NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
585323 |
2mty   |
25191 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mty
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 165
_Distance_constraint_stats_list.Viol_count 72
_Distance_constraint_stats_list.Viol_total 12.141
_Distance_constraint_stats_list.Viol_max 0.857
_Distance_constraint_stats_list.Viol_rms 0.1416
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0736
_Distance_constraint_stats_list.Viol_average_violations_only 0.1686
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 VAL 0.000 0.000 . 0 "[ ]"
1 2 ILE 0.827 0.206 1 0 "[ ]"
1 3 LYS 0.819 0.201 1 0 "[ ]"
1 4 HIS 1.068 0.257 1 0 "[ ]"
1 5 ASN 0.807 0.485 1 0 "[ ]"
1 6 ARG 0.945 0.492 1 0 "[ ]"
1 7 PHE 0.544 0.190 1 0 "[ ]"
1 8 LEU 2.060 0.708 1 1 [+]
1 9 SER 0.965 0.192 1 0 "[ ]"
1 10 GLU 1.699 0.389 1 0 "[ ]"
1 11 TYR 0.276 0.145 1 0 "[ ]"
1 12 GLN 0.356 0.127 1 0 "[ ]"
1 13 SER 0.808 0.207 1 0 "[ ]"
1 14 ASN 0.560 0.176 1 0 "[ ]"
1 15 PHE 0.501 0.187 1 0 "[ ]"
1 16 LEU 2.029 0.857 1 1 [+]
1 17 GLY 0.176 0.176 1 0 "[ ]"
1 18 GLY 0.000 0.000 . 0 "[ ]"
1 19 GLY 0.013 0.013 1 0 "[ ]"
1 20 TYR 0.183 0.170 1 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 2 ILE H 1 2 ILE HA 2.800 . 2.800 2.669 2.669 2.669 . 0 0 "[ ]" 1
2 1 3 LYS H 1 3 LYS HA 2.800 . 2.800 2.382 2.382 2.382 . 0 0 "[ ]" 1
3 1 4 HIS H 1 4 HIS HA 2.800 . 2.800 2.191 2.191 2.191 . 0 0 "[ ]" 1
4 1 5 ASN H 1 5 ASN HA 2.800 . 2.800 2.347 2.347 2.347 . 0 0 "[ ]" 1
5 1 6 ARG H 1 6 ARG HA 2.800 . 2.800 2.331 2.331 2.331 . 0 0 "[ ]" 1
6 1 7 PHE H 1 7 PHE HA 2.800 . 2.800 2.990 2.990 2.990 0.190 1 0 "[ ]" 1
7 1 8 LEU H 1 8 LEU HA 2.800 . 2.800 2.864 2.864 2.864 0.064 1 0 "[ ]" 1
8 1 9 SER H 1 9 SER HA 2.800 . 2.800 2.299 2.299 2.299 . 0 0 "[ ]" 1
9 1 10 GLU H 1 10 GLU HA 2.800 . 2.800 2.177 2.177 2.177 . 0 0 "[ ]" 1
10 1 11 TYR H 1 11 TYR HA 2.800 . 2.800 2.364 2.364 2.364 . 0 0 "[ ]" 1
11 1 12 GLN H 1 12 GLN HA 2.800 . 2.800 2.325 2.325 2.325 . 0 0 "[ ]" 1
12 1 13 SER H 1 13 SER HA 2.800 . 2.800 2.325 2.325 2.325 . 0 0 "[ ]" 1
13 1 14 ASN H 1 14 ASN HA 2.800 . 2.800 2.334 2.334 2.334 . 0 0 "[ ]" 1
14 1 15 PHE H 1 15 PHE HA 2.800 . 2.800 2.311 2.311 2.311 . 0 0 "[ ]" 1
15 1 16 LEU H 1 16 LEU HA 2.800 . 2.800 2.296 2.296 2.296 . 0 0 "[ ]" 1
16 1 20 TYR H 1 20 TYR HA 2.800 . 2.800 2.970 2.970 2.970 0.170 1 0 "[ ]" 1
17 1 1 VAL HA 1 2 ILE H 2.800 . 2.800 2.263 2.263 2.263 . 0 0 "[ ]" 1
18 1 2 ILE HA 1 3 LYS H 3.500 2.800 3.500 3.522 3.522 3.522 0.022 1 0 "[ ]" 1
19 1 3 LYS HA 1 4 HIS H 3.500 2.800 3.500 2.866 2.866 2.866 . 0 0 "[ ]" 1
20 1 4 HIS HA 1 5 ASN H 3.500 2.800 3.500 2.688 2.688 2.688 0.112 1 0 "[ ]" 1
21 1 5 ASN HA 1 6 ARG H 2.800 . 2.800 2.693 2.693 2.693 . 0 0 "[ ]" 1
22 1 6 ARG HA 1 7 PHE H 2.800 . 2.800 2.838 2.838 2.838 0.038 1 0 "[ ]" 1
23 1 7 PHE HA 1 8 LEU H 3.500 2.800 3.500 3.608 3.608 3.608 0.108 1 0 "[ ]" 1
24 1 8 LEU HA 1 9 SER H 3.500 2.800 3.500 3.525 3.525 3.525 0.025 1 0 "[ ]" 1
25 1 9 SER HA 1 10 GLU H 3.500 2.800 3.500 2.670 2.670 2.670 0.130 1 0 "[ ]" 1
26 1 10 GLU HA 1 11 TYR H 2.800 . 2.800 2.459 2.459 2.459 . 0 0 "[ ]" 1
27 1 11 TYR HA 1 12 GLN H 2.800 . 2.800 2.733 2.733 2.733 . 0 0 "[ ]" 1
28 1 12 GLN HA 1 13 SER H 3.500 2.800 3.500 2.753 2.753 2.753 0.047 1 0 "[ ]" 1
29 1 13 SER HA 1 14 ASN H 3.500 2.800 3.500 2.766 2.766 2.766 0.034 1 0 "[ ]" 1
30 1 14 ASN HA 1 15 PHE H 3.500 2.800 3.500 2.849 2.849 2.849 . 0 0 "[ ]" 1
31 1 15 PHE HA 1 16 LEU H 2.800 . 2.800 2.482 2.482 2.482 . 0 0 "[ ]" 1
32 1 16 LEU HA 1 17 GLY H 2.800 . 2.800 2.756 2.756 2.756 . 0 0 "[ ]" 1
33 1 17 GLY QA 1 18 GLY H 2.800 . 3.800 2.239 2.239 2.239 . 0 0 "[ ]" 1
34 1 18 GLY QA 1 19 GLY H 2.800 . 3.800 2.156 2.156 2.156 . 0 0 "[ ]" 1
35 1 19 GLY QA 1 20 TYR H 2.800 . 3.800 2.151 2.151 2.151 . 0 0 "[ ]" 1
36 1 1 VAL HA 1 1 VAL HB 2.800 . 2.800 2.474 2.474 2.474 . 0 0 "[ ]" 1
37 1 1 VAL HA 1 1 VAL MG1 2.800 . 3.800 2.335 2.335 2.335 . 0 0 "[ ]" 1
38 1 1 VAL HA 1 1 VAL MG2 2.800 . 3.800 3.315 3.315 3.315 . 0 0 "[ ]" 1
39 1 1 VAL MG1 1 1 VAL MG2 2.800 . 4.800 2.159 2.159 2.159 . 0 0 "[ ]" 1
40 1 2 ILE H 1 2 ILE HB 2.800 . 2.800 2.320 2.320 2.320 . 0 0 "[ ]" 1
41 1 2 ILE H 1 2 ILE HG12 2.800 . 2.800 2.938 2.938 2.938 0.138 1 0 "[ ]" 1
42 1 2 ILE H 1 2 ILE HG13 2.800 . 2.800 1.759 1.759 1.759 0.041 1 0 "[ ]" 1
43 1 2 ILE H 1 2 ILE MD 3.500 2.800 4.500 3.226 3.226 3.226 . 0 0 "[ ]" 1
44 1 2 ILE HA 1 2 ILE HB 2.800 . 2.800 2.901 2.901 2.901 0.101 1 0 "[ ]" 1
45 1 2 ILE HA 1 2 ILE HG12 2.800 . 2.800 2.110 2.110 2.110 . 0 0 "[ ]" 1
46 1 2 ILE HA 1 2 ILE HG13 2.800 . 2.800 2.836 2.836 2.836 0.036 1 0 "[ ]" 1
47 1 2 ILE HA 1 2 ILE MD 3.500 2.800 4.500 3.485 3.485 3.485 . 0 0 "[ ]" 1
48 1 2 ILE HB 1 2 ILE HG12 2.800 . 2.800 3.006 3.006 3.006 0.206 1 0 "[ ]" 1
49 1 2 ILE HB 1 2 ILE HG13 2.800 . 2.800 2.445 2.445 2.445 . 0 0 "[ ]" 1
50 1 2 ILE HB 1 2 ILE MD 2.800 . 3.800 2.348 2.348 2.348 . 0 0 "[ ]" 1
51 1 3 LYS HA 1 3 LYS HB2 2.800 . 2.800 2.945 2.945 2.945 0.145 1 0 "[ ]" 1
52 1 3 LYS HA 1 3 LYS HB3 2.800 . 2.800 2.514 2.514 2.514 . 0 0 "[ ]" 1
53 1 3 LYS HA 1 3 LYS QD 2.800 . 3.800 3.630 3.630 3.630 . 0 0 "[ ]" 1
54 1 3 LYS HA 1 3 LYS HG2 2.800 . 2.800 2.099 2.099 2.099 . 0 0 "[ ]" 1
55 1 3 LYS HA 1 3 LYS HG3 2.800 . 2.800 2.923 2.923 2.923 0.123 1 0 "[ ]" 1
56 1 3 LYS HB2 1 3 LYS QD 2.800 . 3.800 3.095 3.095 3.095 . 0 0 "[ ]" 1
57 1 3 LYS HB2 1 3 LYS HG2 2.800 . 2.800 3.001 3.001 3.001 0.201 1 0 "[ ]" 1
58 1 3 LYS HB2 1 3 LYS HG3 2.800 . 2.800 2.406 2.406 2.406 . 0 0 "[ ]" 1
59 1 4 HIS H 1 4 HIS HB2 2.800 . 2.800 2.981 2.981 2.981 0.181 1 0 "[ ]" 1
60 1 4 HIS H 1 4 HIS HB3 3.500 2.800 3.500 3.757 3.757 3.757 0.257 1 0 "[ ]" 1
61 1 4 HIS H 1 4 HIS HD2 2.800 . 3.800 3.928 3.928 3.928 0.128 1 0 "[ ]" 1
62 1 4 HIS HA 1 4 HIS HB2 2.800 . 2.800 2.952 2.952 2.952 0.152 1 0 "[ ]" 1
63 1 4 HIS HA 1 4 HIS HB3 2.800 . 2.800 2.543 2.543 2.543 . 0 0 "[ ]" 1
64 1 4 HIS HA 1 4 HIS HD2 2.800 . 3.800 2.341 2.341 2.341 . 0 0 "[ ]" 1
65 1 5 ASN HA 1 5 ASN HD21 3.500 2.800 3.500 2.832 2.832 2.832 . 0 0 "[ ]" 1
66 1 5 ASN HA 1 5 ASN HD22 5.000 3.500 5.000 3.944 3.944 3.944 . 0 0 "[ ]" 1
67 1 5 ASN QB 1 5 ASN HD21 3.500 2.800 4.500 2.315 2.315 2.315 0.485 1 0 "[ ]" 1
68 1 5 ASN QB 1 5 ASN HD22 2.800 . 3.800 3.400 3.400 3.400 . 0 0 "[ ]" 1
69 1 6 ARG H 1 6 ARG QB 3.500 2.800 4.500 3.486 3.486 3.486 . 0 0 "[ ]" 1
70 1 6 ARG H 1 6 ARG QG 2.800 . 3.800 3.102 3.102 3.102 . 0 0 "[ ]" 1
71 1 6 ARG H 1 6 ARG QD 2.800 . 3.800 3.075 3.075 3.075 . 0 0 "[ ]" 1
72 1 6 ARG HA 1 6 ARG QD 3.500 2.800 4.500 3.709 3.709 3.709 . 0 0 "[ ]" 1
73 1 6 ARG HA 1 6 ARG QG 3.500 2.800 4.500 2.402 2.402 2.402 0.398 1 0 "[ ]" 1
74 1 6 ARG QB 1 6 ARG QD 3.500 2.800 5.500 2.308 2.308 2.308 0.492 1 0 "[ ]" 1
75 1 6 ARG QG 1 6 ARG QH 2.800 . 6.200 2.620 2.620 2.620 . 0 0 "[ ]" 1
76 1 6 ARG QD 1 6 ARG QH 2.800 . 6.200 2.040 2.040 2.040 . 0 0 "[ ]" 1
77 1 7 PHE H 1 7 PHE HB2 2.800 . 2.800 2.806 2.806 2.806 0.006 1 0 "[ ]" 1
78 1 7 PHE H 1 7 PHE HB3 2.800 . 2.800 2.826 2.826 2.826 0.026 1 0 "[ ]" 1
79 1 7 PHE HA 1 7 PHE HB2 2.800 . 2.800 2.601 2.601 2.601 . 0 0 "[ ]" 1
80 1 7 PHE HA 1 7 PHE HB3 2.800 . 2.800 2.976 2.976 2.976 0.176 1 0 "[ ]" 1
81 1 7 PHE HB2 1 7 PHE QE 2.800 . 4.800 4.457 4.457 4.457 . 0 0 "[ ]" 1
82 1 7 PHE HB3 1 7 PHE QE 2.800 . 4.800 4.519 4.519 4.519 . 0 0 "[ ]" 1
83 1 8 LEU H 1 8 LEU QB 2.800 . 3.800 2.456 2.456 2.456 . 0 0 "[ ]" 1
84 1 8 LEU H 1 8 LEU HG 3.500 2.800 3.500 3.690 3.690 3.690 0.190 1 0 "[ ]" 1
85 1 8 LEU H 1 8 LEU QD 3.500 2.800 4.500 2.092 2.092 2.092 0.708 1 1 [+] 1
86 1 8 LEU HA 1 8 LEU HG 3.500 2.800 3.500 3.724 3.724 3.724 0.224 1 0 "[ ]" 1
87 1 8 LEU HA 1 8 LEU QD 3.500 2.800 4.500 2.123 2.123 2.123 0.677 1 1 [+] 1
88 1 8 LEU MD1 1 8 LEU MD2 2.800 . 4.800 2.128 2.128 2.128 . 0 0 "[ ]" 1
89 1 9 SER HA 1 9 SER HB2 2.800 . 2.800 2.423 2.423 2.423 . 0 0 "[ ]" 1
90 1 9 SER HA 1 9 SER HB3 2.800 . 2.800 2.973 2.973 2.973 0.173 1 0 "[ ]" 1
91 1 9 SER H 1 9 SER HB2 2.800 . 2.800 2.992 2.992 2.992 0.192 1 0 "[ ]" 1
92 1 9 SER H 1 9 SER HB3 2.800 2.800 3.800 3.713 3.713 3.713 . 0 0 "[ ]" 1
93 1 10 GLU H 1 10 GLU QG 2.800 2.800 3.800 2.639 2.639 2.639 0.161 1 0 "[ ]" 1
94 1 10 GLU H 1 10 GLU HB2 2.800 2.800 3.500 3.422 3.422 3.422 . 0 0 "[ ]" 1
95 1 10 GLU H 1 10 GLU HB3 2.800 2.800 3.500 3.889 3.889 3.889 0.389 1 0 "[ ]" 1
96 1 10 GLU HA 1 10 GLU HB2 2.800 2.800 3.500 3.106 3.106 3.106 . 0 0 "[ ]" 1
97 1 10 GLU HA 1 10 GLU HB3 2.800 2.800 3.500 2.581 2.581 2.581 0.219 1 0 "[ ]" 1
98 1 10 GLU HA 1 10 GLU QG 3.500 3.500 4.500 3.111 3.111 3.111 0.389 1 0 "[ ]" 1
99 1 11 TYR HA 1 11 TYR QD 2.800 . 4.800 2.719 2.719 2.719 . 0 0 "[ ]" 1
100 1 11 TYR HA 1 11 TYR QE 3.500 2.800 5.500 4.581 4.581 4.581 . 0 0 "[ ]" 1
101 1 12 GLN H 1 12 GLN QB 2.800 2.800 2.800 2.804 2.804 2.804 0.004 1 0 "[ ]" 1
102 1 12 GLN H 1 12 GLN QG 3.500 2.800 4.500 4.020 4.020 4.020 . 0 0 "[ ]" 1
103 1 12 GLN HA 1 12 GLN QB 2.800 . 2.800 2.407 2.407 2.407 . 0 0 "[ ]" 1
104 1 12 GLN HA 1 12 GLN QG 2.800 . 3.800 2.362 2.362 2.362 . 0 0 "[ ]" 1
105 1 13 SER H 1 13 SER HB2 2.800 . 2.800 2.966 2.966 2.966 0.166 1 0 "[ ]" 1
106 1 13 SER H 1 13 SER HB3 3.500 2.800 4.500 3.640 3.640 3.640 . 0 0 "[ ]" 1
107 1 13 SER HA 1 13 SER HB2 2.800 . 2.800 2.425 2.425 2.425 . 0 0 "[ ]" 1
108 1 13 SER HA 1 13 SER HB3 2.800 . 2.800 2.982 2.982 2.982 0.182 1 0 "[ ]" 1
109 1 14 ASN HA 1 14 ASN HD22 3.500 2.800 3.500 3.622 3.622 3.622 0.122 1 0 "[ ]" 1
110 1 14 ASN HA 1 14 ASN HD21 5.000 3.500 5.000 3.417 3.417 3.417 0.083 1 0 "[ ]" 1
111 1 14 ASN QB 1 14 ASN HD22 3.500 2.800 4.500 3.327 3.327 3.327 . 0 0 "[ ]" 1
112 1 14 ASN QB 1 14 ASN HD21 2.800 . 3.800 2.211 2.211 2.211 . 0 0 "[ ]" 1
113 1 15 PHE H 1 15 PHE HB2 2.800 . 2.800 2.878 2.878 2.878 0.078 1 0 "[ ]" 1
114 1 15 PHE H 1 15 PHE HB3 3.500 2.800 4.500 3.590 3.590 3.590 . 0 0 "[ ]" 1
115 1 15 PHE HA 1 15 PHE HB2 2.800 . 2.800 2.444 2.444 2.444 . 0 0 "[ ]" 1
116 1 15 PHE HA 1 15 PHE HB3 2.800 . 2.800 2.987 2.987 2.987 0.187 1 0 "[ ]" 1
117 1 16 LEU H 1 16 LEU QB 2.800 . 3.800 3.102 3.102 3.102 . 0 0 "[ ]" 1
118 1 16 LEU H 1 16 LEU HG 3.500 2.800 3.500 3.609 3.609 3.609 0.109 1 0 "[ ]" 1
119 1 16 LEU H 1 16 LEU QD 3.500 2.800 4.500 1.943 1.943 1.943 0.857 1 1 [+] 1
120 1 16 LEU HA 1 16 LEU HG 3.500 2.800 3.500 3.637 3.637 3.637 0.137 1 0 "[ ]" 1
121 1 16 LEU HA 1 16 LEU QD 3.500 2.800 4.500 2.117 2.117 2.117 0.683 1 1 [+] 1
122 1 16 LEU MD1 1 16 LEU MD2 2.800 . 4.800 2.048 2.048 2.048 . 0 0 "[ ]" 1
123 1 20 TYR HA 1 20 TYR QD 2.800 . 4.800 2.859 2.859 2.859 . 0 0 "[ ]" 1
124 1 20 TYR HA 1 20 TYR QE 3.500 2.800 5.500 4.681 4.681 4.681 . 0 0 "[ ]" 1
125 1 2 ILE H 1 3 LYS H 2.800 . 2.800 2.968 2.968 2.968 0.168 1 0 "[ ]" 1
126 1 3 LYS H 1 4 HIS H 2.800 . 2.800 2.885 2.885 2.885 0.085 1 0 "[ ]" 1
127 1 4 HIS H 1 5 ASN H 2.800 . 2.800 2.953 2.953 2.953 0.153 1 0 "[ ]" 1
128 1 5 ASN H 1 6 ARG H 2.800 . 2.800 2.818 2.818 2.818 0.018 1 0 "[ ]" 1
129 1 6 ARG H 1 7 PHE H 2.800 . 2.800 2.798 2.798 2.798 . 0 0 "[ ]" 1
130 1 7 PHE H 1 8 LEU H 2.800 . 2.800 2.429 2.429 2.429 . 0 0 "[ ]" 1
131 1 8 LEU H 1 9 SER H 2.800 . 2.800 2.863 2.863 2.863 0.063 1 0 "[ ]" 1
132 1 9 SER H 1 10 GLU H 2.800 . 2.800 2.935 2.935 2.935 0.135 1 0 "[ ]" 1
133 1 10 GLU H 1 11 TYR H 2.800 . 2.800 2.834 2.834 2.834 0.034 1 0 "[ ]" 1
134 1 11 TYR H 1 12 GLN H 2.800 . 2.800 2.499 2.499 2.499 . 0 0 "[ ]" 1
135 1 12 GLN H 1 13 SER H 2.800 . 2.800 2.781 2.781 2.781 . 0 0 "[ ]" 1
136 1 13 SER H 1 14 ASN H 2.800 . 2.800 2.775 2.775 2.775 . 0 0 "[ ]" 1
137 1 14 ASN H 1 15 PHE H 2.800 . 2.800 2.510 2.510 2.510 . 0 0 "[ ]" 1
138 1 15 PHE H 1 16 LEU H 3.500 2.800 4.500 2.985 2.985 2.985 . 0 0 "[ ]" 1
139 1 16 LEU H 1 17 GLY H 3.500 2.800 4.500 3.153 3.153 3.153 . 0 0 "[ ]" 1
140 1 17 GLY H 1 18 GLY H 3.500 2.800 4.500 3.503 3.503 3.503 . 0 0 "[ ]" 1
141 1 18 GLY H 1 19 GLY H 3.500 2.800 4.500 3.787 3.787 3.787 . 0 0 "[ ]" 1
142 1 19 GLY H 1 20 TYR H 3.500 2.800 4.500 4.513 4.513 4.513 0.013 1 0 "[ ]" 1
143 1 2 ILE HB 1 3 LYS H 3.500 2.800 4.500 2.725 2.725 2.725 0.075 1 0 "[ ]" 1
144 1 5 ASN QB 1 6 ARG H 3.500 2.800 4.500 3.918 3.918 3.918 . 0 0 "[ ]" 1
145 1 15 PHE HB2 1 16 LEU H 3.500 2.800 4.500 4.588 4.588 4.588 0.088 1 0 "[ ]" 1
146 1 15 PHE HB3 1 16 LEU H 3.500 2.800 4.500 4.506 4.506 4.506 0.006 1 0 "[ ]" 1
147 1 16 LEU QB 1 17 GLY H 3.500 2.800 4.500 4.015 4.015 4.015 . 0 0 "[ ]" 1
148 1 6 ARG QB 1 7 PHE H 3.500 2.800 4.500 3.979 3.979 3.979 . 0 0 "[ ]" 1
149 1 12 GLN QB 1 13 SER H 3.500 2.800 4.500 4.019 4.019 4.019 . 0 0 "[ ]" 1
150 1 4 HIS HB2 1 5 ASN H 3.500 2.800 4.500 4.240 4.240 4.240 . 0 0 "[ ]" 1
151 1 4 HIS HB3 1 5 ASN H 3.500 2.800 4.500 4.389 4.389 4.389 . 0 0 "[ ]" 1
152 1 2 ILE HA 1 5 ASN H 3.500 2.800 4.500 4.540 4.540 4.540 0.040 1 0 "[ ]" 1
153 1 9 SER HA 1 12 GLN H 3.500 2.800 4.500 4.627 4.627 4.627 0.127 1 0 "[ ]" 1
154 1 10 GLU HA 1 13 SER H 3.500 2.800 4.500 4.707 4.707 4.707 0.207 1 0 "[ ]" 1
155 1 11 TYR HA 1 14 ASN H 3.500 2.800 4.500 4.645 4.645 4.645 0.145 1 0 "[ ]" 1
156 1 12 GLN HA 1 15 PHE H 3.500 2.800 4.500 4.618 4.618 4.618 0.118 1 0 "[ ]" 1
157 1 13 SER HA 1 16 LEU H 5.000 3.500 5.000 5.148 5.148 5.148 0.148 1 0 "[ ]" 1
158 1 14 ASN HA 1 17 GLY H 3.500 2.800 4.500 4.676 4.676 4.676 0.176 1 0 "[ ]" 1
159 1 7 PHE HA 1 9 SER H 3.500 2.800 4.500 4.406 4.406 4.406 . 0 0 "[ ]" 1
160 1 9 SER HA 1 11 TYR H 3.500 2.800 4.500 4.598 4.598 4.598 0.098 1 0 "[ ]" 1
161 1 10 GLU HA 1 12 GLN H 3.500 2.800 4.500 4.536 4.536 4.536 0.036 1 0 "[ ]" 1
162 1 13 SER HA 1 15 PHE H 3.500 2.800 4.500 4.523 4.523 4.523 0.023 1 0 "[ ]" 1
163 1 9 SER HB2 1 12 GLN HA 3.500 2.800 4.500 4.523 4.523 4.523 0.023 1 0 "[ ]" 1
164 1 9 SER HB3 1 12 GLN HA 2.800 . 2.800 2.746 2.746 2.746 . 0 0 "[ ]" 1
165 1 8 LEU QB 1 11 TYR HA 2.800 . 3.800 3.112 3.112 3.112 . 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 2
_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 9 SER 0.000 0.000 . 0 "[ ]"
1 11 TYR 0.000 0.000 . 0 "[ ]"
1 13 SER 0.000 0.000 . 0 "[ ]"
1 15 PHE 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 11 TYR O 1 15 PHE H . . 2.500 2.200 2.200 2.200 . 0 0 "[ ]" 2
2 1 9 SER O 1 13 SER H . . 2.500 2.011 2.011 2.011 . 0 0 "[ ]" 2
stop_
save_
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