NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
383412 |
1k0p   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1k0p
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 157
_Distance_constraint_stats_list.Viol_count 1979
_Distance_constraint_stats_list.Viol_total 33453.078
_Distance_constraint_stats_list.Viol_max 10.632
_Distance_constraint_stats_list.Viol_rms 1.4753
_Distance_constraint_stats_list.Viol_average_all_restraints 0.9470
_Distance_constraint_stats_list.Viol_average_violations_only 1.1269
_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 ILE 85.438 4.153 10 15 [*********+**-**]
1 2 CYS 84.878 4.095 8 15 [*******+***-***]
1 3 GLU 61.736 2.209 12 15 [*-*********+***]
1 4 GLU 77.271 2.203 8 15 [*-*****+*******]
1 5 PRO 108.842 4.048 11 15 [******-***+****]
1 6 THR 258.508 4.095 8 15 [******-+*******]
1 7 CYS 212.194 10.011 5 15 [****+****-*****]
1 8 ARG 203.675 4.048 11 15 [**-*******+****]
1 9 ASN 29.870 0.732 10 15 [**-******+*****]
1 10 ARG 73.247 2.101 7 15 [******+*****-**]
1 11 THR 154.590 10.632 8 15 [******-+*******]
1 12 ARG 121.627 3.500 8 15 [***-***+*******]
1 13 HIS 39.905 1.994 7 15 [***-**+********]
1 14 LEU 177.563 2.689 7 15 [*-****+********]
1 15 PRO 154.573 6.424 14 15 [*************+*]
1 16 LEU 130.604 2.689 7 15 [**-***+********]
1 17 GLN 52.934 1.184 15 15 [**-***********+]
1 18 PHE 234.695 5.563 13 15 [**-*********+**]
1 19 SER 108.947 6.424 14 15 [********-****+*]
1 20 ARG 149.946 3.853 9 15 [********+****-*]
1 21 THR 107.192 3.312 7 15 [******+*****-**]
1 22 GLY 147.849 4.618 11 15 [******-***+****]
1 23 PRO 97.036 3.812 15 15 [*************-+]
1 24 LEU 359.363 7.083 2 15 [*+***********-*]
1 25 CYS 121.744 3.190 7 15 [******+***-****]
1 26 PRO 34.864 2.364 7 15 [******+********]
1 27 ALA 146.675 4.201 5 15 [****+****-*****]
1 28 CYS 207.254 4.618 11 15 [**********+**-*]
1 29 MET 419.547 10.632 8 15 [******-+*******]
1 30 LYS 7.192 1.858 3 5 "[ + .* - 1 * *.]"
1 31 ALA 6.640 1.858 3 5 "[ + .* - 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 ILE HA 1 1 ILE HB . 2.368 2.592 2.750 2.719 2.784 0.192 6 0 "[ . 1 .]" 1
2 1 1 ILE HA 1 1 ILE MD . 3.735 4.074 3.691 3.620 3.784 0.115 4 0 "[ . 1 .]" 1
3 1 1 ILE HA 1 1 ILE MG . 3.419 3.729 2.650 2.337 2.864 1.082 2 15 [*+**********-**] 1
4 1 1 ILE MG 1 6 THR HA . 5.174 5.833 7.707 5.365 9.687 3.854 2 12 "[*+*******1-* *.]" 1
5 1 1 ILE MG 1 29 MET QG . 4.422 4.750 7.557 5.789 8.903 4.153 10 15 [*-*******+*****] 1
6 1 2 CYS HA 1 4 GLU H . 3.945 4.796 6.014 4.567 6.999 2.203 8 11 "[****.**+** -*.]" 1
7 1 2 CYS HA 1 6 THR H . 2.651 2.900 5.872 4.761 6.995 4.095 8 15 [*******+******-] 1
8 1 2 CYS HA 1 6 THR MG . 4.814 5.534 3.420 2.642 4.183 2.172 5 15 [****+******-***] 1
9 1 2 CYS SG 1 7 CYS SG . 3.820 3.840 3.824 3.803 3.977 0.137 10 0 "[ . 1 .]" 1
10 1 2 CYS SG 1 25 CYS SG . 3.820 3.840 3.876 3.837 3.937 0.097 10 0 "[ . 1 .]" 1
11 1 2 CYS SG 1 28 CYS SG . 3.820 3.840 3.823 3.790 3.851 0.030 10 0 "[ . 1 .]" 1
12 1 3 GLU H 1 3 GLU HA . 2.613 2.855 2.719 2.378 3.049 0.235 3 0 "[ . 1 .]" 1
13 1 3 GLU H 1 6 THR MG . 4.733 5.979 4.746 3.177 6.436 1.556 5 6 "[* + * -1 **.]" 1
14 1 3 GLU HA 1 4 GLU H . 3.155 3.507 2.229 2.043 2.442 1.112 10 15 [******-**+*****] 1
15 1 3 GLU HA 1 4 GLU QB . 2.967 3.184 4.163 3.549 4.890 1.706 12 14 "[*-****** **+***]" 1
16 1 3 GLU HA 1 6 THR MG . 4.039 4.544 6.049 5.672 6.753 2.209 12 15 [******-****+***] 1
17 1 4 GLU H 1 4 GLU HA . 2.750 3.012 2.821 2.373 2.958 0.377 5 0 "[ . 1 .]" 1
18 1 4 GLU HA 1 4 GLU QB . 2.284 2.497 2.299 2.180 2.595 0.104 12 0 "[ . 1 .]" 1
19 1 4 GLU HA 1 6 THR H . 2.758 3.020 2.709 2.688 2.738 0.070 13 0 "[ . 1 .]" 1
20 1 4 GLU HA 1 6 THR MG . 3.657 3.959 5.703 5.282 6.033 2.074 12 15 [****-******+***] 1
21 1 4 GLU QB 1 6 THR H . 3.683 4.164 4.253 4.109 4.355 0.191 9 0 "[ . 1 .]" 1
22 1 5 PRO HA 1 5 PRO QB . 2.260 2.470 2.306 2.275 2.375 . 0 0 "[ . 1 .]" 1
23 1 5 PRO HA 1 5 PRO QG . 3.639 3.997 3.416 2.878 3.624 0.761 8 4 "[ - *+ 1 * .]" 1
24 1 5 PRO HA 1 6 THR MG . 4.437 5.180 5.885 5.518 6.034 0.854 1 13 "[+*****- *** ***]" 1
25 1 5 PRO HA 1 8 ARG H . 4.642 5.045 3.467 3.444 3.509 1.198 7 15 [*-****+********] 1
26 1 5 PRO QB 1 8 ARG HA . 2.919 3.144 6.955 6.689 7.192 4.048 11 15 [-*********+****] 1
27 1 5 PRO QB 1 8 ARG QB . 2.901 3.120 4.462 4.109 5.149 2.029 7 15 [******+*-******] 1
28 1 6 THR H 1 6 THR MG . 3.240 3.492 4.129 3.983 4.205 0.713 7 14 [**-*.*+********] 1
29 1 6 THR HA 1 6 THR MG . 3.188 3.465 2.223 2.108 2.611 1.080 3 15 [**+*-**********] 1
30 1 6 THR HA 1 7 CYS H . 2.429 2.660 3.632 3.557 3.702 1.042 1 15 [+********-*****] 1
31 1 6 THR HA 1 7 CYS QB . 2.336 2.560 5.510 4.946 5.763 3.203 15 15 [*********-****+] 1
32 1 6 THR HA 1 10 ARG H . 3.238 3.643 4.467 4.340 4.609 0.966 2 15 [*+**********-**] 1
33 1 7 CYS H 1 7 CYS HA . 2.146 2.360 2.397 2.383 2.420 0.060 10 0 "[ . 1 .]" 1
34 1 7 CYS HA 1 7 CYS QB . 2.510 2.752 2.340 2.119 2.454 0.391 10 0 "[ . 1 .]" 1
35 1 7 CYS HA 1 8 ARG H . 2.688 2.960 2.868 2.845 2.896 . 0 0 "[ . 1 .]" 1
36 1 7 CYS HA 1 9 ASN H . 3.469 4.062 4.055 3.937 4.133 0.071 14 0 "[ . 1 .]" 1
37 1 7 CYS HA 1 10 ARG H . 3.398 3.811 2.259 2.207 2.287 1.191 10 15 [*******-*+*****] 1
38 1 7 CYS HA 1 11 THR H . 3.350 3.844 3.532 3.474 3.597 . 0 0 "[ . 1 .]" 1
39 1 7 CYS HA 1 29 MET ME . 2.962 3.212 11.999 10.151 13.223 10.011 5 15 [****+*-********] 1
40 1 7 CYS SG 1 25 CYS SG . 3.820 3.840 3.858 3.791 4.085 0.245 11 0 "[ . 1 .]" 1
41 1 7 CYS SG 1 28 CYS SG . 3.820 3.840 3.817 3.784 3.872 0.036 2 0 "[ . 1 .]" 1
42 1 8 ARG H 1 8 ARG QB . 3.410 3.731 2.648 2.512 2.784 0.898 9 15 [********+-*****] 1
43 1 8 ARG H 1 9 ASN H . 2.865 3.157 2.261 2.133 2.464 0.732 10 13 "[* -******+*** *]" 1
44 1 8 ARG HA 1 8 ARG QB . 2.514 2.518 2.129 2.074 2.215 0.440 7 0 "[ . 1 .]" 1
45 1 8 ARG HA 1 9 ASN H . 2.516 2.753 3.328 3.288 3.392 0.639 2 15 [*+**********-**] 1
46 1 8 ARG HA 1 12 ARG H . 3.416 3.840 3.682 3.564 3.913 0.073 14 0 "[ . 1 .]" 1
47 1 8 ARG QD 1 12 ARG QB . 2.945 3.184 6.031 5.515 6.653 3.469 8 15 [*******+**-****] 1
48 1 8 ARG QG 1 12 ARG QB . 2.296 2.518 4.590 3.753 6.018 3.500 8 15 [*******+**-****] 1
49 1 9 ASN H 1 9 ASN HA . 2.379 2.603 2.959 2.948 2.974 0.371 3 0 "[ . 1 .]" 1
50 1 9 ASN HA 1 10 ARG H . 2.938 3.247 3.578 3.509 3.732 0.485 14 0 "[ . 1 .]" 1
51 1 9 ASN HA 1 12 ARG H . 3.336 3.768 3.862 3.656 4.010 0.242 13 0 "[ . 1 .]" 1
52 1 10 ARG HA 1 10 ARG QB . 2.616 2.864 2.179 2.130 2.225 0.486 15 0 "[ . 1 .]" 1
53 1 10 ARG HA 1 11 THR H . 2.777 3.050 2.638 2.593 2.730 0.184 3 0 "[ . 1 .]" 1
54 1 10 ARG HA 1 14 LEU QD . 3.267 3.513 5.526 5.434 5.614 2.101 7 15 [******+******-*] 1
55 1 11 THR H 1 11 THR HA . 2.687 2.964 2.716 2.685 2.761 0.002 3 0 "[ . 1 .]" 1
56 1 11 THR H 1 11 THR MG . 4.304 5.240 3.546 3.258 3.627 1.046 14 15 [******-******+*] 1
57 1 11 THR HA 1 11 THR MG . 3.099 3.362 2.702 2.634 2.940 0.465 12 0 "[ . 1 .]" 1
58 1 11 THR HA 1 14 LEU H . 3.253 3.678 3.246 3.122 3.314 0.131 7 0 "[ . 1 .]" 1
59 1 11 THR HA 1 29 MET ME . 3.318 3.588 12.559 10.701 14.220 10.632 8 15 [******-+*******] 1
60 1 11 THR MG 1 14 LEU H . 4.452 5.337 4.447 4.274 4.507 0.178 14 0 "[ . 1 .]" 1
61 1 11 THR MG 1 14 LEU HA . 4.855 6.537 5.440 5.393 5.527 . 0 0 "[ . 1 .]" 1
62 1 12 ARG H 1 12 ARG HA . 2.356 2.579 2.804 2.774 2.827 0.248 2 0 "[ . 1 .]" 1
63 1 12 ARG H 1 12 ARG QB . 3.576 3.959 1.626 1.601 1.662 1.975 14 15 [****-********+*] 1
64 1 12 ARG HA 1 13 HIS H . 2.557 2.808 3.383 3.307 3.432 0.624 14 14 "[***-******** +*]" 1
65 1 12 ARG QD 1 12 ARG HG2 . 2.645 2.874 2.461 2.206 2.508 0.439 4 0 "[ . 1 .]" 1
66 1 12 ARG QD 1 12 ARG HG3 . 2.480 2.706 2.340 2.283 2.571 0.197 7 0 "[ . 1 .]" 1
67 1 13 HIS H 1 13 HIS HA . 2.831 3.122 2.849 2.700 2.892 0.131 14 0 "[ . 1 .]" 1
68 1 13 HIS HA 1 14 LEU H . 3.614 4.169 2.706 2.694 2.718 0.920 7 15 [*-****+********] 1
69 1 13 HIS HA 1 15 PRO QD . 2.961 3.269 4.431 4.280 5.263 1.994 7 15 [******+***-****] 1
70 1 14 LEU H 1 14 LEU HA . 2.211 2.424 2.693 2.674 2.719 0.295 11 0 "[ . 1 .]" 1
71 1 14 LEU H 1 14 LEU QB . 3.526 3.921 2.534 2.491 2.605 1.035 14 15 [******-******+*] 1
72 1 14 LEU H 1 16 LEU HG . 3.631 4.312 6.842 6.707 7.001 2.689 7 15 [-*****+********] 1
73 1 14 LEU HA 1 16 LEU QB . 3.966 4.374 3.969 3.872 4.034 0.094 7 0 "[ . 1 .]" 1
74 1 14 LEU HA 1 17 GLN H . 3.347 3.740 4.831 4.677 4.924 1.184 15 15 [********-*****+] 1
75 1 14 LEU QB 1 16 LEU H . 2.593 2.821 4.303 4.267 4.334 1.513 3 15 [**+***-********] 1
76 1 14 LEU QB 1 16 LEU HA . 3.768 4.203 6.705 6.666 6.733 2.530 6 15 [*****+**-******] 1
77 1 15 PRO HA 1 15 PRO QG . 3.275 3.600 2.623 2.576 3.098 0.699 15 14 "[****** ******-+]" 1
78 1 15 PRO HA 1 16 LEU H . 2.530 2.774 2.904 2.887 2.986 0.212 7 0 "[ . 1 .]" 1
79 1 15 PRO HA 1 17 GLN H . 2.868 3.151 2.852 2.843 2.877 0.025 3 0 "[ . 1 .]" 1
80 1 15 PRO HA 1 18 PHE H . 3.219 3.666 6.290 6.169 6.368 2.702 14 15 [*****-*******+*] 1
81 1 15 PRO QB 1 16 LEU H . 2.980 3.249 3.012 2.836 3.051 0.144 7 0 "[ . 1 .]" 1
82 1 15 PRO QB 1 19 SER HG . 3.499 3.813 9.456 8.538 10.237 6.424 14 15 [*-***********+*] 1
83 1 15 PRO QD 1 17 GLN QB . 4.311 5.760 4.401 3.296 4.677 1.015 7 1 "[ . + 1 .]" 1
84 1 16 LEU H 1 16 LEU HA . 2.414 2.645 2.799 2.788 2.824 0.179 5 0 "[ . 1 .]" 1
85 1 16 LEU H 1 16 LEU QB . 2.697 2.931 2.579 2.506 2.628 0.191 4 0 "[ . 1 .]" 1
86 1 16 LEU HA 1 16 LEU MD1 . 2.938 3.167 3.410 2.761 3.776 0.609 1 2 "[+ - . 1 .]" 1
87 1 16 LEU HA 1 16 LEU MD2 . 3.421 3.714 3.385 2.928 3.897 0.493 1 0 "[ . 1 .]" 1
88 1 16 LEU HA 1 17 GLN H . 3.012 3.334 2.359 2.353 2.370 0.659 10 15 [******-**+*****] 1
89 1 16 LEU QB 1 17 GLN HA . 3.541 3.953 4.616 4.561 4.785 0.832 9 15 [******-*+******] 1
90 1 17 GLN H 1 17 GLN HA . 2.390 2.620 3.033 3.030 3.037 0.417 9 0 "[ . 1 .]" 1
91 1 17 GLN H 1 17 GLN QB . 3.163 3.432 2.718 2.530 2.893 0.633 5 6 "[* -*+* * .]" 1
92 1 17 GLN HA 1 18 PHE H . 2.001 2.234 2.139 2.100 2.187 . 0 0 "[ . 1 .]" 1
93 1 17 GLN HA 1 19 SER H . 2.229 2.446 2.050 2.043 2.055 0.186 12 0 "[ . 1 .]" 1
94 1 18 PHE H 1 18 PHE HA . 2.565 2.864 2.978 2.977 2.980 0.116 12 0 "[ . 1 .]" 1
95 1 18 PHE H 1 20 ARG H . 2.365 2.620 6.447 6.412 6.473 3.853 9 15 [********+****-*] 1
96 1 18 PHE H 1 24 LEU H . 2.401 2.788 7.818 7.465 8.351 5.563 13 15 [*-**********+**] 1
97 1 18 PHE HA 1 19 SER H . 2.734 2.997 3.352 3.339 3.365 0.368 11 0 "[ . 1 .]" 1
98 1 18 PHE QB 1 18 PHE QE . 4.283 4.994 3.788 3.711 3.870 0.572 7 7 "[ *- . + ** **]" 1
99 1 18 PHE QB 1 21 THR MG . 4.904 5.349 8.551 8.496 8.661 3.312 7 15 [******+*****-**] 1
100 1 19 SER H 1 19 SER HA . 2.942 3.276 3.055 3.052 3.057 . 0 0 "[ . 1 .]" 1
101 1 19 SER H 1 19 SER QB . 2.885 3.117 3.062 3.036 3.090 . 0 0 "[ . 1 .]" 1
102 1 19 SER HA 1 20 ARG H . 2.975 3.244 2.034 2.019 2.053 0.956 7 15 [******+*-******] 1
103 1 19 SER HA 1 21 THR MG . 4.943 5.899 6.044 5.968 6.397 0.498 14 0 "[ . 1 .]" 1
104 1 19 SER QB 1 20 ARG H . 3.153 3.455 3.206 3.191 3.223 . 0 0 "[ . 1 .]" 1
105 1 20 ARG HA 1 20 ARG QB . 2.450 2.685 2.507 2.390 2.554 0.060 15 0 "[ . 1 .]" 1
106 1 20 ARG HA 1 21 THR H . 2.334 2.560 2.144 2.139 2.147 0.195 13 0 "[ . 1 .]" 1
107 1 20 ARG HA 1 21 THR MG . 4.624 5.336 3.433 3.373 3.760 1.251 13 15 [************+-*] 1
108 1 20 ARG QB 1 23 PRO QB . 4.061 4.475 8.125 8.038 8.287 3.812 15 15 [*************-+] 1
109 1 20 ARG QD 1 20 ARG HG2 . 2.510 2.726 2.434 2.327 2.506 0.183 10 0 "[ . 1 .]" 1
110 1 20 ARG QD 1 20 ARG HG3 . 2.521 2.741 2.406 2.331 2.507 0.190 14 0 "[ . 1 .]" 1
111 1 21 THR H 1 21 THR HA . 2.649 2.901 2.239 2.204 2.282 0.445 13 0 "[ . 1 .]" 1
112 1 21 THR H 1 21 THR MG . 3.071 3.294 2.420 2.338 2.492 0.733 14 15 [************-+*] 1
113 1 21 THR HA 1 22 GLY H . 2.512 2.744 2.713 2.699 2.721 . 0 0 "[ . 1 .]" 1
114 1 21 THR HA 1 23 PRO HA . 2.955 3.255 2.610 2.522 2.719 0.433 4 0 "[ . 1 .]" 1
115 1 21 THR HA 1 24 LEU H . 2.928 3.227 1.916 1.561 2.234 1.367 14 15 [****-********+*] 1
116 1 22 GLY QA 1 23 PRO HD2 . 4.369 5.888 4.634 4.575 4.680 . 0 0 "[ . 1 .]" 1
117 1 22 GLY QA 1 24 LEU H . 3.430 3.709 4.425 4.322 4.553 0.844 4 15 [***+**-********] 1
118 1 22 GLY QA 1 24 LEU QD . 3.528 3.763 3.897 3.067 4.819 1.056 10 3 "[ . - +* .]" 1
119 1 22 GLY QA 1 27 ALA H . 2.909 3.156 7.203 7.094 7.357 4.201 5 15 [****+*******-**] 1
120 1 22 GLY QA 1 27 ALA MB . 4.108 4.406 3.845 3.719 4.097 0.389 13 0 "[ . 1 .]" 1
121 1 22 GLY QA 1 28 CYS H . 3.174 3.455 7.957 7.807 8.073 4.618 11 15 [**********+***-] 1
122 1 23 PRO HA 1 23 PRO QG . 3.115 3.360 3.615 3.599 3.628 0.268 7 0 "[ . 1 .]" 1
123 1 23 PRO HA 1 24 LEU H . 2.624 2.878 2.512 2.452 2.600 0.172 13 0 "[ . 1 .]" 1
124 1 23 PRO QB 1 23 PRO HD3 . 3.315 3.595 3.093 2.952 3.191 0.363 3 0 "[ . 1 .]" 1
125 1 23 PRO QB 1 26 PRO QD . 3.685 4.102 5.987 5.654 6.466 2.364 7 15 [******+******-*] 1
126 1 24 LEU H 1 24 LEU QB . 2.508 2.719 2.887 2.607 3.347 0.628 4 2 "[ +. 1 - .]" 1
127 1 24 LEU HA 1 24 LEU QD . 3.028 3.266 2.922 2.265 3.379 0.763 5 3 "[ - + 1 *.]" 1
128 1 24 LEU HA 1 25 CYS H . 2.192 2.407 2.604 2.580 2.664 0.257 11 0 "[ . 1 .]" 1
129 1 24 LEU HA 1 27 ALA H . 4.204 4.519 3.003 2.974 3.060 1.230 2 15 [*+***********-*] 1
130 1 24 LEU HA 1 28 CYS QB . 4.456 4.959 3.729 3.529 4.065 0.927 6 13 "[*****+ *** **-*]" 1
131 1 24 LEU QB 1 24 LEU QD . 2.763 2.983 2.098 2.001 2.240 0.762 1 15 [+***********-**] 1
132 1 24 LEU QB 1 25 CYS H . 4.078 4.755 2.694 2.584 2.814 1.494 1 15 [+************-*] 1
133 1 24 LEU QB 1 28 CYS H . 4.279 5.091 5.883 5.575 6.202 1.111 14 14 "[****** *-****+*]" 1
134 1 24 LEU QB 1 29 MET ME . 4.369 4.684 10.057 8.636 11.767 7.083 2 15 [*+***-*********] 1
135 1 24 LEU QD 1 27 ALA MB . 4.903 5.540 3.446 2.585 4.008 2.318 13 15 [*********-**+**] 1
136 1 24 LEU QD 1 28 CYS HA . 4.137 4.631 4.776 3.577 5.499 0.868 15 6 "[* *- *1 * +]" 1
137 1 24 LEU HG 1 25 CYS H . 3.137 3.473 4.919 4.253 5.329 1.856 11 15 [*-********+****] 1
138 1 24 LEU HG 1 28 CYS H . 3.623 3.981 6.739 5.103 8.155 4.174 4 15 [***+**-********] 1
139 1 25 CYS H 1 25 CYS HA . 2.527 2.764 2.460 2.367 2.606 0.160 7 0 "[ . 1 .]" 1
140 1 25 CYS H 1 25 CYS QB . 2.655 2.912 1.950 1.792 2.081 0.863 3 15 [**+*******-****] 1
141 1 25 CYS H 1 28 CYS HA . 3.374 3.757 6.372 6.050 6.947 3.190 7 15 [*-****+********] 1
142 1 25 CYS HA 1 25 CYS QB . 2.373 2.600 2.065 2.033 2.093 0.340 7 0 "[ . 1 .]" 1
143 1 25 CYS HA 1 27 ALA H . 3.301 3.706 2.390 2.101 2.465 1.200 14 15 [*************+-] 1
144 1 25 CYS HA 1 28 CYS H . 3.018 3.305 2.800 2.775 2.834 0.243 7 0 "[ . 1 .]" 1
145 1 25 CYS QB 1 26 PRO QD . 3.572 4.033 3.482 2.065 3.679 1.507 7 1 "[ . + 1 .]" 1
146 1 25 CYS SG 1 28 CYS SG . 3.820 3.840 3.889 3.803 3.970 0.130 2 0 "[ . 1 .]" 1
147 1 26 PRO HA 1 26 PRO QG . 3.195 3.447 3.454 3.011 3.545 0.184 7 0 "[ . 1 .]" 1
148 1 26 PRO HA 1 27 ALA H . 3.385 3.864 3.141 2.931 3.241 0.454 7 0 "[ . 1 .]" 1
149 1 27 ALA H 1 27 ALA MB . 3.390 3.719 2.320 2.262 2.384 1.128 3 15 [**+*********-**] 1
150 1 27 ALA HA 1 28 CYS H . 2.496 2.732 3.316 3.251 3.431 0.699 7 15 [******+**-*****] 1
151 1 28 CYS HA 1 29 MET H . 3.399 3.911 2.220 2.014 3.513 1.385 6 14 "[* *-*+*********]" 1
152 1 29 MET H 1 29 MET HA . 2.904 3.191 2.970 2.427 3.052 0.477 2 0 "[ . 1 .]" 1
153 1 29 MET HA 1 29 MET ME . 3.321 3.630 4.428 3.849 5.334 1.704 14 12 "[* ****-* *** +*]" 1
154 1 29 MET HA 1 30 LYS H . 2.496 2.739 2.484 2.388 2.521 0.108 11 0 "[ . 1 .]" 1
155 1 30 LYS H 1 30 LYS HA . 2.659 2.928 2.950 2.939 2.972 0.044 3 0 "[ . 1 .]" 1
156 1 30 LYS HA 1 30 LYS HB2 . 2.863 3.143 3.076 3.048 3.090 . 0 0 "[ . 1 .]" 1
157 1 30 LYS HA 1 31 ALA MB . 4.496 5.868 4.106 2.638 4.935 1.858 3 5 "[ + .* - 1 * *.]" 1
stop_
save_
Contact the webmaster for help, if required. Sunday, June 23, 2024 7:04:06 PM GMT (wattos1)