NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
368238 |
1aqq   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1aqq
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 15
_Distance_constraint_stats_list.Viol_count 61
_Distance_constraint_stats_list.Viol_total 3.529
_Distance_constraint_stats_list.Viol_max 0.017
_Distance_constraint_stats_list.Viol_rms 0.0041
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0024
_Distance_constraint_stats_list.Viol_average_violations_only 0.0058
_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 7 CYS 0.077 0.017 8 0 "[ . 1]"
1 9 CYS 0.000 0.000 6 0 "[ . 1]"
1 11 CYS 0.101 0.011 2 0 "[ . 1]"
1 14 CYS 0.040 0.007 1 0 "[ . 1]"
1 20 CYS 0.072 0.017 8 0 "[ . 1]"
1 24 CYS 0.098 0.015 6 0 "[ . 1]"
1 26 CYS 0.157 0.015 6 0 "[ . 1]"
1 30 CYS 0.065 0.011 2 0 "[ . 1]"
1 36 CYS 0.031 0.005 10 0 "[ . 1]"
1 38 CYS 0.062 0.014 9 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 CYS SG 1 20 CYS SG 5.000 5.000 5.000 4.993 4.983 4.998 0.017 8 0 "[ . 1]" 1
2 1 7 CYS SG 1 9 CYS SG 4.330 3.880 4.780 4.224 3.975 4.566 . 0 0 "[ . 1]" 1
3 1 9 CYS SG 1 24 CYS SG 4.330 3.880 4.780 4.567 4.228 4.780 . 6 0 "[ . 1]" 1
4 1 7 CYS SG 1 24 CYS SG 4.330 3.880 4.780 4.181 3.877 4.781 0.003 3 0 "[ . 1]" 1
5 1 24 CYS SG 1 38 CYS SG 4.330 3.880 4.780 4.428 3.993 4.731 . 0 0 "[ . 1]" 1
6 1 14 CYS SG 1 38 CYS SG 4.330 3.880 4.780 4.409 3.877 4.782 0.003 7 0 "[ . 1]" 1
7 1 14 CYS SG 1 36 CYS SG 4.330 3.880 4.780 4.655 4.104 4.784 0.004 2 0 "[ . 1]" 1
8 1 11 CYS SG 1 14 CYS SG 4.330 3.880 4.780 4.653 4.347 4.787 0.007 1 0 "[ . 1]" 1
9 1 11 CYS SG 1 30 CYS SG 5.000 5.000 5.000 4.994 4.989 5.000 0.011 2 0 "[ . 1]" 1
10 1 11 CYS SG 1 36 CYS SG 4.330 3.880 4.780 4.173 3.875 4.715 0.005 10 0 "[ . 1]" 1
11 1 26 CYS SG 1 30 CYS SG 4.330 3.880 4.780 4.133 3.882 4.365 . 0 0 "[ . 1]" 1
12 1 30 CYS SG 1 36 CYS SG 4.330 3.880 4.780 4.284 3.903 4.708 . 0 0 "[ . 1]" 1
13 1 26 CYS SG 1 38 CYS SG 4.330 3.880 4.780 4.776 4.696 4.794 0.014 9 0 "[ . 1]" 1
14 1 26 CYS SG 1 36 CYS SG 4.330 3.880 4.780 4.545 3.963 4.784 0.004 6 0 "[ . 1]" 1
15 1 24 CYS SG 1 26 CYS SG 4.330 3.880 4.780 4.039 3.865 4.484 0.015 6 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 204
_Distance_constraint_stats_list.Viol_count 530
_Distance_constraint_stats_list.Viol_total 576.012
_Distance_constraint_stats_list.Viol_max 0.378
_Distance_constraint_stats_list.Viol_rms 0.0619
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0282
_Distance_constraint_stats_list.Viol_average_violations_only 0.1087
_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 GLN 0.000 0.000 . 0 "[ . 1]"
1 2 ASN 0.000 0.000 . 0 "[ . 1]"
1 3 GLU 3.605 0.188 7 0 "[ . 1]"
1 4 GLY 1.610 0.184 8 0 "[ . 1]"
1 5 HIS 7.919 0.312 4 0 "[ . 1]"
1 6 GLU 0.006 0.006 2 0 "[ . 1]"
1 7 CYS 0.739 0.078 1 0 "[ . 1]"
1 8 GLN 3.878 0.203 5 0 "[ . 1]"
1 9 CYS 3.390 0.237 7 0 "[ . 1]"
1 10 GLN 0.000 0.000 . 0 "[ . 1]"
1 11 CYS 2.827 0.270 7 0 "[ . 1]"
1 12 GLY 0.441 0.065 7 0 "[ . 1]"
1 13 SER 0.000 0.000 . 0 "[ . 1]"
1 14 CYS 4.560 0.277 7 0 "[ . 1]"
1 15 LYS 0.484 0.078 7 0 "[ . 1]"
1 16 ASN 0.000 0.000 . 0 "[ . 1]"
1 17 ASN 0.615 0.092 2 0 "[ . 1]"
1 18 GLU 0.449 0.106 2 0 "[ . 1]"
1 19 GLN 2.962 0.233 2 0 "[ . 1]"
1 20 CYS 3.700 0.233 2 0 "[ . 1]"
1 21 GLN 0.554 0.078 1 0 "[ . 1]"
1 22 LYS 1.523 0.293 9 0 "[ . 1]"
1 23 SER 2.825 0.293 9 0 "[ . 1]"
1 24 CYS 6.677 0.378 2 0 "[ . 1]"
1 25 SER 1.206 0.120 10 0 "[ . 1]"
1 26 CYS 5.165 0.206 8 0 "[ . 1]"
1 27 PRO 1.346 0.122 4 0 "[ . 1]"
1 28 THR 3.481 0.196 2 0 "[ . 1]"
1 29 GLY 3.684 0.276 5 0 "[ . 1]"
1 30 CYS 7.348 0.276 5 0 "[ . 1]"
1 31 ASN 0.444 0.085 5 0 "[ . 1]"
1 32 SER 0.345 0.070 5 0 "[ . 1]"
1 33 ASP 0.349 0.090 5 0 "[ . 1]"
1 34 ASP 4.289 0.238 8 0 "[ . 1]"
1 35 LYS 3.170 0.238 8 0 "[ . 1]"
1 36 CYS 7.803 0.264 7 0 "[ . 1]"
1 37 PRO 0.810 0.125 10 0 "[ . 1]"
1 38 CYS 8.504 0.322 3 0 "[ . 1]"
1 39 GLY 3.246 0.322 3 0 "[ . 1]"
1 40 ASN 1.224 0.168 10 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 GLN HA 1 2 ASN H 1.800 . 3.600 2.910 2.388 3.586 . 0 0 "[ . 1]" 2
2 1 1 GLN H1 1 2 ASN H 1.800 . 4.600 2.858 1.891 4.299 . 0 0 "[ . 1]" 2
3 1 2 ASN HA 1 3 GLU H 1.800 . 3.200 2.802 2.242 3.121 . 0 0 "[ . 1]" 2
4 1 2 ASN QB 1 3 GLU H 1.800 . 4.200 3.373 2.020 3.847 . 0 0 "[ . 1]" 2
5 1 3 GLU HA 1 4 GLY H 1.800 . 2.700 2.861 2.842 2.884 0.184 8 0 "[ . 1]" 2
6 1 3 GLU HA 1 5 HIS HE1 1.800 . 3.600 3.634 3.614 3.660 0.060 6 0 "[ . 1]" 2
7 1 3 GLU H 1 4 GLY H 1.800 . 3.600 2.786 2.531 3.021 . 0 0 "[ . 1]" 2
8 1 3 GLU HA 1 5 HIS HD2 1.800 . 3.600 3.765 3.741 3.788 0.188 7 0 "[ . 1]" 2
9 1 3 GLU H 1 3 GLU QB 1.800 . 3.700 2.686 2.486 2.904 . 0 0 "[ . 1]" 2
10 1 3 GLU H 1 3 GLU QG 1.800 . 4.200 2.064 1.837 2.283 . 0 0 "[ . 1]" 2
11 1 3 GLU QG 1 4 GLY H 1.800 . 4.200 3.386 3.295 3.423 . 0 0 "[ . 1]" 2
12 1 4 GLY QA 1 5 HIS H 1.800 . 3.700 2.602 2.584 2.638 . 0 0 "[ . 1]" 2
13 1 5 HIS HA 1 6 GLU H 1.800 . 4.500 2.613 2.587 2.687 . 0 0 "[ . 1]" 2
14 1 5 HIS H 1 6 GLU H 1.800 . 4.500 4.414 4.369 4.440 . 0 0 "[ . 1]" 2
15 1 5 HIS QB 1 6 GLU H 1.800 . 3.700 2.161 2.022 2.244 . 0 0 "[ . 1]" 2
16 1 5 HIS HD2 1 28 THR MG 1.800 . 6.000 2.285 2.002 2.608 . 0 0 "[ . 1]" 2
17 1 5 HIS HE1 1 28 THR MG 1.800 . 6.000 4.973 4.852 5.037 . 0 0 "[ . 1]" 2
18 1 5 HIS HE1 1 26 CYS HB2 1.800 . 3.600 3.728 3.644 3.786 0.186 3 0 "[ . 1]" 2
19 1 5 HIS HE1 1 8 GLN H 1.800 . 4.500 4.470 4.265 4.551 0.051 4 0 "[ . 1]" 2
20 1 5 HIS HD2 1 8 GLN H 1.800 . 4.500 4.685 4.655 4.703 0.203 5 0 "[ . 1]" 2
21 1 5 HIS HD2 1 25 SER HA 1.800 . 4.500 4.598 4.579 4.620 0.120 10 0 "[ . 1]" 2
22 1 5 HIS HE1 1 24 CYS HB3 1.800 . 3.600 3.723 3.615 3.912 0.312 4 0 "[ . 1]" 2
23 1 5 HIS HE1 1 26 CYS H 1.800 . 4.500 3.854 3.705 4.009 . 0 0 "[ . 1]" 2
24 1 5 HIS H 1 23 SER HA 1.800 . 4.500 4.543 4.498 4.586 0.086 3 0 "[ . 1]" 2
25 1 5 HIS QB 1 5 HIS HD2 1.800 . 3.700 2.777 2.755 2.790 . 0 0 "[ . 1]" 2
26 1 6 GLU HA 1 7 CYS H 1.800 . 3.600 2.224 2.193 2.262 . 0 0 "[ . 1]" 2
27 1 6 GLU H 1 7 CYS H 1.800 . 4.500 4.450 4.401 4.506 0.006 2 0 "[ . 1]" 2
28 1 6 GLU QB 1 7 CYS H 1.800 . 3.700 3.316 3.265 3.363 . 0 0 "[ . 1]" 2
29 1 6 GLU H 1 6 GLU QG 1.800 . 4.200 2.335 1.840 2.819 . 0 0 "[ . 1]" 2
30 1 6 GLU QB 1 8 GLN QE 1.800 . 5.600 3.747 2.526 4.286 . 0 0 "[ . 1]" 2
31 1 6 GLU QG 1 7 CYS H 1.800 . 4.600 4.148 4.104 4.211 . 0 0 "[ . 1]" 2
32 1 7 CYS H 1 21 GLN HA 1.800 . 4.500 3.891 3.649 4.060 . 0 0 "[ . 1]" 2
33 1 7 CYS HA 1 8 GLN H 1.800 . 2.700 2.219 2.194 2.245 . 0 0 "[ . 1]" 2
34 1 7 CYS H 1 8 GLN H 1.800 . 4.500 4.445 4.379 4.511 0.011 8 0 "[ . 1]" 2
35 1 7 CYS HB3 1 8 GLN H 1.800 . 4.500 4.413 4.313 4.522 0.022 9 0 "[ . 1]" 2
36 1 7 CYS HB2 1 8 GLN H 1.800 . 4.500 4.480 4.331 4.536 0.036 6 0 "[ . 1]" 2
37 1 7 CYS HB3 1 21 GLN HA 1.800 . 2.700 2.754 2.721 2.778 0.078 1 0 "[ . 1]" 2
38 1 7 CYS H 1 7 CYS HB3 1.800 . 2.700 2.580 2.312 2.724 0.024 6 0 "[ . 1]" 2
39 1 7 CYS H 1 7 CYS HB2 1.800 . 2.700 2.370 2.179 2.675 . 0 0 "[ . 1]" 2
40 1 8 GLN HA 1 9 CYS H 1.800 . 4.500 2.992 2.867 3.083 . 0 0 "[ . 1]" 2
41 1 8 GLN H 1 9 CYS H 1.800 . 2.700 2.778 2.749 2.809 0.109 4 0 "[ . 1]" 2
42 1 8 GLN QB 1 9 CYS H 1.800 . 4.200 3.758 3.692 3.828 . 0 0 "[ . 1]" 2
43 1 8 GLN H 1 8 GLN QG 1.800 . 4.200 3.470 2.934 3.893 . 0 0 "[ . 1]" 2
44 1 8 GLN QE 1 28 THR MG 1.800 . 5.600 3.156 2.191 3.855 . 0 0 "[ . 1]" 2
45 1 8 GLN H 1 9 CYS HB2 1.800 . 4.500 4.593 4.560 4.619 0.119 5 0 "[ . 1]" 2
46 1 9 CYS HA 1 10 GLN H 1.800 . 3.200 2.344 2.236 2.920 . 0 0 "[ . 1]" 2
47 1 9 CYS H 1 14 CYS HB2 1.800 . 3.600 3.761 3.688 3.837 0.237 7 0 "[ . 1]" 2
48 1 9 CYS H 1 14 CYS HB3 1.800 . 4.500 3.258 2.722 3.851 . 0 0 "[ . 1]" 2
49 1 9 CYS HB2 1 14 CYS HB3 1.800 . 3.600 2.128 1.956 2.299 . 0 0 "[ . 1]" 2
50 1 9 CYS HB2 1 14 CYS HB2 1.800 . 3.200 1.977 1.776 2.192 0.024 2 0 "[ . 1]" 2
51 1 9 CYS H 1 9 CYS HB2 1.800 . 2.700 2.126 1.993 2.367 . 0 0 "[ . 1]" 2
52 1 9 CYS H 1 9 CYS HB3 1.800 . 3.600 3.460 3.394 3.587 . 0 0 "[ . 1]" 2
53 1 10 GLN HA 1 11 CYS H 1.800 . 3.200 3.128 3.081 3.193 . 0 0 "[ . 1]" 2
54 1 10 GLN H 1 10 GLN QG 1.800 . 4.200 3.423 2.486 3.850 . 0 0 "[ . 1]" 2
55 1 10 GLN HA 1 10 GLN QE 1.800 . 5.500 4.217 3.147 4.664 . 0 0 "[ . 1]" 2
56 1 11 CYS H 1 11 CYS HB3 1.800 . 3.200 3.437 3.410 3.470 0.270 7 0 "[ . 1]" 2
57 1 11 CYS H 1 11 CYS HB2 1.800 . 2.700 2.524 2.400 2.714 0.014 7 0 "[ . 1]" 2
58 1 11 CYS HA 1 12 GLY H 1.800 . 2.700 2.650 2.409 2.755 0.055 4 0 "[ . 1]" 2
59 1 11 CYS HA 1 13 SER H 1.800 . 4.500 4.208 3.920 4.380 . 0 0 "[ . 1]" 2
60 1 11 CYS H 1 12 GLY H 1.800 . 4.500 4.405 4.295 4.540 0.040 8 0 "[ . 1]" 2
61 1 11 CYS HB2 1 12 GLY H 1.800 . 3.200 2.900 2.656 3.265 0.065 7 0 "[ . 1]" 2
62 1 11 CYS HB2 1 13 SER H 1.800 . 4.500 2.645 2.275 2.948 . 0 0 "[ . 1]" 2
63 1 11 CYS HB2 1 14 CYS H 1.800 . 4.500 2.395 2.324 2.444 . 0 0 "[ . 1]" 2
64 1 12 GLY QA 1 13 SER H 1.800 . 4.200 2.886 2.848 2.921 . 0 0 "[ . 1]" 2
65 1 12 GLY QA 1 14 CYS H 1.800 . 4.600 4.057 3.797 4.157 . 0 0 "[ . 1]" 2
66 1 12 GLY H 1 13 SER H 1.800 . 3.200 2.065 1.846 2.476 . 0 0 "[ . 1]" 2
67 1 12 GLY H 1 14 CYS H 1.800 . 4.500 3.871 3.506 4.405 . 0 0 "[ . 1]" 2
68 1 12 GLY H 1 15 LYS QD 1.800 . 5.500 4.297 3.321 4.826 . 0 0 "[ . 1]" 2
69 1 12 GLY H 1 15 LYS QG 1.800 . 5.500 4.353 4.098 4.554 . 0 0 "[ . 1]" 2
70 1 12 GLY H 1 15 LYS QB 1.800 . 5.500 4.647 4.578 4.754 . 0 0 "[ . 1]" 2
71 1 13 SER HA 1 14 CYS H 1.800 . 3.600 3.560 3.525 3.582 . 0 0 "[ . 1]" 2
72 1 13 SER H 1 14 CYS H 1.800 . 3.200 2.423 2.324 2.524 . 0 0 "[ . 1]" 2
73 1 13 SER H 1 15 LYS H 1.800 . 4.500 4.123 3.939 4.279 . 0 0 "[ . 1]" 2
74 1 13 SER QB 1 14 CYS H 1.800 . 5.500 2.801 2.550 3.347 . 0 0 "[ . 1]" 2
75 1 14 CYS HA 1 16 ASN H 1.800 . 4.500 3.983 3.683 4.317 . 0 0 "[ . 1]" 2
76 1 14 CYS H 1 15 LYS H 1.800 . 2.700 2.434 2.273 2.590 . 0 0 "[ . 1]" 2
77 1 14 CYS HB3 1 15 LYS H 1.800 . 3.200 3.234 3.055 3.278 0.078 7 0 "[ . 1]" 2
78 1 14 CYS HB2 1 15 LYS H 1.800 . 2.700 2.130 1.897 2.408 . 0 0 "[ . 1]" 2
79 1 14 CYS H 1 14 CYS HB3 1.800 . 3.200 3.440 3.397 3.477 0.277 7 0 "[ . 1]" 2
80 1 14 CYS H 1 14 CYS HB2 1.800 . 2.700 2.305 2.095 2.519 . 0 0 "[ . 1]" 2
81 1 15 LYS HA 1 16 ASN H 1.800 . 4.500 3.544 3.475 3.609 . 0 0 "[ . 1]" 2
82 1 15 LYS H 1 16 ASN H 1.800 . 4.500 2.947 2.623 3.107 . 0 0 "[ . 1]" 2
83 1 15 LYS H 1 15 LYS QB 1.800 . 3.700 2.122 1.930 2.438 . 0 0 "[ . 1]" 2
84 1 15 LYS H 1 15 LYS QG 1.800 . 3.700 2.645 2.036 3.229 . 0 0 "[ . 1]" 2
85 1 15 LYS QE 1 16 ASN QD 1.800 . 5.200 3.433 2.748 3.907 . 0 0 "[ . 1]" 2
86 1 15 LYS QG 1 16 ASN QD 1.800 . 6.500 3.578 1.888 4.248 . 0 0 "[ . 1]" 2
87 1 17 ASN HA 1 18 GLU H 1.800 . 2.700 2.228 2.187 2.260 . 0 0 "[ . 1]" 2
88 1 17 ASN HA 1 19 GLN H 1.800 . 3.200 3.262 3.241 3.292 0.092 2 0 "[ . 1]" 2
89 1 17 ASN H 1 18 GLU H 1.800 . 4.500 4.303 3.844 4.431 . 0 0 "[ . 1]" 2
90 1 17 ASN QB 1 18 GLU H 1.800 . 5.500 3.870 3.735 3.932 . 0 0 "[ . 1]" 2
91 1 18 GLU HA 1 19 GLN H 1.800 . 3.200 3.244 3.213 3.306 0.106 2 0 "[ . 1]" 2
92 1 18 GLU HA 1 20 CYS H 1.800 . 4.500 3.647 3.452 4.297 . 0 0 "[ . 1]" 2
93 1 18 GLU HA 1 21 GLN H 1.800 . 3.200 2.914 2.756 3.209 0.009 2 0 "[ . 1]" 2
94 1 18 GLU H 1 19 GLN H 1.800 . 3.200 2.649 2.608 2.686 . 0 0 "[ . 1]" 2
95 1 18 GLU H 1 18 GLU QB 1.800 . 3.700 2.387 2.081 2.576 . 0 0 "[ . 1]" 2
96 1 18 GLU H 1 18 GLU QG 1.800 . 3.700 2.216 1.846 2.788 . 0 0 "[ . 1]" 2
97 1 18 GLU HA 1 21 GLN QG 1.800 . 3.700 2.253 1.841 3.055 . 0 0 "[ . 1]" 2
98 1 19 GLN HA 1 20 CYS H 1.800 . 3.200 3.391 3.356 3.433 0.233 2 0 "[ . 1]" 2
99 1 19 GLN H 1 20 CYS H 1.800 . 2.700 2.400 2.225 2.531 . 0 0 "[ . 1]" 2
100 1 19 GLN H 1 21 GLN H 1.800 . 4.500 3.664 3.394 3.881 . 0 0 "[ . 1]" 2
101 1 19 GLN QB 1 20 CYS H 1.800 . 3.700 2.863 2.431 3.068 . 0 0 "[ . 1]" 2
102 1 19 GLN H 1 19 GLN QB 1.800 . 3.700 2.058 1.952 2.295 . 0 0 "[ . 1]" 2
103 1 19 GLN H 1 19 GLN QG 1.800 . 4.200 3.199 2.489 3.816 . 0 0 "[ . 1]" 2
104 1 20 CYS HA 1 21 GLN H 1.800 . 4.500 3.257 3.125 3.374 . 0 0 "[ . 1]" 2
105 1 20 CYS HA 1 23 SER H 1.800 . 4.500 4.086 3.057 4.568 0.068 9 0 "[ . 1]" 2
106 1 20 CYS H 1 21 GLN H 1.800 . 3.200 2.109 1.907 2.293 . 0 0 "[ . 1]" 2
107 1 20 CYS H 1 22 LYS H 1.800 . 4.500 4.459 4.041 4.571 0.071 5 0 "[ . 1]" 2
108 1 20 CYS H 1 20 CYS HB3 1.800 . 2.700 2.770 2.731 2.802 0.102 10 0 "[ . 1]" 2
109 1 20 CYS H 1 20 CYS HB2 1.800 . 3.600 3.675 3.611 3.709 0.109 7 0 "[ . 1]" 2
110 1 21 GLN HA 1 22 LYS H 1.800 . 3.600 3.119 2.989 3.343 . 0 0 "[ . 1]" 2
111 1 21 GLN H 1 22 LYS H 1.800 . 3.200 2.884 2.610 3.208 0.008 5 0 "[ . 1]" 2
112 1 21 GLN QB 1 22 LYS H 1.800 . 4.200 3.739 3.401 3.969 . 0 0 "[ . 1]" 2
113 1 21 GLN HA 1 21 GLN QE 1.800 . 5.500 4.363 4.120 4.636 . 0 0 "[ . 1]" 2
114 1 21 GLN H 1 22 LYS QD 1.800 . 5.500 4.123 3.088 4.786 . 0 0 "[ . 1]" 2
115 1 21 GLN H 1 21 GLN QB 1.800 . 3.700 2.142 1.941 2.427 . 0 0 "[ . 1]" 2
116 1 21 GLN H 1 21 GLN QG 1.800 . 3.700 2.738 2.218 3.364 . 0 0 "[ . 1]" 2
117 1 22 LYS HA 1 23 SER H 1.800 . 3.200 3.319 3.225 3.493 0.293 9 0 "[ . 1]" 2
118 1 22 LYS H 1 23 SER H 1.800 . 2.700 2.182 1.850 2.748 0.048 1 0 "[ . 1]" 2
119 1 22 LYS QB 1 23 SER H 1.800 . 4.200 3.299 1.920 3.918 . 0 0 "[ . 1]" 2
120 1 22 LYS H 1 22 LYS QG 1.800 . 3.700 2.438 1.879 3.285 . 0 0 "[ . 1]" 2
121 1 23 SER HA 1 24 CYS H 1.800 . 2.700 2.802 2.728 2.877 0.177 2 0 "[ . 1]" 2
122 1 23 SER H 1 24 CYS H 1.800 . 3.600 2.570 2.131 2.918 . 0 0 "[ . 1]" 2
123 1 23 SER QB 1 24 CYS H 1.800 . 4.600 3.847 3.743 3.920 . 0 0 "[ . 1]" 2
124 1 23 SER QB 1 40 ASN QD 1.800 . 5.600 4.103 3.327 4.398 . 0 0 "[ . 1]" 2
125 1 23 SER H 1 23 SER QB 1.800 . 3.700 2.699 2.566 2.812 . 0 0 "[ . 1]" 2
126 1 24 CYS HA 1 25 SER H 1.800 . 2.700 2.245 2.200 2.328 . 0 0 "[ . 1]" 2
127 1 24 CYS HA 1 26 CYS H 1.800 . 3.600 3.726 3.692 3.801 0.201 2 0 "[ . 1]" 2
128 1 24 CYS H 1 24 CYS HB3 1.800 . 3.200 2.573 2.070 3.301 0.101 4 0 "[ . 1]" 2
129 1 24 CYS H 1 24 CYS HB2 1.800 . 3.200 3.465 3.392 3.578 0.378 2 0 "[ . 1]" 2
130 1 24 CYS HB3 1 25 SER H 1.800 . 4.500 4.270 3.633 4.546 0.046 3 0 "[ . 1]" 2
131 1 25 SER HA 1 26 CYS H 1.800 . 3.600 3.174 3.110 3.252 . 0 0 "[ . 1]" 2
132 1 25 SER H 1 26 CYS H 1.800 . 3.200 2.844 2.555 2.990 . 0 0 "[ . 1]" 2
133 1 25 SER QB 1 26 CYS H 1.800 . 5.500 3.807 3.596 3.986 . 0 0 "[ . 1]" 2
134 1 26 CYS H 1 26 CYS HB3 1.800 . 3.200 3.392 3.366 3.406 0.206 8 0 "[ . 1]" 2
135 1 26 CYS H 1 26 CYS HB2 1.800 . 2.700 2.089 2.016 2.213 . 0 0 "[ . 1]" 2
136 1 26 CYS H 1 27 PRO QD 1.800 . 4.600 4.125 4.063 4.181 . 0 0 "[ . 1]" 2
137 1 26 CYS HB3 1 30 CYS H 1.800 . 3.600 3.671 3.644 3.702 0.102 8 0 "[ . 1]" 2
138 1 27 PRO HA 1 28 THR H 1.800 . 2.700 2.213 2.193 2.243 . 0 0 "[ . 1]" 2
139 1 27 PRO HA 1 29 GLY H 1.800 . 4.500 4.603 4.568 4.622 0.122 4 0 "[ . 1]" 2
140 1 27 PRO HA 1 28 THR HA 1.800 . 4.500 4.532 4.511 4.555 0.055 7 0 "[ . 1]" 2
141 1 27 PRO HA 1 28 THR MG 1.800 . 5.500 3.881 3.607 4.266 . 0 0 "[ . 1]" 2
142 1 27 PRO QB 1 28 THR H 1.800 . 4.200 3.766 3.729 3.811 . 0 0 "[ . 1]" 2
143 1 27 PRO QG 1 28 THR H 1.800 . 5.500 4.704 4.673 4.715 . 0 0 "[ . 1]" 2
144 1 27 PRO QD 1 30 CYS H 1.800 . 5.500 4.181 4.077 4.375 . 0 0 "[ . 1]" 2
145 1 27 PRO QD 1 30 CYS QB 1.800 . 6.500 3.551 3.373 3.789 . 0 0 "[ . 1]" 2
146 1 27 PRO QG 1 30 CYS H 1.800 . 5.500 3.908 3.851 3.992 . 0 0 "[ . 1]" 2
147 1 27 PRO QB 1 30 CYS H 1.800 . 5.500 4.803 4.792 4.817 . 0 0 "[ . 1]" 2
148 1 28 THR HA 1 29 GLY H 1.800 . 2.700 2.186 2.141 2.242 . 0 0 "[ . 1]" 2
149 1 28 THR HA 1 30 CYS H 1.800 . 3.200 3.347 3.315 3.362 0.162 8 0 "[ . 1]" 2
150 1 28 THR H 1 29 GLY H 1.800 . 4.500 3.570 3.542 3.580 . 0 0 "[ . 1]" 2
151 1 28 THR H 1 30 CYS H 1.800 . 4.500 4.669 4.654 4.696 0.196 2 0 "[ . 1]" 2
152 1 28 THR MG 1 30 CYS H 1.800 . 6.000 4.923 4.886 4.977 . 0 0 "[ . 1]" 2
153 1 28 THR MG 1 29 GLY H 1.800 . 5.100 3.970 3.914 4.000 . 0 0 "[ . 1]" 2
154 1 28 THR H 1 28 THR HB 1.800 . 3.600 3.588 3.573 3.598 . 0 0 "[ . 1]" 2
155 1 28 THR H 1 28 THR MG 1.800 . 5.100 2.101 1.867 2.412 . 0 0 "[ . 1]" 2
156 1 29 GLY QA 1 30 CYS H 1.800 . 4.200 2.979 2.947 3.002 . 0 0 "[ . 1]" 2
157 1 29 GLY QA 1 31 ASN QD 1.800 . 5.600 3.516 2.861 4.034 . 0 0 "[ . 1]" 2
158 1 29 GLY H 1 30 CYS H 1.800 . 3.200 1.535 1.524 1.547 0.276 5 0 "[ . 1]" 2
159 1 30 CYS HA 1 31 ASN H 1.800 . 2.700 2.200 2.175 2.244 . 0 0 "[ . 1]" 2
160 1 30 CYS HA 1 32 SER H 1.800 . 4.500 3.907 3.476 4.510 0.010 8 0 "[ . 1]" 2
161 1 30 CYS H 1 31 ASN H 1.800 . 4.500 4.420 4.225 4.540 0.040 3 0 "[ . 1]" 2
162 1 30 CYS H 1 30 CYS HB3 1.800 . 2.700 2.736 2.712 2.778 0.078 5 0 "[ . 1]" 2
163 1 30 CYS H 1 30 CYS HB2 1.800 . 2.700 2.118 2.028 2.181 . 0 0 "[ . 1]" 2
164 1 30 CYS HB2 1 31 ASN H 1.800 . 4.500 4.524 4.436 4.585 0.085 5 0 "[ . 1]" 2
165 1 31 ASN H 1 32 SER H 1.800 . 2.700 2.190 1.865 2.498 . 0 0 "[ . 1]" 2
166 1 31 ASN QB 1 32 SER H 1.800 . 4.600 3.038 2.068 4.036 . 0 0 "[ . 1]" 2
167 1 31 ASN H 1 31 ASN QB 1.800 . 3.700 2.470 2.220 3.034 . 0 0 "[ . 1]" 2
168 1 31 ASN H 1 32 SER QB 1.800 . 5.500 4.026 3.140 4.977 . 0 0 "[ . 1]" 2
169 1 31 ASN H 1 31 ASN QD 1.800 . 5.500 3.952 3.313 4.482 . 0 0 "[ . 1]" 2
170 1 32 SER HA 1 33 ASP H 1.800 . 3.200 2.405 2.299 2.583 . 0 0 "[ . 1]" 2
171 1 32 SER HA 1 34 ASP H 1.800 . 4.500 4.486 4.282 4.570 0.070 5 0 "[ . 1]" 2
172 1 32 SER H 1 33 ASP H 1.800 . 4.500 4.299 3.977 4.536 0.036 10 0 "[ . 1]" 2
173 1 32 SER QB 1 33 ASP H 1.800 . 4.600 3.300 2.416 3.823 . 0 0 "[ . 1]" 2
174 1 32 SER QB 1 34 ASP H 1.800 . 5.500 3.980 2.901 4.835 . 0 0 "[ . 1]" 2
175 1 32 SER H 1 32 SER QB 1.800 . 3.700 2.601 2.295 2.960 . 0 0 "[ . 1]" 2
176 1 33 ASP HA 1 34 ASP H 1.800 . 3.600 3.096 2.385 3.570 . 0 0 "[ . 1]" 2
177 1 33 ASP H 1 34 ASP H 1.800 . 3.200 2.706 2.158 3.290 0.090 5 0 "[ . 1]" 2
178 1 33 ASP QB 1 34 ASP H 1.800 . 4.200 3.195 2.539 3.860 . 0 0 "[ . 1]" 2
179 1 33 ASP H 1 33 ASP QB 1.800 . 3.700 2.381 2.055 2.735 . 0 0 "[ . 1]" 2
180 1 34 ASP HA 1 35 LYS H 1.800 . 2.700 2.872 2.854 2.938 0.238 8 0 "[ . 1]" 2
181 1 34 ASP H 1 36 CYS H 1.800 . 4.500 4.629 4.595 4.675 0.175 8 0 "[ . 1]" 2
182 1 34 ASP HA 1 36 CYS H 1.800 . 3.200 3.258 3.098 3.304 0.104 1 0 "[ . 1]" 2
183 1 34 ASP H 1 34 ASP QB 1.800 . 3.700 2.292 2.146 2.518 . 0 0 "[ . 1]" 2
184 1 35 LYS HA 1 36 CYS H 1.800 . 2.700 2.845 2.798 2.878 0.178 6 0 "[ . 1]" 2
185 1 35 LYS H 1 36 CYS H 1.800 . 3.200 2.156 2.066 2.407 . 0 0 "[ . 1]" 2
186 1 36 CYS HA 1 38 CYS H 1.800 . 3.600 3.209 3.015 3.390 . 0 0 "[ . 1]" 2
187 1 36 CYS H 1 37 PRO QG 1.800 . 4.600 4.127 4.098 4.151 . 0 0 "[ . 1]" 2
188 1 36 CYS H 1 36 CYS HB3 1.800 . 2.700 2.765 2.603 2.895 0.195 4 0 "[ . 1]" 2
189 1 36 CYS H 1 36 CYS HB2 1.800 . 2.700 2.786 2.730 2.842 0.142 5 0 "[ . 1]" 2
190 1 36 CYS HB3 1 38 CYS H 1.800 . 3.600 3.710 3.610 3.826 0.226 8 0 "[ . 1]" 2
191 1 36 CYS HB2 1 38 CYS H 1.800 . 4.500 4.656 4.551 4.764 0.264 7 0 "[ . 1]" 2
192 1 37 PRO HA 1 38 CYS H 1.800 . 2.700 2.781 2.728 2.825 0.125 10 0 "[ . 1]" 2
193 1 37 PRO QB 1 38 CYS H 1.800 . 4.600 3.992 3.962 4.015 . 0 0 "[ . 1]" 2
194 1 37 PRO QG 1 38 CYS H 1.800 . 5.500 4.380 4.271 4.480 . 0 0 "[ . 1]" 2
195 1 37 PRO QD 1 38 CYS H 1.800 . 4.200 3.174 2.879 3.353 . 0 0 "[ . 1]" 2
196 1 38 CYS HA 1 39 GLY H 1.800 . 2.700 2.328 1.990 3.022 0.322 3 0 "[ . 1]" 2
197 1 38 CYS HA 1 40 ASN H 1.800 . 3.200 3.310 3.223 3.368 0.168 10 0 "[ . 1]" 2
198 1 38 CYS H 1 39 GLY H 1.800 . 4.500 3.925 2.584 4.517 0.017 9 0 "[ . 1]" 2
199 1 38 CYS HB2 1 39 GLY H 1.800 . 3.600 3.815 3.749 3.896 0.296 3 0 "[ . 1]" 2
200 1 38 CYS H 1 38 CYS HB3 1.800 . 2.700 2.192 1.883 2.715 0.015 7 0 "[ . 1]" 2
201 1 38 CYS H 1 38 CYS HB2 1.800 . 2.700 2.563 1.962 2.852 0.152 8 0 "[ . 1]" 2
202 1 39 GLY QA 1 40 ASN H 1.800 . 4.200 2.888 2.791 2.939 . 0 0 "[ . 1]" 2
203 1 39 GLY H 1 40 ASN H 1.800 . 3.600 2.175 1.762 3.123 0.038 8 0 "[ . 1]" 2
204 1 39 GLY H 1 40 ASN QD 1.800 . 4.600 3.691 2.421 4.149 . 0 0 "[ . 1]" 2
stop_
save_
Contact the webmaster for help, if required. Monday, April 29, 2024 10:22:31 AM GMT (wattos1)