NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
409562 |
1znu   |
6627 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1znu
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 236
_Distance_constraint_stats_list.Viol_count 488
_Distance_constraint_stats_list.Viol_total 1455.779
_Distance_constraint_stats_list.Viol_max 1.668
_Distance_constraint_stats_list.Viol_rms 0.1104
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0154
_Distance_constraint_stats_list.Viol_average_violations_only 0.1492
_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 CYS 1.983 0.633 17 1 "[ . 1 . + 2]"
1 2 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLU 7.313 0.856 16 5 "[ .** 1 .+- *2]"
1 4 THR 27.838 1.668 12 20 [********-**+********]
1 5 CYS 4.585 0.349 19 0 "[ . 1 . 2]"
1 6 VAL 1.685 0.061 12 0 "[ . 1 . 2]"
1 7 GLY 0.710 0.052 6 0 "[ . 1 . 2]"
1 8 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 THR 2.271 0.104 17 0 "[ . 1 . 2]"
1 10 CYS 6.835 0.349 19 0 "[ . 1 . 2]"
1 11 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 THR 0.318 0.070 19 0 "[ . 1 . 2]"
1 13 PRO 1.422 0.100 17 0 "[ . 1 . 2]"
1 14 GLY 2.489 0.100 17 0 "[ . 1 . 2]"
1 15 CYS 2.244 0.067 13 0 "[ . 1 . 2]"
1 16 THR 1.326 0.123 5 0 "[ . 1 . 2]"
1 17 CYS 0.746 0.123 5 0 "[ . 1 . 2]"
1 18 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 TRP 5.395 0.516 5 1 "[ + 1 . 2]"
1 20 PRO 6.278 0.516 5 1 "[ + 1 . 2]"
1 21 VAL 26.461 1.668 12 20 [********-**+********]
1 22 CYS 5.461 0.856 16 4 "[ .-* 1 .+* 2]"
1 23 THR 1.688 0.109 20 0 "[ . 1 . 2]"
1 24 ARG 12.007 1.496 10 9 "[ *** *+ * ** - 2]"
1 25 ASN 12.073 1.496 10 9 "[ *** *+ * ** - 2]"
1 26 GLY 6.485 0.296 11 0 "[ . 1 . 2]"
1 27 LEU 0.069 0.017 16 0 "[ . 1 . 2]"
1 28 PRO 0.252 0.022 6 0 "[ . 1 . 2]"
1 29 VAL 0.001 0.001 11 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 25 ASN H 1 25 ASN HA . . 2.500 2.167 2.166 2.168 . 0 0 "[ . 1 . 2]" 1
2 1 16 THR H 1 16 THR HB . . 3.810 3.567 3.493 3.616 . 0 0 "[ . 1 . 2]" 1
3 1 11 ASN H 1 11 ASN QB . . 3.080 2.262 2.154 2.389 . 0 0 "[ . 1 . 2]" 1
4 1 7 GLY H 1 7 GLY HA3 . . 2.730 2.287 2.282 2.297 . 0 0 "[ . 1 . 2]" 1
5 1 17 CYS H 1 17 CYS HB2 . . 2.910 2.698 2.601 2.814 . 0 0 "[ . 1 . 2]" 1
6 1 17 CYS H 1 17 CYS HB3 . . 2.890 2.376 2.281 2.443 . 0 0 "[ . 1 . 2]" 1
7 1 10 CYS H 1 10 CYS HB2 . . 2.960 2.574 2.450 2.634 . 0 0 "[ . 1 . 2]" 1
8 1 10 CYS H 1 10 CYS HB3 . . 4.040 3.719 3.645 3.755 . 0 0 "[ . 1 . 2]" 1
9 1 26 GLY H 1 26 GLY HA3 . . 2.610 2.893 2.866 2.906 0.296 11 0 "[ . 1 . 2]" 1
10 1 14 GLY H 1 14 GLY HA2 . . 2.680 2.263 2.260 2.271 . 0 0 "[ . 1 . 2]" 1
11 1 2 GLY H 1 2 GLY HA2 . . 2.640 2.317 2.282 2.389 . 0 0 "[ . 1 . 2]" 1
12 1 18 SER H 1 18 SER QB . . 3.550 2.310 2.204 2.671 . 0 0 "[ . 1 . 2]" 1
13 1 12 THR H 1 12 THR HB . . 3.120 2.318 2.262 2.377 . 0 0 "[ . 1 . 2]" 1
14 1 8 GLY H 1 8 GLY QA . . 2.790 2.328 2.322 2.369 . 0 0 "[ . 1 . 2]" 1
15 1 9 THR H 1 9 THR HB . . 3.530 3.179 2.895 3.634 0.104 17 0 "[ . 1 . 2]" 1
16 1 15 CYS H 1 15 CYS QB . . 2.760 2.315 2.295 2.332 . 0 0 "[ . 1 . 2]" 1
17 1 22 CYS H 1 22 CYS QB . . 3.060 2.312 2.241 2.362 . 0 0 "[ . 1 . 2]" 1
18 1 21 VAL H 1 21 VAL QG . . 3.240 2.137 1.841 2.383 . 0 0 "[ . 1 . 2]" 1
19 1 21 VAL H 1 21 VAL HB . . 3.520 2.776 2.451 3.634 0.114 9 0 "[ . 1 . 2]" 1
20 1 27 LEU H 1 27 LEU QB . . 2.910 2.836 2.725 2.861 . 0 0 "[ . 1 . 2]" 1
21 1 24 ARG HE 1 24 ARG QG . . 3.770 2.444 2.052 2.900 . 0 0 "[ . 1 . 2]" 1
22 1 16 THR H 1 16 THR MG . . 3.750 2.395 2.082 2.750 . 0 0 "[ . 1 . 2]" 1
23 1 12 THR H 1 12 THR MG . . 4.760 3.672 3.669 3.679 . 0 0 "[ . 1 . 2]" 1
24 1 27 LEU H 1 27 LEU HG . . 3.250 3.070 2.981 3.263 0.013 5 0 "[ . 1 . 2]" 1
25 1 6 VAL H 1 6 VAL HB . . 2.740 2.202 2.160 2.267 . 0 0 "[ . 1 . 2]" 1
26 1 9 THR HA 1 10 CYS H . . 2.450 2.435 2.350 2.471 0.021 14 0 "[ . 1 . 2]" 1
27 1 19 TRP H 1 19 TRP QB . . 2.640 2.033 2.023 2.051 . 0 0 "[ . 1 . 2]" 1
28 1 6 VAL H 1 6 VAL QG . . 2.960 2.388 2.278 2.471 . 0 0 "[ . 1 . 2]" 1
29 1 29 VAL H 1 29 VAL MG2 . . 2.870 2.313 2.083 2.505 . 0 0 "[ . 1 . 2]" 1
30 1 29 VAL H 1 29 VAL MG1 . . 3.350 2.980 2.822 3.152 . 0 0 "[ . 1 . 2]" 1
31 1 25 ASN QB 1 25 ASN QD . . 3.000 2.117 2.069 2.371 . 0 0 "[ . 1 . 2]" 1
32 1 4 THR H 1 4 THR MG . . 3.290 2.733 2.569 2.948 . 0 0 "[ . 1 . 2]" 1
33 1 23 THR H 1 23 THR MG . . 3.430 3.332 3.182 3.440 0.010 18 0 "[ . 1 . 2]" 1
34 1 27 LEU H 1 27 LEU QD . . 4.550 3.593 3.545 3.664 . 0 0 "[ . 1 . 2]" 1
35 1 19 TRP H 1 19 TRP HD1 . . 5.970 3.924 3.800 4.117 . 0 0 "[ . 1 . 2]" 1
36 1 19 TRP HA 1 19 TRP HD1 . . 3.830 3.256 3.197 3.330 . 0 0 "[ . 1 . 2]" 1
37 1 19 TRP QB 1 19 TRP HD1 . . 2.930 2.681 2.652 2.708 . 0 0 "[ . 1 . 2]" 1
38 1 19 TRP QB 1 19 TRP HE3 . . 3.100 2.478 2.441 2.524 . 0 0 "[ . 1 . 2]" 1
39 1 8 GLY H 1 19 TRP HE1 . . 4.890 3.697 3.432 4.075 . 0 0 "[ . 1 . 2]" 1
40 1 16 THR H 1 23 THR H . . 3.070 2.787 2.631 2.925 . 0 0 "[ . 1 . 2]" 1
41 1 18 SER H 1 23 THR H . . 4.750 3.368 3.238 3.511 . 0 0 "[ . 1 . 2]" 1
42 1 25 ASN H 1 26 GLY H . . 3.240 2.670 2.658 2.685 . 0 0 "[ . 1 . 2]" 1
43 1 6 VAL H 1 7 GLY H . . 3.320 2.646 2.642 2.650 . 0 0 "[ . 1 . 2]" 1
44 1 5 CYS H 1 6 VAL H . . 3.780 3.258 3.150 3.336 . 0 0 "[ . 1 . 2]" 1
45 1 11 ASN H 1 12 THR H . . 3.120 2.284 2.233 2.362 . 0 0 "[ . 1 . 2]" 1
46 1 2 GLY H 1 3 GLU H . . 3.400 2.665 2.311 2.898 . 0 0 "[ . 1 . 2]" 1
47 1 26 GLY H 1 27 LEU H . . 3.070 2.353 2.293 2.462 . 0 0 "[ . 1 . 2]" 1
48 1 14 GLY H 1 15 CYS H . . 3.220 2.519 2.480 2.550 . 0 0 "[ . 1 . 2]" 1
49 1 7 GLY H 1 8 GLY H . . 3.440 2.329 2.278 2.353 . 0 0 "[ . 1 . 2]" 1
50 1 8 GLY H 1 9 THR H . . 3.530 1.905 1.888 2.112 . 0 0 "[ . 1 . 2]" 1
51 1 8 GLY H 1 19 TRP HD1 . . 4.120 3.547 3.444 3.636 . 0 0 "[ . 1 . 2]" 1
52 1 6 VAL QG 1 19 TRP HE1 . . 4.230 3.266 2.865 3.452 . 0 0 "[ . 1 . 2]" 1
53 1 6 VAL HA 1 19 TRP HE1 . . 2.820 2.474 2.259 2.602 . 0 0 "[ . 1 . 2]" 1
54 1 15 CYS QB 1 23 THR H . . 5.020 3.268 3.177 3.403 . 0 0 "[ . 1 . 2]" 1
55 1 22 CYS QB 1 23 THR H . . 3.760 2.301 2.189 2.395 . 0 0 "[ . 1 . 2]" 1
56 1 17 CYS HA 1 23 THR H . . 4.390 4.193 4.054 4.341 . 0 0 "[ . 1 . 2]" 1
57 1 24 ARG HA 1 25 ASN H . . 2.520 2.227 2.225 2.229 . 0 0 "[ . 1 . 2]" 1
58 1 15 CYS HA 1 16 THR H . . 2.480 2.237 2.230 2.265 . 0 0 "[ . 1 . 2]" 1
59 1 16 THR H 1 22 CYS HA . . 5.580 5.005 4.900 5.156 . 0 0 "[ . 1 . 2]" 1
60 1 15 CYS QB 1 16 THR H . . 3.490 3.251 3.107 3.292 . 0 0 "[ . 1 . 2]" 1
61 1 24 ARG QB 1 25 ASN H . . 3.940 3.894 3.873 3.950 0.010 3 0 "[ . 1 . 2]" 1
62 1 24 ARG QG 1 25 ASN H . . 4.770 2.800 2.712 3.244 . 0 0 "[ . 1 . 2]" 1
63 1 10 CYS HB3 1 11 ASN H . . 4.020 2.963 2.638 3.028 . 0 0 "[ . 1 . 2]" 1
64 1 4 THR HB 1 6 VAL H . . 4.060 3.241 3.105 3.554 . 0 0 "[ . 1 . 2]" 1
65 1 10 CYS HA 1 11 ASN H . . 2.610 2.319 2.299 2.428 . 0 0 "[ . 1 . 2]" 1
66 1 5 CYS HA 1 6 VAL H . . 2.890 2.706 2.647 2.754 . 0 0 "[ . 1 . 2]" 1
67 1 5 CYS HA 1 7 GLY H . . 4.070 3.058 3.031 3.078 . 0 0 "[ . 1 . 2]" 1
68 1 6 VAL HB 1 7 GLY H . . 3.120 3.155 3.137 3.172 0.052 6 0 "[ . 1 . 2]" 1
69 1 6 VAL QG 1 7 GLY H . . 4.240 3.364 3.300 3.420 . 0 0 "[ . 1 . 2]" 1
70 1 16 THR MG 1 17 CYS H . . 3.990 3.927 3.643 4.113 0.123 5 0 "[ . 1 . 2]" 1
71 1 16 THR HB 1 17 CYS H . . 3.210 2.825 2.743 2.954 . 0 0 "[ . 1 . 2]" 1
72 1 16 THR HA 1 17 CYS H . . 2.580 2.341 2.287 2.381 . 0 0 "[ . 1 . 2]" 1
73 1 18 SER H 1 23 THR MG . . 4.310 3.631 3.336 3.786 . 0 0 "[ . 1 . 2]" 1
74 1 17 CYS HA 1 18 SER H . . 2.530 2.306 2.284 2.331 . 0 0 "[ . 1 . 2]" 1
75 1 18 SER H 1 22 CYS HA . . 3.350 2.004 1.973 2.036 . 0 0 "[ . 1 . 2]" 1
76 1 13 PRO HB3 1 14 GLY H . . 3.870 3.941 3.923 3.970 0.100 17 0 "[ . 1 . 2]" 1
77 1 9 THR MG 1 10 CYS H . . 3.780 2.636 1.944 3.799 0.019 18 0 "[ . 1 . 2]" 1
78 1 9 THR HB 1 10 CYS H . . 3.610 3.568 2.646 3.643 0.033 18 0 "[ . 1 . 2]" 1
79 1 13 PRO HA 1 14 GLY H . . 2.430 2.191 2.185 2.195 . 0 0 "[ . 1 . 2]" 1
80 1 23 THR HB 1 24 ARG H . . 2.690 2.590 2.477 2.713 0.023 18 0 "[ . 1 . 2]" 1
81 1 25 ASN HA 1 26 GLY H . . 3.030 3.070 3.007 3.091 0.061 11 0 "[ . 1 . 2]" 1
82 1 23 THR HA 1 24 ARG H . . 2.480 2.450 2.386 2.500 0.020 19 0 "[ . 1 . 2]" 1
83 1 19 TRP HA 1 21 VAL H . . 3.170 3.072 3.016 3.121 . 0 0 "[ . 1 . 2]" 1
84 1 20 PRO HA 1 21 VAL H . . 3.560 3.340 3.326 3.352 . 0 0 "[ . 1 . 2]" 1
85 1 1 CYS QB 1 2 GLY H . . 3.720 2.480 2.260 2.712 . 0 0 "[ . 1 . 2]" 1
86 1 20 PRO HD2 1 21 VAL H . . 3.660 2.489 2.462 2.520 . 0 0 "[ . 1 . 2]" 1
87 1 20 PRO QG 1 21 VAL H . . 5.090 3.437 3.400 3.481 . 0 0 "[ . 1 . 2]" 1
88 1 3 GLU HA 1 4 THR H . . 2.470 2.482 2.366 2.592 0.122 7 0 "[ . 1 . 2]" 1
89 1 3 GLU QG 1 4 THR H . . 3.000 2.257 1.899 3.817 0.817 19 1 "[ . 1 . +2]" 1
90 1 3 GLU QB 1 4 THR H . . 3.860 3.022 2.344 3.522 . 0 0 "[ . 1 . 2]" 1
91 1 4 THR HA 1 5 CYS H . . 2.400 2.201 2.152 2.259 . 0 0 "[ . 1 . 2]" 1
92 1 5 CYS H 1 21 VAL HA . . 3.340 2.668 2.554 2.836 . 0 0 "[ . 1 . 2]" 1
93 1 4 THR MG 1 5 CYS H . . 4.120 4.102 4.001 4.154 0.034 18 0 "[ . 1 . 2]" 1
94 1 11 ASN QB 1 12 THR H . . 3.710 2.472 2.187 2.641 . 0 0 "[ . 1 . 2]" 1
95 1 10 CYS HB3 1 12 THR H . . 3.690 3.335 3.110 3.646 . 0 0 "[ . 1 . 2]" 1
96 1 5 CYS HA 1 8 GLY H . . 5.150 3.206 3.127 3.255 . 0 0 "[ . 1 . 2]" 1
97 1 7 GLY HA2 1 8 GLY H . . 4.660 3.588 3.570 3.607 . 0 0 "[ . 1 . 2]" 1
98 1 7 GLY HA3 1 8 GLY H . . 4.080 3.033 3.006 3.070 . 0 0 "[ . 1 . 2]" 1
99 1 6 VAL HA 1 8 GLY H . . 5.180 4.245 4.192 4.319 . 0 0 "[ . 1 . 2]" 1
100 1 5 CYS QB 1 8 GLY H . . 3.670 2.724 2.581 2.817 . 0 0 "[ . 1 . 2]" 1
101 1 28 PRO HA 1 29 VAL H . . 2.690 2.324 2.283 2.385 . 0 0 "[ . 1 . 2]" 1
102 1 23 THR HA 1 29 VAL H . . 3.460 3.182 3.034 3.390 . 0 0 "[ . 1 . 2]" 1
103 1 5 CYS HA 1 9 THR H . . 5.040 3.124 2.903 3.723 . 0 0 "[ . 1 . 2]" 1
104 1 7 GLY HA3 1 9 THR H . . 5.830 3.808 3.542 3.894 . 0 0 "[ . 1 . 2]" 1
105 1 5 CYS QB 1 9 THR H . . 3.570 2.198 1.996 2.877 . 0 0 "[ . 1 . 2]" 1
106 1 18 SER QB 1 19 TRP H . . 5.220 4.080 3.973 4.135 . 0 0 "[ . 1 . 2]" 1
107 1 19 TRP H 1 20 PRO HA . . 4.830 4.388 4.383 4.392 . 0 0 "[ . 1 . 2]" 1
108 1 18 SER HA 1 19 TRP H . . 2.590 2.508 2.485 2.523 . 0 0 "[ . 1 . 2]" 1
109 1 14 GLY HA3 1 15 CYS H . . 3.420 3.467 3.419 3.487 0.067 13 0 "[ . 1 . 2]" 1
110 1 15 CYS H 1 24 ARG HA . . 5.280 5.301 5.273 5.319 0.039 12 0 "[ . 1 . 2]" 1
111 1 21 VAL QG 1 22 CYS H . . 3.480 2.076 1.793 3.086 . 0 0 "[ . 1 . 2]" 1
112 1 21 VAL HB 1 22 CYS H . . 4.030 3.355 2.137 3.909 . 0 0 "[ . 1 . 2]" 1
113 1 24 ARG QG 1 25 ASN QD . . 3.000 3.315 1.921 4.496 1.496 10 9 "[ *** *+ * ** - 2]" 1
114 1 1 CYS QB 1 22 CYS H . . 4.150 3.958 3.867 4.043 . 0 0 "[ . 1 . 2]" 1
115 1 21 VAL HA 1 22 CYS H . . 2.610 2.634 2.585 2.665 0.055 1 0 "[ . 1 . 2]" 1
116 1 4 THR HA 1 22 CYS H . . 3.110 2.671 2.301 3.123 0.013 19 0 "[ . 1 . 2]" 1
117 1 8 GLY QA 1 19 TRP HD1 . . 3.410 2.526 2.436 2.626 . 0 0 "[ . 1 . 2]" 1
118 1 19 TRP HE3 1 20 PRO HD3 . . 3.280 2.923 2.673 3.132 . 0 0 "[ . 1 . 2]" 1
119 1 6 VAL QG 1 19 TRP HZ2 . . 3.070 2.529 2.399 2.714 . 0 0 "[ . 1 . 2]" 1
120 1 1 CYS QB 1 3 GLU H . . 3.670 2.356 2.259 2.477 . 0 0 "[ . 1 . 2]" 1
121 1 3 GLU H 1 22 CYS QB . . 4.130 3.022 2.381 3.357 . 0 0 "[ . 1 . 2]" 1
122 1 3 GLU H 1 4 THR MG . . 4.690 4.621 4.466 4.738 0.048 18 0 "[ . 1 . 2]" 1
123 1 24 ARG HE 1 29 VAL MG2 . . 5.000 3.226 2.017 4.434 . 0 0 "[ . 1 . 2]" 1
124 1 22 CYS HA 1 23 THR H . . 2.510 2.573 2.535 2.619 0.109 20 0 "[ . 1 . 2]" 1
125 1 9 THR H 1 9 THR MG . . 3.920 3.373 2.024 4.005 0.085 9 0 "[ . 1 . 2]" 1
126 1 5 CYS QB 1 19 TRP HD1 . . 5.530 4.023 3.785 4.184 . 0 0 "[ . 1 . 2]" 1
127 1 23 THR HB 1 27 LEU H . . 3.170 3.087 2.968 3.187 0.017 16 0 "[ . 1 . 2]" 1
128 1 24 ARG H 1 29 VAL H . . 4.460 2.967 2.835 3.083 . 0 0 "[ . 1 . 2]" 1
129 1 17 CYS HA 1 17 CYS HB2 . . 2.660 2.411 2.356 2.449 . 0 0 "[ . 1 . 2]" 1
130 1 16 THR HA 1 16 THR MG . . 3.230 2.437 2.229 2.566 . 0 0 "[ . 1 . 2]" 1
131 1 16 THR HA 1 16 THR HB . . 2.690 2.521 2.414 2.639 . 0 0 "[ . 1 . 2]" 1
132 1 12 THR HA 1 12 THR MG . . 2.970 2.528 2.517 2.567 . 0 0 "[ . 1 . 2]" 1
133 1 9 THR HA 1 9 THR MG . . 3.120 2.547 2.096 3.216 0.096 5 0 "[ . 1 . 2]" 1
134 1 29 VAL HA 1 29 VAL HB . . 2.530 2.445 2.410 2.498 . 0 0 "[ . 1 . 2]" 1
135 1 24 ARG QB 1 24 ARG QD . . 2.520 2.086 1.958 2.191 . 0 0 "[ . 1 . 2]" 1
136 1 24 ARG HA 1 24 ARG QB . . 2.440 2.307 2.296 2.338 . 0 0 "[ . 1 . 2]" 1
137 1 6 VAL HA 1 6 VAL QG . . 2.900 2.045 2.025 2.073 . 0 0 "[ . 1 . 2]" 1
138 1 4 THR HA 1 4 THR MG . . 2.640 2.483 2.308 2.549 . 0 0 "[ . 1 . 2]" 1
139 1 21 VAL HA 1 21 VAL QG . . 3.180 2.085 2.002 2.391 . 0 0 "[ . 1 . 2]" 1
140 1 27 LEU HA 1 27 LEU QD . . 2.660 2.215 1.977 2.385 . 0 0 "[ . 1 . 2]" 1
141 1 19 TRP HA 1 20 PRO HA . . 2.400 1.895 1.877 1.909 . 0 0 "[ . 1 . 2]" 1
142 1 12 THR HA 1 13 PRO HD3 . . 2.440 1.955 1.954 1.956 . 0 0 "[ . 1 . 2]" 1
143 1 6 VAL QG 1 20 PRO HB3 . . 3.190 3.147 3.112 3.176 . 0 0 "[ . 1 . 2]" 1
144 1 4 THR MG 1 21 VAL HA . . 3.540 2.718 2.200 2.944 . 0 0 "[ . 1 . 2]" 1
145 1 4 THR HA 1 21 VAL HA . . 3.000 1.987 1.968 2.132 . 0 0 "[ . 1 . 2]" 1
146 1 4 THR HB 1 6 VAL QG . . 3.470 2.264 1.974 2.634 . 0 0 "[ . 1 . 2]" 1
147 1 10 CYS HB2 1 15 CYS QB . . 3.060 2.834 2.786 2.859 . 0 0 "[ . 1 . 2]" 1
148 1 27 LEU QB 1 28 PRO HD3 . . 3.770 3.662 3.631 3.719 . 0 0 "[ . 1 . 2]" 1
149 1 12 THR MG 1 13 PRO HD2 . . 3.060 1.797 1.789 1.830 . 0 0 "[ . 1 . 2]" 1
150 1 27 LEU QB 1 28 PRO HD2 . . 3.030 2.710 2.666 2.781 . 0 0 "[ . 1 . 2]" 1
151 1 18 SER QB 1 23 THR MG . . 3.220 1.792 1.667 1.879 . 0 0 "[ . 1 . 2]" 1
152 1 12 THR HB 1 15 CYS QB . . 3.270 2.622 2.545 2.699 . 0 0 "[ . 1 . 2]" 1
153 1 27 LEU QD 1 28 PRO HD3 . . 3.550 3.420 3.068 3.513 . 0 0 "[ . 1 . 2]" 1
154 1 2 GLY HA2 1 4 THR MG . . 5.130 4.878 4.732 5.017 . 0 0 "[ . 1 . 2]" 1
155 1 1 CYS QB 1 22 CYS QB . . 3.060 2.327 2.252 2.408 . 0 0 "[ . 1 . 2]" 1
156 1 19 TRP QB 1 20 PRO HA . . 3.940 3.080 3.032 3.136 . 0 0 "[ . 1 . 2]" 1
157 1 20 PRO HD3 1 21 VAL QG . . 6.000 4.386 3.796 4.886 . 0 0 "[ . 1 . 2]" 1
158 1 27 LEU QD 1 28 PRO HD2 . . 3.560 3.045 2.734 3.222 . 0 0 "[ . 1 . 2]" 1
159 1 24 ARG QD 1 29 VAL MG2 . . 4.470 2.568 2.103 3.801 . 0 0 "[ . 1 . 2]" 1
160 1 3 GLU QB 1 22 CYS QB . . 3.000 2.945 2.199 3.856 0.856 16 4 "[ .-* 1 .+* 2]" 1
161 1 12 THR MG 1 22 CYS QB . . 5.920 4.931 4.841 5.067 . 0 0 "[ . 1 . 2]" 1
162 1 20 PRO HD2 1 21 VAL QG . . 4.360 3.039 2.272 3.632 . 0 0 "[ . 1 . 2]" 1
163 1 25 ASN QB 1 27 LEU QD . . 6.000 2.989 2.748 3.267 . 0 0 "[ . 1 . 2]" 1
164 1 28 PRO HB2 1 29 VAL MG1 . . 4.660 4.338 4.113 4.634 . 0 0 "[ . 1 . 2]" 1
165 1 1 CYS QB 1 12 THR MG . . 4.310 3.166 2.966 3.384 . 0 0 "[ . 1 . 2]" 1
166 1 24 ARG QB 1 29 VAL MG2 . . 3.380 1.751 1.735 1.778 . 0 0 "[ . 1 . 2]" 1
167 1 18 SER HA 1 19 TRP HA . . 5.010 4.647 4.633 4.658 . 0 0 "[ . 1 . 2]" 1
168 1 4 THR HA 1 21 VAL QG . . 4.000 2.650 2.383 3.587 . 0 0 "[ . 1 . 2]" 1
169 1 17 CYS HB2 1 19 TRP QB . . 6.000 5.930 5.776 5.996 . 0 0 "[ . 1 . 2]" 1
170 1 12 THR MG 1 13 PRO HD3 . . 3.330 3.021 3.014 3.065 . 0 0 "[ . 1 . 2]" 1
171 1 23 THR MG 1 28 PRO HA . . 2.860 2.649 2.369 2.871 0.011 3 0 "[ . 1 . 2]" 1
172 1 17 CYS HA 1 22 CYS QB . . 5.410 4.243 4.147 4.385 . 0 0 "[ . 1 . 2]" 1
173 1 6 VAL QG 1 20 PRO HB2 . . 3.870 2.660 2.542 2.750 . 0 0 "[ . 1 . 2]" 1
174 1 24 ARG QG 1 29 VAL MG2 . . 3.880 2.474 2.280 2.691 . 0 0 "[ . 1 . 2]" 1
175 1 24 ARG QG 1 27 LEU QB . . 6.000 4.091 3.923 4.206 . 0 0 "[ . 1 . 2]" 1
176 1 28 PRO QG 1 29 VAL MG1 . . 6.000 3.982 3.771 4.199 . 0 0 "[ . 1 . 2]" 1
177 1 27 LEU QB 1 29 VAL MG1 . . 6.000 2.893 2.683 3.183 . 0 0 "[ . 1 . 2]" 1
178 1 10 CYS HB3 1 15 CYS QB . . 3.080 2.232 2.131 2.356 . 0 0 "[ . 1 . 2]" 1
179 1 20 PRO QG 1 21 VAL HB . . 6.000 4.331 3.675 5.552 . 0 0 "[ . 1 . 2]" 1
180 1 27 LEU QB 1 29 VAL MG2 . . 3.110 3.002 2.925 3.037 . 0 0 "[ . 1 . 2]" 1
181 1 27 LEU QD 1 28 PRO QG . . 6.000 4.419 4.137 4.526 . 0 0 "[ . 1 . 2]" 1
182 1 18 SER QB 1 21 VAL QG . . 6.000 3.199 2.575 4.830 . 0 0 "[ . 1 . 2]" 1
183 1 26 GLY HA2 1 27 LEU H . . 3.610 3.095 3.042 3.138 . 0 0 "[ . 1 . 2]" 1
184 1 27 LEU H 1 29 VAL MG2 . . 4.620 4.062 3.928 4.162 . 0 0 "[ . 1 . 2]" 1
185 1 24 ARG H 1 29 VAL MG2 . . 3.530 3.393 3.159 3.531 0.001 11 0 "[ . 1 . 2]" 1
186 1 25 ASN QB 1 29 VAL MG2 . . 4.860 4.175 4.014 4.347 . 0 0 "[ . 1 . 2]" 1
187 1 14 GLY HA2 1 15 CYS H . . 3.440 3.222 3.193 3.285 . 0 0 "[ . 1 . 2]" 1
188 1 6 VAL HA 1 19 TRP HZ2 . . 4.680 3.310 3.204 3.549 . 0 0 "[ . 1 . 2]" 1
189 1 19 TRP HZ3 1 20 PRO HD3 . . 4.560 4.148 3.716 4.466 . 0 0 "[ . 1 . 2]" 1
190 1 3 GLU HA 1 3 GLU QG . . 3.690 2.500 2.143 3.328 . 0 0 "[ . 1 . 2]" 1
191 1 27 LEU HA 1 27 LEU HG . . 3.600 3.041 2.984 3.100 . 0 0 "[ . 1 . 2]" 1
192 1 24 ARG HA 1 24 ARG QG . . 3.860 2.619 2.522 3.003 . 0 0 "[ . 1 . 2]" 1
193 1 24 ARG HA 1 24 ARG QD . . 4.300 3.562 2.423 3.836 . 0 0 "[ . 1 . 2]" 1
194 1 29 VAL HA 1 29 VAL MG2 . . 3.540 3.216 3.210 3.220 . 0 0 "[ . 1 . 2]" 1
195 1 29 VAL HA 1 29 VAL MG1 . . 3.220 2.359 2.260 2.424 . 0 0 "[ . 1 . 2]" 1
196 1 23 THR HA 1 23 THR MG . . 2.990 2.332 2.252 2.394 . 0 0 "[ . 1 . 2]" 1
197 1 23 THR HA 1 23 THR HB . . 2.760 2.666 2.604 2.699 . 0 0 "[ . 1 . 2]" 1
198 1 27 LEU HA 1 28 PRO HD2 . . 2.910 2.268 2.246 2.297 . 0 0 "[ . 1 . 2]" 1
199 1 12 THR HA 1 13 PRO HD2 . . 2.920 2.410 2.406 2.416 . 0 0 "[ . 1 . 2]" 1
200 1 15 CYS HA 1 24 ARG QB . . 3.660 3.370 3.096 3.714 0.054 15 0 "[ . 1 . 2]" 1
201 1 10 CYS HB2 1 15 CYS HA . . 4.740 4.781 4.740 4.797 0.057 6 0 "[ . 1 . 2]" 1
202 1 15 CYS HA 1 24 ARG HA . . 3.460 2.687 2.627 2.767 . 0 0 "[ . 1 . 2]" 1
203 1 28 PRO HA 1 29 VAL MG1 . . 5.180 3.945 3.803 4.097 . 0 0 "[ . 1 . 2]" 1
204 1 23 THR HB 1 28 PRO HA . . 3.950 3.957 3.911 3.972 0.022 6 0 "[ . 1 . 2]" 1
205 1 10 CYS HB2 1 16 THR HA . . 3.780 3.733 3.668 3.804 0.024 17 0 "[ . 1 . 2]" 1
206 1 6 VAL HA 1 20 PRO HB2 . . 4.230 4.072 3.997 4.165 . 0 0 "[ . 1 . 2]" 1
207 1 5 CYS QB 1 17 CYS HA . . 4.000 2.480 2.291 2.657 . 0 0 "[ . 1 . 2]" 1
208 1 1 CYS QB 1 12 THR HB . . 4.010 3.125 2.795 3.462 . 0 0 "[ . 1 . 2]" 1
209 1 27 LEU HA 1 28 PRO HD3 . . 2.670 1.975 1.970 1.980 . 0 0 "[ . 1 . 2]" 1
210 1 19 TRP HD1 1 20 PRO HA . . 4.050 3.739 3.632 3.783 . 0 0 "[ . 1 . 2]" 1
211 1 6 VAL HA 1 19 TRP HD1 . . 3.900 3.783 3.463 3.915 0.015 5 0 "[ . 1 . 2]" 1
212 1 21 VAL QG 1 22 CYS HA . . 4.630 3.744 3.451 4.209 . 0 0 "[ . 1 . 2]" 1
213 1 19 TRP HZ3 1 20 PRO HD2 . . 5.970 5.548 5.200 5.825 . 0 0 "[ . 1 . 2]" 1
214 1 19 TRP HZ3 1 20 PRO QG . . 3.000 3.267 3.014 3.516 0.516 5 1 "[ + 1 . 2]" 1
215 1 5 CYS QB 1 22 CYS HA . . 4.460 3.484 3.345 3.684 . 0 0 "[ . 1 . 2]" 1
216 1 19 TRP HA 1 20 PRO HB2 . . 4.820 4.330 4.319 4.338 . 0 0 "[ . 1 . 2]" 1
217 1 1 CYS HA 1 24 ARG QD . . 4.470 4.135 3.817 4.494 0.024 15 0 "[ . 1 . 2]" 1
218 1 23 THR HA 1 28 PRO HB3 . . 4.020 3.781 3.392 4.039 0.019 15 0 "[ . 1 . 2]" 1
219 1 10 CYS HB3 1 16 THR HA . . 5.030 5.068 5.046 5.126 0.096 19 0 "[ . 1 . 2]" 1
220 1 12 THR HA 1 13 PRO HG2 . . 4.940 4.456 4.453 4.460 . 0 0 "[ . 1 . 2]" 1
221 1 12 THR HA 1 13 PRO HG3 . . 4.560 4.230 4.228 4.232 . 0 0 "[ . 1 . 2]" 1
222 1 15 CYS HA 1 16 THR MG . . 5.150 3.519 3.284 3.913 . 0 0 "[ . 1 . 2]" 1
223 1 14 GLY HA3 1 24 ARG QD . . 4.150 4.058 3.468 4.174 0.024 16 0 "[ . 1 . 2]" 1
224 1 10 CYS HB2 1 12 THR HB . . 5.080 5.073 4.932 5.150 0.070 19 0 "[ . 1 . 2]" 1
225 1 1 CYS QB 1 3 GLU QB . . 3.000 3.041 2.856 3.633 0.633 17 1 "[ . 1 . + 2]" 1
226 1 20 PRO HA 1 21 VAL HA . . 5.300 4.516 4.506 4.526 . 0 0 "[ . 1 . 2]" 1
227 1 4 THR HA 1 21 VAL HB . . 3.000 4.288 3.548 4.668 1.668 12 20 [********-**+********] 1
228 1 12 THR MG 1 13 PRO HA . . 4.990 4.081 4.036 4.098 . 0 0 "[ . 1 . 2]" 1
229 1 1 CYS HA 1 12 THR MG . . 4.180 3.079 2.789 3.359 . 0 0 "[ . 1 . 2]" 1
230 1 17 CYS HA 1 22 CYS HA . . 2.920 2.920 2.843 2.955 0.035 16 0 "[ . 1 . 2]" 1
231 1 15 CYS HA 1 24 ARG QD . . 5.270 4.199 3.302 4.516 . 0 0 "[ . 1 . 2]" 1
232 1 5 CYS QB 1 10 CYS HA . . 3.000 3.221 3.071 3.349 0.349 19 0 "[ . 1 . 2]" 1
233 1 15 CYS HA 1 16 THR HA . . 5.290 4.405 4.402 4.407 . 0 0 "[ . 1 . 2]" 1
234 1 14 GLY HA3 1 15 CYS HA . . 5.580 4.476 4.461 4.483 . 0 0 "[ . 1 . 2]" 1
235 1 19 TRP HA 1 20 PRO HB3 . . 4.820 4.173 4.156 4.186 . 0 0 "[ . 1 . 2]" 1
236 1 6 VAL HA 1 20 PRO HB3 . . 3.930 3.976 3.962 3.991 0.061 12 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 35
_Distance_constraint_stats_list.Viol_count 656
_Distance_constraint_stats_list.Viol_total 14761.863
_Distance_constraint_stats_list.Viol_max 4.172
_Distance_constraint_stats_list.Viol_rms 0.8715
_Distance_constraint_stats_list.Viol_average_all_restraints 1.0544
_Distance_constraint_stats_list.Viol_average_violations_only 1.1251
_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 CYS 115.905 4.172 4 20 [***+***-************]
1 3 GLU 84.522 4.038 16 20 [******-********+****]
1 4 THR 13.131 0.884 12 16 "[**-** ****+*** ***]"
1 5 CYS 34.803 1.029 6 20 [*****+**********-***]
1 6 VAL 12.257 0.670 16 20 [-**************+****]
1 8 GLY 27.085 1.518 5 20 [****+*****-*********]
1 11 ASN 184.230 4.038 16 20 [********-******+****]
1 12 THR 215.953 3.767 18 20 [*****************+*-]
1 15 CYS 56.447 1.602 3 20 [**+****************-]
1 16 THR 15.719 1.346 18 16 "[* **.*** 1-******+**]"
1 18 SER 118.715 3.095 17 20 [***********-****+***]
1 19 TRP 64.853 1.518 5 20 [****+**********-****]
1 20 PRO 20.698 0.670 16 20 [-**************+****]
1 21 VAL 52.518 3.095 17 20 [***************-+***]
1 22 CYS 59.596 2.523 11 20 [**-*******+*********]
1 23 THR 21.502 0.910 11 14 "[ **.**-*1+****** *]"
1 24 ARG 218.002 4.172 4 20 [**-+****************]
1 25 ASN 49.116 1.952 3 20 [**+*****-***********]
1 26 GLY 15.719 1.346 18 16 "[* **.*** 1-******+**]"
1 27 LEU 35.962 1.952 3 19 [**+*****-*****.*****]
1 28 PRO 3.602 0.276 10 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 GLY QA 1 19 TRP QB . . 3.000 4.354 4.110 4.518 1.518 5 20 [****+*****-*********] 2
2 1 11 ASN H 1 11 ASN QD . . 3.000 4.301 3.310 4.634 1.634 15 19 "[********-*** *+*****]" 2
3 1 3 GLU QG 1 11 ASN H . . 3.000 3.818 3.187 4.491 1.491 19 17 "[******-**** ***** +2]" 2
4 1 11 ASN HA 1 11 ASN QD . . 3.000 3.830 2.930 4.186 1.186 10 17 "[-** *****+* *** ****]" 2
5 1 11 ASN QD 1 12 THR HA . . 3.000 5.374 2.928 6.079 3.079 6 19 "[*****+****-******* *]" 2
6 1 11 ASN QD 1 12 THR H . . 3.000 4.616 2.743 5.207 2.207 1 19 "[+*********-******* *]" 2
7 1 3 GLU QG 1 11 ASN QD . . 3.000 5.252 3.615 7.038 4.038 16 20 [************-**+****] 2
8 1 12 THR H 1 15 CYS QB . . 3.000 3.530 3.373 3.688 0.688 19 15 "[ **** ******** *+-]" 2
9 1 3 GLU QG 1 12 THR H . . 3.000 4.156 3.747 4.463 1.463 14 20 [*************+-*****] 2
10 1 12 THR MG 1 15 CYS H . . 3.000 3.963 3.838 4.031 1.031 8 20 [*******+*-**********] 2
11 1 12 THR MG 1 24 ARG QD . . 3.000 3.970 3.788 4.199 1.199 10 20 [*****-***+**********] 2
12 1 12 THR MG 1 24 ARG HE . . 3.000 6.172 5.394 6.767 3.767 18 20 [*****************+-*] 2
13 1 15 CYS QB 1 24 ARG QB . . 3.000 4.329 4.064 4.602 1.602 3 20 [**+***-*************] 2
14 1 16 THR MG 1 26 GLY H . . 3.000 3.786 3.192 4.346 1.346 18 16 "[* **.*** 1-******+**]" 2
15 1 18 SER H 1 19 TRP H . . 3.000 3.626 3.567 3.661 0.661 15 20 [**************+-****] 2
16 1 5 CYS QB 1 18 SER H . . 3.000 3.900 3.750 4.029 1.029 6 20 [*****+**********-***] 2
17 1 18 SER QB 1 22 CYS H . . 3.000 4.612 4.462 5.523 2.523 11 20 [**********+*******-*] 2
18 1 18 SER QB 1 23 THR H . . 3.000 3.528 3.272 3.910 0.910 11 11 "[ **. * 1+-***** *]" 2
19 1 18 SER QB 1 21 VAL HB . . 3.000 5.092 3.903 6.095 3.095 17 20 [***************-+***] 2
20 1 18 SER QB 1 22 CYS HA . . 3.000 3.175 2.962 3.866 0.866 17 2 "[ . 1- . + 2]" 2
21 1 5 CYS H 1 19 TRP HA . . 3.000 3.840 3.653 3.915 0.915 18 20 [****************-+**] 2
22 1 19 TRP HE3 1 20 PRO HA . . 3.000 3.009 2.969 3.114 0.114 11 0 "[ . 1 . 2]" 2
23 1 19 TRP HE3 1 20 PRO QG . . 3.000 3.405 3.339 3.480 0.480 5 0 "[ . 1 . 2]" 2
24 1 6 VAL QG 1 20 PRO HA . . 3.000 3.613 3.539 3.670 0.670 16 20 [-**************+****] 2
25 1 21 VAL QG 1 22 CYS QB . . 3.000 3.534 3.229 4.450 1.450 18 4 "[ * . -1 . +*2]" 2
26 1 4 THR MG 1 22 CYS H . . 3.000 3.657 3.235 3.884 0.884 12 16 "[**-** ****+*** ***]" 2
27 1 1 CYS QB 1 23 THR HA . . 3.000 3.547 3.324 3.897 0.897 16 9 "[ .**-*1 * *.+* *]" 2
28 1 24 ARG H 1 28 PRO HA . . 3.000 3.180 3.078 3.276 0.276 10 0 "[ . 1 . 2]" 2
29 1 1 CYS HA 1 24 ARG QB . . 3.000 3.745 3.298 3.982 0.982 16 19 [**-***********.+****] 2
30 1 1 CYS QB 1 24 ARG QB . . 3.000 3.954 3.814 4.075 1.075 7 20 [******+***-*********] 2
31 1 24 ARG QG 1 25 ASN QB . . 3.000 2.604 2.476 2.734 . 0 0 "[ . 1 . 2]" 2
32 1 1 CYS HA 1 24 ARG HE . . 3.000 6.550 5.473 7.172 4.172 4 20 [***+******-*********] 2
33 1 25 ASN HA 1 25 ASN QD . . 3.000 3.633 2.894 4.069 1.069 15 14 "[** ** * *** *+ *-**]" 2
34 1 25 ASN QB 1 27 LEU QB . . 3.000 3.572 3.406 3.754 0.754 3 16 "[**+*. **-*****.** **]" 2
35 1 25 ASN QD 1 27 LEU QD . . 3.000 4.221 2.907 4.952 1.952 3 18 [*-+******1****.*****] 2
stop_
save_
Contact the webmaster for help, if required. Friday, May 17, 2024 11:15:08 PM GMT (wattos1)