU HB2 3.000 . 3.300 2.595 2.595 2.595 . 0 0 "[ ]" 1
53 1 19 LEU HA 1 19 LEU MD1 3.000 . 4.800 2.354 2.354 2.354 . 0 0 "[ ]" 1
54 1 19 LEU HA 1 19 LEU MD2 4.000 . 6.500 3.751 3.751 3.751 . 0 0 "[ ]" 1
55 1 19 LEU HB3 1 19 LEU MD1 3.000 . 4.800 3.127 3.127 3.127 . 0 0 "[ ]" 1
56 1 19 LEU HB3 1 19 LEU MD2 3.000 . 4.800 2.187 2.187 2.187 . 0 0 "[ ]" 1
57 1 19 LEU HB2 1 19 LEU MD1 3.000 . 4.800 2.181 2.181 2.181 . 0 0 "[ ]" 1
58 1 19 LEU HB2 1 19 LEU MD2 3.000 . 4.800 2.652 2.652 2.652 . 0 0 "[ ]" 1
59 1 20 LEU H 1 20 LEU QB 3.000 . 4.300 2.321 2.321 2.321 . 0 0 "[ ]" 1
60 1 20 LEU H 1 20 LEU HG 4.000 . 5.000 2.672 2.672 2.672 . 0 0 "[ ]" 1
61 1 20 LEU H 1 20 LEU MD1 4.000 . 6.500 3.182 3.182 3.182 . 0 0 "[ ]" 1
62 1 20 LEU H 1 20 LEU MD2 4.000 . 6.500 4.024 4.024 4.024 . 0 0 "[ ]" 1
63 1 20 LEU HA 1 20 LEU HG 4.000 . 5.000 2.498 2.498 2.498 . 0 0 "[ ]" 1
64 1 20 LEU HA 1 20 LEU MD1 4.000 . 6.500 3.789 3.789 3.789 . 0 0 "[ ]" 1
65 1 20 LEU HA 1 20 LEU MD2 3.000 . 4.800 2.296 2.296 2.296 . 0 0 "[ ]" 1
66 1 21 ALA H 1 21 ALA HA 3.000 . 3.300 2.947 2.947 2.947 . 0 0 "[ ]" 1
67 1 21 ALA H 1 21 ALA MB 3.000 . 4.800 2.308 2.308 2.308 . 0 0 "[ ]" 1
68 1 22 GLU H 1 22 GLU HA 3.000 . 3.300 2.947 2.947 2.947 . 0 0 "[ ]" 1
69 1 22 GLU H 1 22 GLU HB3 3.000 . 3.300 2.459 2.459 2.459 . 0 0 "[ ]" 1
70 1 22 GLU H 1 22 GLU HB2 4.000 . 5.000 2.789 2.789 2.789 . 0 0 "[ ]" 1
71 1 22 GLU H 1 22 GLU QG 4.000 . 6.000 3.979 3.979 3.979 . 0 0 "[ ]" 1
72 1 22 GLU HA 1 22 GLU HB3 3.000 . 3.300 3.029 3.029 3.029 . 0 0 "[ ]" 1
73 1 22 GLU HA 1 22 GLU HB2 3.000 . 3.300 2.445 2.445 2.445 . 0 0 "[ ]" 1
74 1 22 GLU HA 1 22 GLU QG 3.000 . 4.300 2.323 2.323 2.323 . 0 0 "[ ]" 1
75 1 23 HIS H 1 23 HIS HB3 4.000 . 5.000 3.709 3.709 3.709 . 0 0 "[ ]" 1
76 1 23 HIS H 1 23 HIS HB2 3.000 . 3.300 2.712 2.712 2.712 . 0 0 "[ ]" 1
77 1 23 HIS H 1 23 HIS HD2 4.000 . 5.000 3.435 3.435 3.435 . 0 0 "[ ]" 1
78 1 23 HIS HA 1 23 HIS HB3 2.500 . 2.800 2.370 2.370 2.370 . 0 0 "[ ]" 1
79 1 23 HIS HA 1 23 HIS HB2 3.000 . 3.300 3.016 3.016 3.016 . 0 0 "[ ]" 1
80 1 23 HIS HA 1 23 HIS HD2 4.000 . 5.000 4.815 4.815 4.815 . 0 0 "[ ]" 1
81 1 23 HIS HB3 1 23 HIS HD2 4.000 . 5.000 3.671 3.671 3.671 . 0 0 "[ ]" 1
82 1 23 HIS HB2 1 23 HIS HD2 4.000 . 5.000 2.722 2.722 2.722 . 0 0 "[ ]" 1
83 1 23 HIS HA 1 23 HIS HE1 5.000 2.500 6.000 4.792 4.792 4.792 . 0 0 "[ ]" 1
84 1 23 HIS HB3 1 23 HIS HE1 5.000 2.500 6.000 4.839 4.839 4.839 . 0 0 "[ ]" 1
85 1 24 ASN H 1 24 ASN HA 2.500 . 2.800 2.355 2.355 2.355 . 0 0 "[ ]" 1
86 1 24 ASN H 1 24 ASN HB3 4.000 . 5.000 4.074 4.074 4.074 . 0 0 "[ ]" 1
87 1 24 ASN H 1 24 ASN HB2 4.000 . 5.000 3.146 3.146 3.146 . 0 0 "[ ]" 1
88 1 24 ASN HA 1 24 ASN HB3 3.000 . 3.300 2.745 2.745 2.745 . 0 0 "[ ]" 1
89 1 24 ASN HA 1 24 ASN HB2 3.000 . 3.300 2.943 2.943 2.943 . 0 0 "[ ]" 1
90 1 25 LEU H 1 25 LEU HB3 4.000 . 5.000 3.793 3.793 3.793 . 0 0 "[ ]" 1
91 1 25 LEU H 1 25 LEU HB2 3.000 . 3.300 2.698 2.698 2.698 . 0 0 "[ ]" 1
92 1 25 LEU H 1 25 LEU HG 4.000 . 5.000 3.526 3.526 3.526 . 0 0 "[ ]" 1
93 1 25 LEU H 1 25 LEU MD1 4.000 . 6.500 4.267 4.267 4.267 . 0 0 "[ ]" 1
94 1 25 LEU H 1 25 LEU MD2 4.000 . 6.500 4.278 4.278 4.278 . 0 0 "[ ]" 1
95 1 25 LEU HA 1 25 LEU HB3 3.000 . 4.300 2.620 2.620 2.620 . 0 0 "[ ]" 1
96 1 25 LEU HA 1 25 LEU HB2 3.000 . 4.300 3.007 3.007 3.007 . 0 0 "[ ]" 1
97 1 25 LEU HA 1 25 LEU MD1 4.000 . 6.500 3.771 3.771 3.771 . 0 0 "[ ]" 1
98 1 25 LEU HA 1 25 LEU MD2 3.000 . 4.800 2.155 2.155 2.155 . 0 0 "[ ]" 1
99 1 25 LEU HB2 1 25 LEU MD1 3.000 . 4.800 2.280 2.280 2.280 . 0 0 "[ ]" 1
100 1 25 LEU HB2 1 25 LEU MD2 3.000 . 4.800 3.198 3.198 3.198 . 0 0 "[ ]" 1
101 1 25 LEU HB3 1 25 LEU MD1 3.000 . 4.800 2.456 2.456 2.456 . 0 0 "[ ]" 1
102 1 25 LEU HB3 1 25 LEU MD2 3.000 . 4.800 2.232 2.232 2.232 . 0 0 "[ ]" 1
103 1 26 ASP H 1 26 ASP HB3 4.000 . 5.000 3.616 3.616 3.616 . 0 0 "[ ]" 1
104 1 26 ASP H 1 26 ASP HB2 4.000 . 5.000 2.346 2.346 2.346 . 0 0 "[ ]" 1
105 1 26 ASP HA 1 26 ASP HB3 3.000 . 3.300 2.559 2.559 2.559 . 0 0 "[ ]" 1
106 1 26 ASP HA 1 26 ASP HB2 3.000 . 3.300 3.020 3.020 3.020 . 0 0 "[ ]" 1
107 1 27 ALA H 1 27 ALA MB 3.000 . 4.800 2.064 2.064 2.064 . 0 0 "[ ]" 1
108 1 28 SER H 1 28 SER QB 3.000 . 4.300 2.435 2.435 2.435 . 0 0 "[ ]" 1
109 1 28 SER HA 1 28 SER HB3 3.000 . 3.300 2.508 2.508 2.508 . 0 0 "[ ]" 1
110 1 28 SER HA 1 28 SER HB2 3.000 . 3.300 3.037 3.037 3.037 . 0 0 "[ ]" 1
111 1 29 ALA H 1 29 ALA MB 3.000 . 4.800 2.283 2.283 2.283 . 0 0 "[ ]" 1
112 1 30 ILE H 1 30 ILE HB 3.000 . 3.300 2.599 2.599 2.599 . 0 0 "[ ]" 1
113 1 30 ILE H 1 30 ILE HG13 4.000 . 5.000 3.777 3.777 3.777 . 0 0 "[ ]" 1
114 1 30 ILE H 1 30 ILE HG12 4.000 . 5.000 2.283 2.283 2.283 . 0 0 "[ ]" 1
115 1 30 ILE H 1 30 ILE MG 4.000 . 6.500 3.849 3.849 3.849 . 0 0 "[ ]" 1
116 1 30 ILE HA 1 30 ILE HG13 4.000 . 5.000 3.753 3.753 3.753 . 0 0 "[ ]" 1
117 1 30 ILE HA 1 30 ILE HG12 3.000 . 3.300 3.246 3.246 3.246 . 0 0 "[ ]" 1
118 1 30 ILE HA 1 30 ILE MG 3.000 . 4.800 2.227 2.227 2.227 . 0 0 "[ ]" 1
119 1 30 ILE HA 1 30 ILE MD 4.000 . 6.500 2.090 2.090 2.090 . 0 0 "[ ]" 1
120 1 31 LYS H 1 31 LYS QB 3.000 . 4.300 2.486 2.486 2.486 . 0 0 "[ ]" 1
121 1 32 GLY H 1 32 GLY QA 2.500 . 3.800 2.313 2.313 2.313 . 0 0 "[ ]" 1
122 1 33 THR H 1 33 THR MG 4.000 . 6.500 2.315 2.315 2.315 . 0 0 "[ ]" 1
123 1 33 THR HA 1 33 THR HB 3.000 . 3.300 2.540 2.540 2.540 . 0 0 "[ ]" 1
124 1 33 THR HA 1 33 THR MG 3.000 . 4.800 2.443 2.443 2.443 . 0 0 "[ ]" 1
125 1 34 GLY H 1 34 GLY QA 2.500 . 3.800 2.246 2.246 2.246 . 0 0 "[ ]" 1
126 1 35 VAL H 1 35 VAL HB 3.000 . 3.300 2.550 2.550 2.550 . 0 0 "[ ]" 1
127 1 35 VAL H 1 35 VAL MG1 4.000 . 6.500 3.777 3.777 3.777 . 0 0 "[ ]" 1
128 1 35 VAL H 1 35 VAL MG2 3.000 . 4.800 2.032 2.032 2.032 . 0 0 "[ ]" 1
129 1 35 VAL HA 1 35 VAL HB 3.000 . 3.300 3.031 3.031 3.031 . 0 0 "[ ]" 1
130 1 35 VAL HA 1 35 VAL MG1 3.000 . 4.800 2.274 2.274 2.274 . 0 0 "[ ]" 1
131 1 35 VAL HA 1 35 VAL MG2 3.000 . 4.800 2.359 2.359 2.359 . 0 0 "[ ]" 1
132 1 36 GLY H 1 36 GLY QA 2.500 . 3.800 2.413 2.413 2.413 . 0 0 "[ ]" 1
133 1 37 GLY H 1 37 GLY HA3 3.000 . 3.300 2.943 2.943 2.943 . 0 0 "[ ]" 1
134 1 37 GLY H 1 37 GLY HA2 2.500 . 2.800 2.386 2.386 2.386 . 0 0 "[ ]" 1
135 1 38 ARG H 1 38 ARG QG 4.000 . 6.000 2.852 2.852 2.852 . 0 0 "[ ]" 1
136 1 38 ARG HA 1 38 ARG QD 4.000 . 6.000 4.060 4.060 4.060 . 0 0 "[ ]" 1
137 1 38 ARG QB 1 38 ARG HE 4.000 . 6.000 2.167 2.167 2.167 . 0 0 "[ ]" 1
138 1 39 LEU H 1 39 LEU HB3 3.000 . 3.300 2.675 2.675 2.675 . 0 0 "[ ]" 1
139 1 39 LEU H 1 39 LEU HB2 3.000 . 3.300 2.655 2.655 2.655 . 0 0 "[ ]" 1
140 1 39 LEU H 1 39 LEU MD1 4.000 . 6.500 4.133 4.133 4.133 . 0 0 "[ ]" 1
141 1 39 LEU H 1 39 LEU MD2 4.000 . 6.500 4.380 4.380 4.380 . 0 0 "[ ]" 1
142 1 39 LEU HA 1 39 LEU HB3 3.000 . 3.300 3.018 3.018 3.018 . 0 0 "[ ]" 1
143 1 39 LEU HA 1 39 LEU HB2 2.500 . 2.800 2.558 2.558 2.558 . 0 0 "[ ]" 1
144 1 39 LEU HA 1 39 LEU HG 4.000 . 5.000 2.472 2.472 2.472 . 0 0 "[ ]" 1
145 1 39 LEU HA 1 39 LEU MD1 3.000 . 4.800 2.325 2.325 2.325 . 0 0 "[ ]" 1
146 1 39 LEU HA 1 39 LEU MD2 3.000 . 4.800 3.780 3.780 3.780 . 0 0 "[ ]" 1
147 1 40 THR H 1 40 THR MG 4.000 . 6.500 2.129 2.129 2.129 . 0 0 "[ ]" 1
148 1 40 THR HA 1 40 THR HB 3.000 . 3.300 2.448 2.448 2.448 . 0 0 "[ ]" 1
149 1 40 THR HA 1 40 THR MG 3.000 . 4.800 2.538 2.538 2.538 . 0 0 "[ ]" 1
150 1 41 ARG H 1 41 ARG HB3 3.000 . 3.300 2.692 2.692 2.692 . 0 0 "[ ]" 1
151 1 41 ARG H 1 41 ARG HB2 3.000 . 3.300 2.617 2.617 2.617 . 0 0 "[ ]" 1
152 1 41 ARG H 1 41 ARG QG 4.000 . 6.000 4.029 4.029 4.029 . 0 0 "[ ]" 1
153 1 41 ARG H 1 41 ARG QD 5.000 2.500 7.000 4.505 4.505 4.505 . 0 0 "[ ]" 1
154 1 41 ARG HA 1 41 ARG HB2 2.500 . 2.800 2.568 2.568 2.568 . 0 0 "[ ]" 1
155 1 41 ARG HA 1 41 ARG QG 3.000 . 4.300 2.252 2.252 2.252 . 0 0 "[ ]" 1
156 1 41 ARG HA 1 41 ARG QD 4.000 . 6.000 3.907 3.907 3.907 . 0 0 "[ ]" 1
157 1 41 ARG HB2 1 41 ARG QD 3.000 . 4.300 2.436 2.436 2.436 . 0 0 "[ ]" 1
158 1 41 ARG HB2 1 41 ARG HE 5.000 2.500 6.000 4.590 4.590 4.590 . 0 0 "[ ]" 1
159 1 42 GLU H 1 42 GLU HA 3.000 . 3.300 2.900 2.900 2.900 . 0 0 "[ ]" 1
160 1 42 GLU H 1 42 GLU HB3 4.000 . 5.000 3.548 3.548 3.548 . 0 0 "[ ]" 1
161 1 42 GLU H 1 42 GLU HB2 3.000 . 3.300 2.236 2.236 2.236 . 0 0 "[ ]" 1
162 1 42 GLU H 1 42 GLU QG 5.000 2.500 7.000 2.738 2.738 2.738 . 0 0 "[ ]" 1
163 1 42 GLU HA 1 42 GLU HB3 3.000 . 3.300 2.633 2.633 2.633 . 0 0 "[ ]" 1
164 1 42 GLU HA 1 42 GLU HB2 3.000 . 3.300 2.997 2.997 2.997 . 0 0 "[ ]" 1
165 1 42 GLU HA 1 42 GLU QG 3.000 . 4.300 2.222 2.222 2.222 . 0 0 "[ ]" 1
166 1 43 ASP H 1 43 ASP QB 3.000 . 4.300 2.345 2.345 2.345 . 0 0 "[ ]" 1
167 1 43 ASP HA 1 43 ASP HB3 3.000 . 3.300 2.563 2.563 2.563 . 0 0 "[ ]" 1
168 1 43 ASP HA 1 43 ASP HB2 3.000 . 3.300 3.021 3.021 3.021 . 0 0 "[ ]" 1
169 1 44 VAL H 1 44 VAL HB 2.500 . 2.800 2.523 2.523 2.523 . 0 0 "[ ]" 1
170 1 44 VAL H 1 44 VAL MG1 4.000 . 6.500 3.776 3.776 3.776 . 0 0 "[ ]" 1
171 1 44 VAL H 1 44 VAL MG2 3.000 . 4.800 2.107 2.107 2.107 . 0 0 "[ ]" 1
172 1 44 VAL HA 1 44 VAL HB 3.000 . 3.300 3.030 3.030 3.030 . 0 0 "[ ]" 1
173 1 44 VAL HA 1 44 VAL MG1 3.000 . 4.800 2.319 2.319 2.319 . 0 0 "[ ]" 1
174 1 44 VAL HA 1 44 VAL MG2 3.000 . 4.800 2.319 2.319 2.319 . 0 0 "[ ]" 1
175 1 45 GLU H 1 45 GLU HB3 4.000 . 5.000 2.751 2.751 2.751 . 0 0 "[ ]" 1
176 1 45 GLU H 1 45 GLU HB2 3.000 . 3.300 2.370 2.370 2.370 . 0 0 "[ ]" 1
177 1 45 GLU H 1 45 GLU QG 4.000 . 6.000 3.938 3.938 3.938 . 0 0 "[ ]" 1
178 1 45 GLU HA 1 45 GLU QG 3.000 . 4.300 2.345 2.345 2.345 . 0 0 "[ ]" 1
179 1 46 LYS H 1 46 LYS QB 3.000 . 4.300 2.160 2.160 2.160 . 0 0 "[ ]" 1
180 1 47 HIS H 1 47 HIS HA 3.000 . 3.300 2.902 2.902 2.902 . 0 0 "[ ]" 1
181 1 47 HIS H 1 47 HIS HB3 3.000 . 3.300 2.779 2.779 2.779 . 0 0 "[ ]" 1
182 1 47 HIS H 1 47 HIS HB2 4.000 . 5.000 2.382 2.382 2.382 . 0 0 "[ ]" 1
183 1 47 HIS HA 1 47 HIS HB3 3.000 . 3.300 3.010 3.010 3.010 . 0 0 "[ ]" 1
184 1 47 HIS HA 1 47 HIS HB2 3.000 . 3.300 2.603 2.603 2.603 . 0 0 "[ ]" 1
185 1 47 HIS HA 1 47 HIS HD2 5.000 2.500 6.000 4.235 4.235 4.235 . 0 0 "[ ]" 1
186 1 47 HIS HB3 1 47 HIS HD2 4.000 . 5.000 2.748 2.748 2.748 . 0 0 "[ ]" 1
187 1 47 HIS HB2 1 47 HIS HD2 4.000 . 5.000 3.837 3.837 3.837 . 0 0 "[ ]" 1
188 1 48 LEU H 1 48 LEU HA 3.000 . 3.300 2.874 2.874 2.874 . 0 0 "[ ]" 1
189 1 48 LEU H 1 48 LEU HB3 4.000 . 5.000 3.536 3.536 3.536 . 0 0 "[ ]" 1
190 1 48 LEU H 1 48 LEU HB2 3.000 . 3.300 2.220 2.220 2.220 . 0 0 "[ ]" 1
191 1 48 LEU H 1 48 LEU HG 4.000 . 5.000 2.885 2.885 2.885 . 0 0 "[ ]" 1
192 1 48 LEU H 1 48 LEU MD1 4.000 . 6.500 3.278 3.278 3.278 . 0 0 "[ ]" 1
193 1 48 LEU H 1 48 LEU MD2 4.000 . 6.500 4.104 4.104 4.104 . 0 0 "[ ]" 1
194 1 48 LEU HA 1 48 LEU HG 4.000 . 5.000 2.351 2.351 2.351 . 0 0 "[ ]" 1
195 1 48 LEU HA 1 48 LEU MD1 4.000 . 6.500 3.717 3.717 3.717 . 0 0 "[ ]" 1
196 1 48 LEU HA 1 48 LEU MD2 2.500 . 4.300 2.285 2.285 2.285 . 0 0 "[ ]" 1
197 1 48 LEU HB3 1 48 LEU MD1 3.000 . 4.800 2.606 2.606 2.606 . 0 0 "[ ]" 1
198 1 48 LEU HB3 1 48 LEU MD2 3.000 . 4.800 2.210 2.210 2.210 . 0 0 "[ ]" 1
199 1 48 LEU HB2 1 48 LEU MD1 2.500 . 4.300 2.205 2.205 2.205 . 0 0 "[ ]" 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 44
_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 16 ILE 0.000 0.000 . 0 "[ ]"
1 19 LEU 0.000 0.000 . 0 "[ ]"
1 20 LEU 0.000 0.000 . 0 "[ ]"
1 23 HIS 0.000 0.000 . 0 "[ ]"
1 25 LEU 0.000 0.000 . 0 "[ ]"
1 27 ALA 0.000 0.000 . 0 "[ ]"
1 29 ALA 0.000 0.000 . 0 "[ ]"
1 30 ILE 0.000 0.000 . 0 "[ ]"
1 32 GLY 0.000 0.000 . 0 "[ ]"
1 34 GLY 0.000 0.000 . 0 "[ ]"
1 39 LEU 0.000 0.000 . 0 "[ ]"
1 40 THR 0.000 0.000 . 0 "[ ]"
1 41 ARG 0.000 0.000 . 0 "[ ]"
1 43 ASP 0.000 0.000 . 0 "[ ]"
1 44 VAL 0.000 0.000 . 0 "[ ]"
1 47 HIS 0.000 0.000 . 0 "[ ]"
1 48 LEU 0.000 0.000 . 0 "[ ]"
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 16 ILE MD 1 40 THR HA 3.000 . 4.800 3.584 3.584 3.584 . 0 0 "[ ]" 2
2 1 16 ILE MD 1 41 ARG H 4.000 . 6.500 3.853 3.853 3.853 . 0 0 "[ ]" 2
3 1 16 ILE HG13 1 41 ARG HA 4.000 . 5.000 4.119 4.119 4.119 . 0 0 "[ ]" 2
4 1 16 ILE MD 1 41 ARG HA 4.000 . 6.500 3.267 3.267 3.267 . 0 0 "[ ]" 2
5 1 19 LEU MD1 1 48 LEU MD1 3.000 . 6.300 3.563 3.563 3.563 . 0 0 "[ ]" 2
6 1 19 LEU MD2 1 44 VAL MG1 4.000 . 8.000 2.837 2.837 2.837 . 0 0 "[ ]" 2
7 1 19 LEU MD2 1 44 VAL MG2 4.000 . 8.000 4.009 4.009 4.009 . 0 0 "[ ]" 2
8 1 20 LEU MD2 1 44 VAL MG2 3.000 . 6.300 2.465 2.465 2.465 . 0 0 "[ ]" 2
9 1 23 HIS HB3 1 48 LEU MD2 3.000 . 4.800 2.776 2.776 2.776 . 0 0 "[ ]" 2
10 1 23 HIS HB2 1 48 LEU MD2 4.000 . 6.500 3.100 3.100 3.100 . 0 0 "[ ]" 2
11 1 23 HIS HD2 1 48 LEU MD1 4.000 . 6.500 2.413 2.413 2.413 . 0 0 "[ ]" 2
12 1 23 HIS HD2 1 48 LEU MD2 4.000 . 6.500 2.980 2.980 2.980 . 0 0 "[ ]" 2
13 1 23 HIS HE1 1 48 LEU MD1 5.000 2.500 7.500 4.943 4.943 4.943 . 0 0 "[ ]" 2
14 1 23 HIS HE1 1 48 LEU MD2 4.000 . 6.500 4.243 4.243 4.243 . 0 0 "[ ]" 2
15 1 25 LEU MD1 1 47 HIS HD2 4.000 . 6.500 2.408 2.408 2.408 . 0 0 "[ ]" 2
16 1 25 LEU MD2 1 47 HIS HD2 3.000 . 4.800 2.325 2.325 2.325 . 0 0 "[ ]" 2
17 1 25 LEU MD1 1 47 HIS HB3 5.000 2.500 7.500 3.401 3.401 3.401 . 0 0 "[ ]" 2
18 1 27 ALA H 1 39 LEU MD2 4.000 . 6.500 5.016 5.016 5.016 . 0 0 "[ ]" 2
19 1 29 ALA MB 1 47 HIS HE1 5.000 2.500 7.000 4.245 4.245 4.245 . 0 0 "[ ]" 2
20 1 30 ILE MG 1 43 ASP HB3 3.000 . 4.800 2.318 2.318 2.318 . 0 0 "[ ]" 2
21 1 30 ILE MG 1 43 ASP HB2 4.000 . 6.500 3.398 3.398 3.398 . 0 0 "[ ]" 2
22 1 30 ILE HG13 1 43 ASP HB3 5.000 2.500 6.000 5.425 5.425 5.425 . 0 0 "[ ]" 2
23 1 30 ILE HG12 1 44 VAL HA 4.000 . 5.000 4.988 4.988 4.988 . 0 0 "[ ]" 2
24 1 30 ILE HG13 1 44 VAL HA 3.000 . 3.300 3.253 3.253 3.253 . 0 0 "[ ]" 2
25 1 30 ILE HG13 1 44 VAL MG2 3.000 . 4.800 2.874 2.874 2.874 . 0 0 "[ ]" 2
26 1 30 ILE MG 1 44 VAL HA 3.000 . 4.800 2.387 2.387 2.387 . 0 0 "[ ]" 2
27 1 30 ILE HG13 1 47 HIS HB3 4.000 . 5.000 4.241 4.241 4.241 . 0 0 "[ ]" 2
28 1 30 ILE HG13 1 47 HIS HB2 4.000 . 5.000 3.872 3.872 3.872 . 0 0 "[ ]" 2
29 1 30 ILE HG13 1 47 HIS HD2 4.000 . 5.000 4.984 4.984 4.984 . 0 0 "[ ]" 2
30 1 30 ILE HG13 1 47 HIS HE1 5.000 2.500 6.000 5.992 5.992 5.992 . 0 0 "[ ]" 2
31 1 30 ILE MG 1 47 HIS HB3 4.000 . 6.500 4.298 4.298 4.298 . 0 0 "[ ]" 2
32 1 30 ILE MG 1 47 HIS HB2 4.000 . 6.500 3.327 3.327 3.327 . 0 0 "[ ]" 2
33 1 30 ILE MG 1 47 HIS HE1 5.000 2.500 7.500 5.845 5.845 5.845 . 0 0 "[ ]" 2
34 1 30 ILE MD 1 47 HIS HB3 4.000 . 6.500 3.288 3.288 3.288 . 0 0 "[ ]" 2
35 1 30 ILE MD 1 47 HIS HE1 5.000 2.500 7.500 3.239 3.239 3.239 . 0 0 "[ ]" 2
36 1 32 GLY HA3 1 39 LEU HA 3.000 . 3.300 2.444 2.444 2.444 . 0 0 "[ ]" 2
37 1 32 GLY HA2 1 39 LEU HA 3.000 . 3.300 2.638 2.638 2.638 . 0 0 "[ ]" 2
38 1 32 GLY HA3 1 39 LEU QD 4.000 . 7.700 2.386 2.386 2.386 . 0 0 "[ ]" 2
39 1 32 GLY HA2 1 39 LEU MD1 4.000 . 6.500 2.594 2.594 2.594 . 0 0 "[ ]" 2
40 1 32 GLY HA2 1 39 LEU MD2 4.000 . 6.500 5.124 5.124 5.124 . 0 0 "[ ]" 2
41 1 32 GLY HA2 1 40 THR MG 4.000 . 6.500 4.309 4.309 4.309 . 0 0 "[ ]" 2
42 1 34 GLY H 1 40 THR MG 3.000 . 4.800 3.361 3.361 3.361 . 0 0 "[ ]" 2
43 1 34 GLY HA3 1 40 THR MG 3.000 . 4.800 2.546 2.546 2.546 . 0 0 "[ ]" 2
44 1 34 GLY HA2 1 40 THR MG 3.000 . 4.800 2.386 2.386 2.386 . 0 0 "[ ]" 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 100
_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 12 LEU 0.000 0.000 . 0 "[ ]"
1 13 SER 0.000 0.000 . 0 "[ ]"
1 14 PRO 0.000 0.000 . 0 "[ ]"
1 15 ALA 0.000 0.000 . 0 "[ ]"
1 16 ILE 0.000 0.000 . 0 "[ ]"
1 17 ARG 0.000 0.000 . 0 "[ ]"
1 18 ARG 0.000 0.000 . 0 "[ ]"
1 19 LEU 0.000 0.000 . 0 "[ ]"
1 20 LEU 0.000 0.000 . 0 "[ ]"
1 21 ALA 0.000 0.000 . 0 "[ ]"
1 22 GLU 0.000 0.000 . 0 "[ ]"
1 23 HIS 0.000 0.000 . 0 "[ ]"
1 24 ASN 0.000 0.000 . 0 "[ ]"
1 25 LEU 0.000 0.000 . 0 "[ ]"
1 26 ASP 0.000 0.000 . 0 "[ ]"
1 27 ALA 0.000 0.000 . 0 "[ ]"
1 28 SER 0.000 0.000 . 0 "[ ]"
1 29 ALA 0.000 0.000 . 0 "[ ]"
1 30 ILE 0.000 0.000 . 0 "[ ]"
1 32 GLY 0.000 0.000 . 0 "[ ]"
1 33 THR 0.000 0.000 . 0 "[ ]"
1 34 GLY 0.000 0.000 . 0 "[ ]"
1 35 VAL 0.000 0.000 . 0 "[ ]"
1 37 GLY 0.000 0.000 . 0 "[ ]"
1 38 ARG 0.000 0.000 . 0 "[ ]"
1 39 LEU 0.000 0.000 . 0 "[ ]"
1 40 THR 0.000 0.000 . 0 "[ ]"
1 41 ARG 0.000 0.000 . 0 "[ ]"
1 42 GLU 0.000 0.000 . 0 "[ ]"
1 43 ASP 0.000 0.000 . 0 "[ ]"
1 44 VAL 0.000 0.000 . 0 "[ ]"
1 45 GLU 0.000 0.000 . 0 "[ ]"
1 46 LYS 0.000 0.000 . 0 "[ ]"
1 47 HIS 0.000 0.000 . 0 "[ ]"
1 48 LEU 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 12 LEU HA 1 16 ILE HB 5.000 2.500 6.000 3.803 3.803 3.803 . 0 0 "[ ]" 3
2 1 12 LEU HB3 1 16 ILE HB 4.000 . 5.000 3.293 3.293 3.293 . 0 0 "[ ]" 3
3 1 13 SER HA 1 15 ALA H 4.000 . 5.000 3.984 3.984 3.984 . 0 0 "[ ]" 3
4 1 13 SER H 1 16 ILE HB 4.000 . 5.000 2.163 2.163 2.163 . 0 0 "[ ]" 3
5 1 13 SER H 1 16 ILE H 4.000 . 5.000 3.413 3.413 3.413 . 0 0 "[ ]" 3
6 1 13 SER HA 1 16 ILE HB 4.000 . 5.000 4.756 4.756 4.756 . 0 0 "[ ]" 3
7 1 14 PRO HA 1 17 ARG H 4.000 . 5.000 4.460 4.460 4.460 . 0 0 "[ ]" 3
8 1 15 ALA HA 1 17 ARG H 4.000 . 5.000 3.941 3.941 3.941 . 0 0 "[ ]" 3
9 1 15 ALA HA 1 18 ARG H 4.000 . 5.000 3.299 3.299 3.299 . 0 0 "[ ]" 3
10 1 16 ILE HA 1 19 LEU H 4.000 . 5.000 3.407 3.407 3.407 . 0 0 "[ ]" 3
11 1 16 ILE HA 1 19 LEU HB3 3.000 . 3.300 3.016 3.016 3.016 . 0 0 "[ ]" 3
12 1 16 ILE HA 1 19 LEU HB2 3.000 . 3.300 2.347 2.347 2.347 . 0 0 "[ ]" 3
13 1 16 ILE HA 1 19 LEU MD1 3.000 . 4.800 3.562 3.562 3.562 . 0 0 "[ ]" 3
14 1 17 ARG HA 1 20 LEU H 5.000 2.500 6.000 3.942 3.942 3.942 . 0 0 "[ ]" 3
15 1 17 ARG HA 1 20 LEU QB 4.000 . 6.000 4.040 4.040 4.040 . 0 0 "[ ]" 3
16 1 18 ARG HA 1 21 ALA H 4.000 . 5.000 3.041 3.041 3.041 . 0 0 "[ ]" 3
17 1 18 ARG HA 1 21 ALA MB 3.000 . 4.800 2.631 2.631 2.631 . 0 0 "[ ]" 3
18 1 18 ARG HA 1 22 GLU H 4.000 . 5.000 4.229 4.229 4.229 . 0 0 "[ ]" 3
19 1 19 LEU H 1 21 ALA H 5.000 2.500 6.000 3.986 3.986 3.986 . 0 0 "[ ]" 3
20 1 19 LEU HA 1 22 GLU H 4.000 . 5.000 3.543 3.543 3.543 . 0 0 "[ ]" 3
21 1 19 LEU HA 1 22 GLU HB3 3.000 . 3.300 2.720 2.720 2.720 . 0 0 "[ ]" 3
22 1 19 LEU HA 1 23 HIS HD2 4.000 . 5.000 3.989 3.989 3.989 . 0 0 "[ ]" 3
23 1 19 LEU HG 1 23 HIS HD2 4.000 . 5.000 2.346 2.346 2.346 . 0 0 "[ ]" 3
24 1 19 LEU MD1 1 23 HIS HD2 3.000 . 4.800 3.628 3.628 3.628 . 0 0 "[ ]" 3
25 1 19 LEU MD2 1 23 HIS HD2 4.000 . 6.500 3.289 3.289 3.289 . 0 0 "[ ]" 3
26 1 19 LEU HA 1 23 HIS HE1 5.000 2.500 6.000 5.175 5.175 5.175 . 0 0 "[ ]" 3
27 1 19 LEU HG 1 23 HIS HE1 5.000 2.500 6.000 4.862 4.862 4.862 . 0 0 "[ ]" 3
28 1 19 LEU MD1 1 23 HIS HE1 4.000 . 6.500 4.133 4.133 4.133 . 0 0 "[ ]" 3
29 1 19 LEU MD2 1 23 HIS HE1 5.000 2.500 7.500 5.685 5.685 5.685 . 0 0 "[ ]" 3
30 1 20 LEU HA 1 23 HIS HB3 5.000 2.500 6.000 5.932 5.932 5.932 . 0 0 "[ ]" 3
31 1 20 LEU HA 1 23 HIS HB2 4.000 . 5.000 4.180 4.180 4.180 . 0 0 "[ ]" 3
32 1 20 LEU HA 1 23 HIS HD2 5.000 2.500 6.000 4.194 4.194 4.194 . 0 0 "[ ]" 3
33 1 20 LEU HA 1 25 LEU MD1 4.000 . 6.500 4.088 4.088 4.088 . 0 0 "[ ]" 3
34 1 20 LEU HA 1 25 LEU HB2 4.000 . 5.000 3.372 3.372 3.372 . 0 0 "[ ]" 3
35 1 20 LEU MD2 1 25 LEU HB3 3.000 . 4.800 3.384 3.384 3.384 . 0 0 "[ ]" 3
36 1 20 LEU MD2 1 25 LEU HB2 3.000 . 4.800 2.652 2.652 2.652 . 0 0 "[ ]" 3
37 1 21 ALA HA 1 24 ASN H 5.000 2.500 6.000 3.439 3.439 3.439 . 0 0 "[ ]" 3
38 1 22 GLU HA 1 24 ASN H 5.000 2.500 6.000 4.028 4.028 4.028 . 0 0 "[ ]" 3
39 1 23 HIS HB3 1 25 LEU HG 4.000 . 5.000 3.687 3.687 3.687 . 0 0 "[ ]" 3
40 1 23 HIS HB2 1 25 LEU HG 4.000 . 5.000 3.087 3.087 3.087 . 0 0 "[ ]" 3
41 1 23 HIS HB2 1 25 LEU HB2 5.000 2.500 6.000 3.772 3.772 3.772 . 0 0 "[ ]" 3
42 1 23 HIS HB3 1 25 LEU MD1 4.000 . 6.500 3.147 3.147 3.147 . 0 0 "[ ]" 3
43 1 23 HIS HB2 1 25 LEU MD1 4.000 . 6.500 2.478 2.478 2.478 . 0 0 "[ ]" 3
44 1 25 LEU HB3 1 30 ILE HG13 4.000 . 5.000 4.467 4.467 4.467 . 0 0 "[ ]" 3
45 1 25 LEU HB3 1 30 ILE HG12 4.000 . 5.000 4.621 4.621 4.621 . 0 0 "[ ]" 3
46 1 25 LEU HB2 1 30 ILE HG13 5.000 2.500 6.000 5.669 5.669 5.669 . 0 0 "[ ]" 3
47 1 25 LEU MD1 1 30 ILE HG13 4.000 . 6.500 4.633 4.633 4.633 . 0 0 "[ ]" 3
48 1 26 ASP HA 1 28 SER H 5.000 2.500 6.000 3.380 3.380 3.380 . 0 0 "[ ]" 3
49 1 26 ASP QB 1 28 SER H 5.000 2.500 7.000 2.713 2.713 2.713 . 0 0 "[ ]" 3
50 1 26 ASP HB3 1 29 ALA MB 4.000 . 6.500 3.791 3.791 3.791 . 0 0 "[ ]" 3
51 1 26 ASP HB2 1 29 ALA MB 4.000 . 6.500 3.259 3.259 3.259 . 0 0 "[ ]" 3
52 1 27 ALA HA 1 29 ALA H 5.000 2.500 6.000 3.710 3.710 3.710 . 0 0 "[ ]" 3
53 1 27 ALA HA 1 30 ILE HB 4.000 . 5.000 2.760 2.760 2.760 . 0 0 "[ ]" 3
54 1 27 ALA HA 1 30 ILE HG13 3.000 . 3.300 3.106 3.106 3.106 . 0 0 "[ ]" 3
55 1 27 ALA HA 1 30 ILE HG12 4.000 . 5.000 2.503 2.503 2.503 . 0 0 "[ ]" 3
56 1 27 ALA HA 1 30 ILE MD 5.000 2.800 7.500 4.152 4.152 4.152 . 0 0 "[ ]" 3
57 1 27 ALA MB 1 30 ILE HG13 5.000 2.500 7.500 4.264 4.264 4.264 . 0 0 "[ ]" 3
58 1 28 SER H 1 30 ILE H 4.000 . 5.000 3.943 3.943 3.943 . 0 0 "[ ]" 3
59 1 28 SER HA 1 30 ILE H 4.000 . 5.000 3.897 3.897 3.897 . 0 0 "[ ]" 3
60 1 32 GLY HA2 1 34 GLY H 5.000 2.500 6.000 3.405 3.405 3.405 . 0 0 "[ ]" 3
61 1 33 THR HA 1 37 GLY HA3 5.000 2.500 6.000 4.990 4.990 4.990 . 0 0 "[ ]" 3
62 1 33 THR HA 1 37 GLY HA2 5.000 2.500 6.000 3.264 3.264 3.264 . 0 0 "[ ]" 3
63 1 33 THR H 1 38 ARG H 3.500 2.500 23.500 5.889 5.889 5.889 . 0 0 "[ ]" 3
64 1 34 GLY H 1 38 ARG H 3.500 2.500 23.500 2.920 2.920 2.920 . 0 0 "[ ]" 3
65 1 34 GLY QA 1 38 ARG HB3 4.000 . 6.000 3.578 3.578 3.578 . 0 0 "[ ]" 3
66 1 34 GLY QA 1 38 ARG HB2 4.000 . 6.000 2.383 2.383 2.383 . 0 0 "[ ]" 3
67 1 35 VAL H 1 40 THR MG 4.000 . 6.500 3.552 3.552 3.552 . 0 0 "[ ]" 3
68 1 35 VAL MG1 1 38 ARG QD 5.000 2.500 8.500 4.291 4.291 4.291 . 0 0 "[ ]" 3
69 1 39 LEU HA 1 43 ASP HB2 5.000 2.500 6.000 4.025 4.025 4.025 . 0 0 "[ ]" 3
70 1 39 LEU MD1 1 43 ASP HB3 4.000 . 6.500 3.271 3.271 3.271 . 0 0 "[ ]" 3
71 1 39 LEU MD1 1 43 ASP HB2 4.000 . 6.500 3.388 3.388 3.388 . 0 0 "[ ]" 3
72 1 39 LEU MD2 1 43 ASP HB3 4.000 . 6.500 4.913 4.913 4.913 . 0 0 "[ ]" 3
73 1 39 LEU MD2 1 43 ASP HB2 4.000 . 6.500 4.373 4.373 4.373 . 0 0 "[ ]" 3
74 1 39 LEU MD1 1 44 VAL HB 4.000 . 6.500 5.240 5.240 5.240 . 0 0 "[ ]" 3
75 1 40 THR HA 1 42 GLU H 5.000 2.500 6.000 4.519 4.519 4.519 . 0 0 "[ ]" 3
76 1 40 THR HB 1 42 GLU H 4.000 . 5.000 3.015 3.015 3.015 . 0 0 "[ ]" 3
77 1 40 THR H 1 43 ASP H 5.000 2.500 6.000 4.252 4.252 4.252 . 0 0 "[ ]" 3
78 1 40 THR H 1 43 ASP HB3 4.000 . 5.000 4.383 4.383 4.383 . 0 0 "[ ]" 3
79 1 40 THR H 1 43 ASP HB2 4.000 . 5.000 3.108 3.108 3.108 . 0 0 "[ ]" 3
80 1 41 ARG H 1 43 ASP H 5.000 2.500 6.000 3.838 3.838 3.838 . 0 0 "[ ]" 3
81 1 41 ARG HA 1 44 VAL H 5.000 2.500 6.000 3.473 3.473 3.473 . 0 0 "[ ]" 3
82 1 41 ARG HA 1 44 VAL HB 4.000 . 5.000 3.508 3.508 3.508 . 0 0 "[ ]" 3
83 1 41 ARG HA 1 44 VAL MG2 3.000 . 4.800 3.749 3.749 3.749 . 0 0 "[ ]" 3
84 1 42 GLU HA 1 44 VAL H 4.000 . 5.000 4.904 4.904 4.904 . 0 0 "[ ]" 3
85 1 42 GLU HA 1 45 GLU H 4.000 . 5.000 3.889 3.889 3.889 . 0 0 "[ ]" 3
86 1 43 ASP H 1 45 GLU H 5.000 2.500 6.000 3.403 3.403 3.403 . 0 0 "[ ]" 3
87 1 43 ASP HA 1 46 LYS H 4.000 . 5.000 4.059 4.059 4.059 . 0 0 "[ ]" 3
88 1 43 ASP HA 1 46 LYS QB 4.000 . 6.000 3.477 3.477 3.477 . 0 0 "[ ]" 3
89 1 44 VAL HA 1 47 HIS H 4.000 . 5.000 3.435 3.435 3.435 . 0 0 "[ ]" 3
90 1 44 VAL HA 1 47 HIS HA 5.000 2.500 6.000 5.418 5.418 5.418 . 0 0 "[ ]" 3
91 1 44 VAL HA 1 47 HIS HB3 4.000 . 5.000 3.283 3.283 3.283 . 0 0 "[ ]" 3
92 1 44 VAL HA 1 47 HIS HB2 4.000 . 5.000 3.048 3.048 3.048 . 0 0 "[ ]" 3
93 1 44 VAL HA 1 47 HIS HD2 5.000 2.500 6.000 5.569 5.569 5.569 . 0 0 "[ ]" 3
94 1 44 VAL MG1 1 48 LEU MD1 3.000 . 6.300 2.356 2.356 2.356 . 0 0 "[ ]" 3
95 1 45 GLU HA 1 48 LEU H 4.000 . 5.000 3.186 3.186 3.186 . 0 0 "[ ]" 3
96 1 45 GLU HA 1 48 LEU HB2 4.000 . 5.000 2.545 2.545 2.545 . 0 0 "[ ]" 3
97 1 45 GLU HA 1 48 LEU HG 5.000 2.500 6.000 4.289 4.289 4.289 . 0 0 "[ ]" 3
98 1 45 GLU HA 1 48 LEU MD1 3.000 . 4.800 2.504 2.504 2.504 . 0 0 "[ ]" 3
99 1 45 GLU QG 1 48 LEU MD1 4.000 . 7.500 3.712 3.712 3.712 . 0 0 "[ ]" 3
100 1 46 LYS H 1 48 LEU H 5.000 2.500 6.000 4.316 4.316 4.316 . 0 0 "[ ]" 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 139
_Distance_constraint_stats_list.Viol_count 2
_Distance_constraint_stats_list.Viol_total 0.015
_Distance_constraint_stats_list.Viol_max 0.012
_Distance_constraint_stats_list.Viol_rms 0.0011
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0073
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 12 LEU 0.000 0.000 . 0 "[ ]"
1 13 SER 0.000 0.000 . 0 "[ ]"
1 14 PRO 0.000 0.000 . 0 "[ ]"
1 15 ALA 0.000 0.000 . 0 "[ ]"
1 16 ILE 0.002 0.002 1 0 "[ ]"
1 17 ARG 0.002 0.002 1 0 "[ ]"
1 18 ARG 0.000 0.000 . 0 "[ ]"
1 19 LEU 0.000 0.000 . 0 "[ ]"
1 20 LEU 0.000 0.000 . 0 "[ ]"
1 21 ALA 0.000 0.000 . 0 "[ ]"
1 22 GLU 0.012 0.012 1 0 "[ ]"
1 23 HIS 0.012 0.012 1 0 "[ ]"
1 24 ASN 0.000 0.000 . 0 "[ ]"
1 25 LEU 0.000 0.000 . 0 "[ ]"
1 26 ASP 0.000 0.000 . 0 "[ ]"
1 27 ALA 0.000 0.000 . 0 "[ ]"
1 28 SER 0.000 0.000 . 0 "[ ]"
1 29 ALA 0.000 0.000 . 0 "[ ]"
1 30 ILE 0.000 0.000 . 0 "[ ]"
1 31 LYS 0.000 0.000 . 0 "[ ]"
1 32 GLY 0.000 0.000 . 0 "[ ]"
1 33 THR 0.000 0.000 . 0 "[ ]"
1 34 GLY 0.000 0.000 . 0 "[ ]"
1 35 VAL 0.000 0.000 . 0 "[ ]"
1 36 GLY 0.000 0.000 . 0 "[ ]"
1 37 GLY 0.000 0.000 . 0 "[ ]"
1 38 ARG 0.000 0.000 . 0 "[ ]"
1 39 LEU 0.000 0.000 . 0 "[ ]"
1 40 THR 0.000 0.000 . 0 "[ ]"
1 41 ARG 0.000 0.000 . 0 "[ ]"
1 42 GLU 0.000 0.000 . 0 "[ ]"
1 43 ASP 0.000 0.000 . 0 "[ ]"
1 44 VAL 0.000 0.000 . 0 "[ ]"
1 45 GLU 0.000 0.000 . 0 "[ ]"
1 46 LYS 0.000 0.000 . 0 "[ ]"
1 47 HIS 0.000 0.000 . 0 "[ ]"
1 48 LEU 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 12 LEU HA 1 13 SER H 2.500 . 2.800 2.567 2.567 2.567 . 0 0 "[ ]" 4
2 1 12 LEU QB 1 13 SER H 4.000 . 6.000 2.274 2.274 2.274 . 0 0 "[ ]" 4
3 1 12 LEU QD 1 13 SER H 3.000 . 5.700 3.591 3.591 3.591 . 0 0 "[ ]" 4
4 1 13 SER H 1 14 PRO HD3 3.500 2.500 23.500 4.890 4.890 4.890 . 0 0 "[ ]" 4
5 1 13 SER H 1 14 PRO HD2 3.500 2.500 23.500 4.841 4.841 4.841 . 0 0 "[ ]" 4
6 1 13 SER HA 1 14 PRO HB3 5.000 2.500 6.000 5.306 5.306 5.306 . 0 0 "[ ]" 4
7 1 13 SER HA 1 14 PRO QG 4.000 . 6.000 4.076 4.076 4.076 . 0 0 "[ ]" 4
8 1 13 SER HA 1 14 PRO QD 3.000 . 4.300 2.120 2.120 2.120 . 0 0 "[ ]" 4
9 1 13 SER QB 1 14 PRO QD 3.000 . 5.300 2.317 2.317 2.317 . 0 0 "[ ]" 4
10 1 14 PRO HA 1 15 ALA H 4.000 . 5.000 3.426 3.426 3.426 . 0 0 "[ ]" 4
11 1 14 PRO HB3 1 15 ALA H 4.000 . 5.000 4.393 4.393 4.393 . 0 0 "[ ]" 4
12 1 14 PRO HB2 1 15 ALA H 4.000 . 5.000 3.472 3.472 3.472 . 0 0 "[ ]" 4
13 1 14 PRO QG 1 15 ALA H 5.000 2.500 7.000 3.472 3.472 3.472 . 0 0 "[ ]" 4
14 1 14 PRO QD 1 15 ALA H 4.000 . 6.000 2.788 2.788 2.788 . 0 0 "[ ]" 4
15 1 15 ALA H 1 16 ILE H 2.500 . 2.800 2.315 2.315 2.315 . 0 0 "[ ]" 4
16 1 15 ALA HA 1 16 ILE H 4.000 . 5.000 3.324 3.324 3.324 . 0 0 "[ ]" 4
17 1 15 ALA MB 1 16 ILE H 4.000 . 6.500 3.215 3.215 3.215 . 0 0 "[ ]" 4
18 1 16 ILE H 1 17 ARG H 2.500 . 2.800 2.626 2.626 2.626 . 0 0 "[ ]" 4
19 1 16 ILE HA 1 17 ARG H 4.000 . 5.000 3.523 3.523 3.523 . 0 0 "[ ]" 4
20 1 16 ILE HB 1 17 ARG H 4.000 . 5.000 3.802 3.802 3.802 . 0 0 "[ ]" 4
21 1 16 ILE MG 1 17 ARG H 4.000 . 6.500 1.798 1.798 1.798 0.002 1 0 "[ ]" 4
22 1 16 ILE MG 1 17 ARG HA 4.000 . 6.500 3.075 3.075 3.075 . 0 0 "[ ]" 4
23 1 16 ILE MG 1 17 ARG HE 5.000 2.500 7.500 3.554 3.554 3.554 . 0 0 "[ ]" 4
24 1 17 ARG H 1 18 ARG H 2.500 . 2.800 2.707 2.707 2.707 . 0 0 "[ ]" 4
25 1 17 ARG HA 1 18 ARG H 4.000 . 5.000 3.553 3.553 3.553 . 0 0 "[ ]" 4
26 1 18 ARG H 1 19 LEU H 2.500 . 2.800 2.529 2.529 2.529 . 0 0 "[ ]" 4
27 1 18 ARG HA 1 19 LEU H 4.000 . 5.000 3.384 3.384 3.384 . 0 0 "[ ]" 4
28 1 18 ARG HB2 1 19 LEU H 4.000 . 5.000 3.238 3.238 3.238 . 0 0 "[ ]" 4
29 1 19 LEU H 1 20 LEU H 2.500 . 2.800 2.578 2.578 2.578 . 0 0 "[ ]" 4
30 1 19 LEU HA 1 20 LEU H 4.000 . 5.000 3.497 3.497 3.497 . 0 0 "[ ]" 4
31 1 19 LEU MD1 1 20 LEU H 5.000 2.500 7.500 4.857 4.857 4.857 . 0 0 "[ ]" 4
32 1 20 LEU H 1 21 ALA H 3.000 . 3.300 2.380 2.380 2.380 . 0 0 "[ ]" 4
33 1 20 LEU QB 1 21 ALA H 3.000 . 4.800 2.774 2.774 2.774 . 0 0 "[ ]" 4
34 1 20 LEU HA 1 21 ALA H 4.000 . 5.000 3.492 3.492 3.492 . 0 0 "[ ]" 4
35 1 21 ALA H 1 22 GLU H 2.500 . 2.800 2.357 2.357 2.357 . 0 0 "[ ]" 4
36 1 21 ALA MB 1 22 GLU H 3.000 . 4.800 3.123 3.123 3.123 . 0 0 "[ ]" 4
37 1 21 ALA MB 1 22 GLU HA 4.000 . 6.500 3.966 3.966 3.966 . 0 0 "[ ]" 4
38 1 22 GLU H 1 23 HIS H 3.000 . 3.300 2.394 2.394 2.394 . 0 0 "[ ]" 4
39 1 22 GLU H 1 23 HIS HD2 5.000 2.500 6.000 4.956 4.956 4.956 . 0 0 "[ ]" 4
40 1 22 GLU HA 1 23 HIS H 4.000 . 5.000 3.547 3.547 3.547 . 0 0 "[ ]" 4
41 1 22 GLU HB3 1 23 HIS H 5.000 2.500 6.000 2.488 2.488 2.488 0.012 1 0 "[ ]" 4
42 1 22 GLU HB3 1 23 HIS HD2 4.000 . 5.000 3.989 3.989 3.989 . 0 0 "[ ]" 4
43 1 22 GLU HB2 1 23 HIS HD2 5.000 2.500 6.000 5.718 5.718 5.718 . 0 0 "[ ]" 4
44 1 22 GLU QG 1 23 HIS HD2 5.000 2.500 7.000 4.686 4.686 4.686 . 0 0 "[ ]" 4
45 1 22 GLU HB3 1 23 HIS HE1 5.000 2.500 6.000 3.889 3.889 3.889 . 0 0 "[ ]" 4
46 1 22 GLU HB2 1 23 HIS HE1 5.000 2.500 6.000 5.031 5.031 5.031 . 0 0 "[ ]" 4
47 1 23 HIS H 1 24 ASN H 3.000 . 3.300 2.306 2.306 2.306 . 0 0 "[ ]" 4
48 1 23 HIS H 1 24 ASN QD 5.000 2.500 7.000 4.323 4.323 4.323 . 0 0 "[ ]" 4
49 1 23 HIS HA 1 24 ASN H 4.000 . 5.000 3.262 3.262 3.262 . 0 0 "[ ]" 4
50 1 23 HIS HD2 1 24 ASN H 5.000 2.500 6.000 5.354 5.354 5.354 . 0 0 "[ ]" 4
51 1 24 ASN H 1 25 LEU H 4.000 . 5.000 3.481 3.481 3.481 . 0 0 "[ ]" 4
52 1 24 ASN HA 1 25 LEU H 2.500 . 2.800 2.281 2.281 2.281 . 0 0 "[ ]" 4
53 1 25 LEU HA 1 26 ASP H 2.500 . 2.800 2.202 2.202 2.202 . 0 0 "[ ]" 4
54 1 25 LEU HB3 1 26 ASP H 4.000 . 5.000 3.124 3.124 3.124 . 0 0 "[ ]" 4
55 1 25 LEU HB2 1 26 ASP H 4.000 . 5.000 4.225 4.225 4.225 . 0 0 "[ ]" 4
56 1 25 LEU MD2 1 26 ASP H 4.000 . 6.500 2.889 2.889 2.889 . 0 0 "[ ]" 4
57 1 26 ASP H 1 27 ALA H 5.000 2.500 6.000 4.356 4.356 4.356 . 0 0 "[ ]" 4
58 1 26 ASP HA 1 27 ALA H 2.500 . 2.800 2.168 2.168 2.168 . 0 0 "[ ]" 4
59 1 26 ASP HB3 1 27 ALA H 5.000 2.500 6.000 3.722 3.722 3.722 . 0 0 "[ ]" 4
60 1 26 ASP HB2 1 27 ALA H 5.000 2.500 6.000 4.467 4.467 4.467 . 0 0 "[ ]" 4
61 1 27 ALA H 1 28 SER H 3.000 . 3.300 2.630 2.630 2.630 . 0 0 "[ ]" 4
62 1 27 ALA HA 1 28 SER H 4.000 . 5.000 3.408 3.408 3.408 . 0 0 "[ ]" 4
63 1 27 ALA MB 1 28 SER H 3.000 . 4.800 3.040 3.040 3.040 . 0 0 "[ ]" 4
64 1 28 SER H 1 29 ALA H 2.500 . 2.800 2.640 2.640 2.640 . 0 0 "[ ]" 4
65 1 28 SER HA 1 29 ALA H 4.000 . 5.000 3.481 3.481 3.481 . 0 0 "[ ]" 4
66 1 28 SER QB 1 29 ALA H 5.000 2.500 7.000 2.831 2.831 2.831 . 0 0 "[ ]" 4
67 1 29 ALA H 1 30 ILE H 3.000 . 3.300 2.339 2.339 2.339 . 0 0 "[ ]" 4
68 1 29 ALA HA 1 30 ILE H 4.000 . 5.000 3.382 3.382 3.382 . 0 0 "[ ]" 4
69 1 29 ALA MB 1 30 ILE H 4.000 . 6.500 3.049 3.049 3.049 . 0 0 "[ ]" 4
70 1 29 ALA MB 1 30 ILE HG13 4.000 . 6.500 4.538 4.538 4.538 . 0 0 "[ ]" 4
71 1 29 ALA MB 1 30 ILE HG12 4.000 . 6.500 3.150 3.150 3.150 . 0 0 "[ ]" 4
72 1 29 ALA MB 1 30 ILE MD 5.000 2.500 9.000 2.653 2.653 2.653 . 0 0 "[ ]" 4
73 1 30 ILE H 1 31 LYS H 4.000 . 5.000 4.584 4.584 4.584 . 0 0 "[ ]" 4
74 1 30 ILE HA 1 31 LYS H 2.500 . 2.800 2.240 2.240 2.240 . 0 0 "[ ]" 4
75 1 30 ILE MG 1 31 LYS H 3.000 . 4.800 2.157 2.157 2.157 . 0 0 "[ ]" 4
76 1 31 LYS HA 1 32 GLY H 2.500 . 2.800 2.154 2.154 2.154 . 0 0 "[ ]" 4
77 1 32 GLY H 1 33 THR H 3.500 2.500 23.500 3.945 3.945 3.945 . 0 0 "[ ]" 4
78 1 32 GLY HA3 1 33 THR H 4.000 . 5.000 3.517 3.517 3.517 . 0 0 "[ ]" 4
79 1 32 GLY HA2 1 33 THR H 4.000 . 5.000 2.323 2.323 2.323 . 0 0 "[ ]" 4
80 1 33 THR H 1 34 GLY H 4.000 . 5.000 3.069 3.069 3.069 . 0 0 "[ ]" 4
81 1 33 THR HA 1 34 GLY H 4.000 . 5.000 2.918 2.918 2.918 . 0 0 "[ ]" 4
82 1 33 THR HB 1 34 GLY H 5.000 2.500 6.000 4.474 4.474 4.474 . 0 0 "[ ]" 4
83 1 33 THR MG 1 34 GLY H 4.000 . 6.500 4.291 4.291 4.291 . 0 0 "[ ]" 4
84 1 34 GLY H 1 35 VAL H 5.000 2.500 6.000 4.622 4.622 4.622 . 0 0 "[ ]" 4
85 1 34 GLY HA3 1 35 VAL H 2.500 . 2.800 2.614 2.614 2.614 . 0 0 "[ ]" 4
86 1 34 GLY HA2 1 35 VAL H 2.500 . 2.800 2.538 2.538 2.538 . 0 0 "[ ]" 4
87 1 35 VAL H 1 36 GLY H 5.000 2.500 6.000 3.967 3.967 3.967 . 0 0 "[ ]" 4
88 1 35 VAL MG1 1 36 GLY H 3.000 . 4.800 3.683 3.683 3.683 . 0 0 "[ ]" 4
89 1 35 VAL MG2 1 36 GLY H 4.000 . 6.500 4.307 4.307 4.307 . 0 0 "[ ]" 4
90 1 36 GLY H 1 37 GLY H 3.000 . 3.300 1.825 1.825 1.825 . 0 0 "[ ]" 4
91 1 36 GLY HA3 1 37 GLY H 4.000 . 5.000 3.391 3.391 3.391 . 0 0 "[ ]" 4
92 1 36 GLY HA2 1 37 GLY H 4.000 . 5.000 3.127 3.127 3.127 . 0 0 "[ ]" 4
93 1 37 GLY H 1 38 ARG H 3.000 . 3.300 2.314 2.314 2.314 . 0 0 "[ ]" 4
94 1 38 ARG H 1 39 LEU H 5.000 2.500 6.000 4.606 4.606 4.606 . 0 0 "[ ]" 4
95 1 38 ARG HA 1 39 LEU H 2.500 . 2.800 2.378 2.378 2.378 . 0 0 "[ ]" 4
96 1 38 ARG HA 1 39 LEU HA 5.000 2.500 6.000 4.391 4.391 4.391 . 0 0 "[ ]" 4
97 1 39 LEU H 1 40 THR H 5.000 2.500 6.000 4.349 4.349 4.349 . 0 0 "[ ]" 4
98 1 39 LEU HA 1 40 THR H 2.500 . 2.800 2.161 2.161 2.161 . 0 0 "[ ]" 4
99 1 39 LEU HA 1 40 THR MG 4.000 . 6.500 3.522 3.522 3.522 . 0 0 "[ ]" 4
100 1 39 LEU QB 1 40 THR H 5.000 2.500 7.000 3.886 3.886 3.886 . 0 0 "[ ]" 4
101 1 39 LEU MD1 1 40 THR H 5.000 2.500 7.500 3.740 3.740 3.740 . 0 0 "[ ]" 4
102 1 39 LEU MD2 1 40 THR H 5.000 2.500 7.500 4.476 4.476 4.476 . 0 0 "[ ]" 4
103 1 40 THR HA 1 41 ARG H 3.000 . 3.300 2.757 2.757 2.757 . 0 0 "[ ]" 4
104 1 40 THR HA 1 41 ARG HA 5.000 2.500 6.000 4.397 4.397 4.397 . 0 0 "[ ]" 4
105 1 40 THR HB 1 41 ARG H 3.000 . 3.300 2.011 2.011 2.011 . 0 0 "[ ]" 4
106 1 40 THR HB 1 41 ARG HA 5.000 2.500 6.000 4.773 4.773 4.773 . 0 0 "[ ]" 4
107 1 40 THR MG 1 41 ARG H 4.000 . 6.500 3.690 3.690 3.690 . 0 0 "[ ]" 4
108 1 41 ARG H 1 42 GLU H 3.000 . 3.300 2.191 2.191 2.191 . 0 0 "[ ]" 4
109 1 41 ARG HA 1 42 GLU H 4.000 . 5.000 3.471 3.471 3.471 . 0 0 "[ ]" 4
110 1 41 ARG HB3 1 42 GLU H 4.000 . 5.000 2.922 2.922 2.922 . 0 0 "[ ]" 4
111 1 41 ARG QG 1 42 GLU H 5.000 2.500 7.000 4.085 4.085 4.085 . 0 0 "[ ]" 4
112 1 42 GLU H 1 43 ASP H 3.000 . 3.300 2.604 2.604 2.604 . 0 0 "[ ]" 4
113 1 42 GLU HA 1 43 ASP H 4.000 . 5.000 3.282 3.282 3.282 . 0 0 "[ ]" 4
114 1 42 GLU HB3 1 43 ASP H 4.000 . 5.000 4.059 4.059 4.059 . 0 0 "[ ]" 4
115 1 42 GLU HB2 1 43 ASP H 4.000 . 5.000 3.557 3.557 3.557 . 0 0 "[ ]" 4
116 1 43 ASP H 1 44 VAL H 3.000 . 3.300 2.366 2.366 2.366 . 0 0 "[ ]" 4
117 1 43 ASP HA 1 44 VAL H 4.000 . 5.000 3.561 3.561 3.561 . 0 0 "[ ]" 4
118 1 43 ASP HB2 1 44 VAL H 3.000 . 3.300 2.396 2.396 2.396 . 0 0 "[ ]" 4
119 1 43 ASP HB3 1 44 VAL H 4.000 . 5.000 3.231 3.231 3.231 . 0 0 "[ ]" 4
120 1 43 ASP HB3 1 44 VAL HA 5.000 2.500 6.000 4.208 4.208 4.208 . 0 0 "[ ]" 4
121 1 43 ASP HB3 1 44 VAL MG2 4.000 . 6.500 3.633 3.633 3.633 . 0 0 "[ ]" 4
122 1 43 ASP HB2 1 44 VAL MG2 4.000 . 6.500 3.096 3.096 3.096 . 0 0 "[ ]" 4
123 1 44 VAL H 1 45 GLU H 2.500 . 2.800 2.552 2.552 2.552 . 0 0 "[ ]" 4
124 1 44 VAL HA 1 45 GLU H 4.000 . 5.000 3.505 3.505 3.505 . 0 0 "[ ]" 4
125 1 44 VAL HB 1 45 GLU H 3.000 . 3.300 2.760 2.760 2.760 . 0 0 "[ ]" 4
126 1 44 VAL MG1 1 45 GLU H 4.000 . 6.500 3.618 3.618 3.618 . 0 0 "[ ]" 4
127 1 44 VAL MG2 1 45 GLU H 4.000 . 6.500 3.849 3.849 3.849 . 0 0 "[ ]" 4
128 1 45 GLU H 1 46 LYS H 3.000 . 3.300 2.927 2.927 2.927 . 0 0 "[ ]" 4
129 1 45 GLU HA 1 46 LYS H 4.000 . 5.000 3.565 3.565 3.565 . 0 0 "[ ]" 4
130 1 45 GLU HB3 1 46 LYS H 4.000 . 5.000 2.189 2.189 2.189 . 0 0 "[ ]" 4
131 1 45 GLU HB2 1 46 LYS H 4.000 . 5.000 3.551 3.551 3.551 . 0 0 "[ ]" 4
132 1 46 LYS H 1 47 HIS H 3.000 . 3.300 2.819 2.819 2.819 . 0 0 "[ ]" 4
133 1 46 LYS HA 1 47 HIS H 4.000 . 5.000 3.500 3.500 3.500 . 0 0 "[ ]" 4
134 1 46 LYS QB 1 47 HIS H 4.000 . 6.000 2.829 2.829 2.829 . 0 0 "[ ]" 4
135 1 47 HIS H 1 48 LEU H 3.000 . 3.300 2.521 2.521 2.521 . 0 0 "[ ]" 4
136 1 47 HIS HA 1 48 LEU H 4.000 . 5.000 3.526 3.526 3.526 . 0 0 "[ ]" 4
137 1 47 HIS HB3 1 48 LEU H 4.000 . 5.000 2.619 2.619 2.619 . 0 0 "[ ]" 4
138 1 47 HIS HB2 1 48 LEU H 4.000 . 5.000 3.673 3.673 3.673 . 0 0 "[ ]" 4
139 1 47 HIS HD2 1 48 LEU HA 5.000 2.500 6.000 4.169 4.169 4.169 . 0 0 "[ ]" 4
stop_
save_
Contact the webmaster for help, if required. Sunday, April 28, 2024 1:52:02 PM GMT (wattos1)