NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
642983 |
6g4k   |
34251 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6g4k
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 125
_Distance_constraint_stats_list.Viol_count 1047
_Distance_constraint_stats_list.Viol_total 13726.835
_Distance_constraint_stats_list.Viol_max 2.105
_Distance_constraint_stats_list.Viol_rms 0.4486
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2745
_Distance_constraint_stats_list.Viol_average_violations_only 0.6555
_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 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 PRO 4.785 0.361 6 0 "[ . 1 . 2]"
1 4 ILE 62.314 1.590 15 20 [**********-***+*****]
1 5 LEU 37.492 1.438 19 20 [****-*************+*]
1 6 ALA 56.879 1.405 12 20 [***-*******+********]
1 7 SER 123.490 1.405 12 20 [***-*******+********]
1 8 LEU 73.263 1.312 14 20 [*************+*****-]
1 9 ALA 44.290 1.521 4 20 [***+****-***********]
1 10 ALA 81.095 1.737 4 20 [***+**********-*****]
1 11 LYS 69.269 1.312 14 20 [*************+-*****]
1 12 PHE 4.025 0.658 20 1 "[ . 1 . +]"
1 13 GLY 103.678 1.737 4 20 [***+************-***]
1 14 PRO 30.635 1.619 15 20 [**-***********+*****]
1 15 LYS 15.923 0.717 18 11 "[* *** *- * ** + *]"
1 16 LEU 17.553 0.605 5 20 [****+************-**]
1 17 PHE 37.468 1.246 17 20 [****************+-**]
1 18 CYS 99.845 1.655 6 20 [*****+***-**********]
1 19 LEU 117.461 2.105 17 20 [****************+*-*]
1 20 VAL 52.866 1.539 16 20 [***************+*-**]
1 21 THR 15.505 1.539 17 11 "[ * ** *1 *-*. +***]"
1 22 LYS 60.589 2.105 17 20 [**********-*****+***]
1 23 LYS 58.796 1.539 17 20 [**********-*****+***]
1 24 CYS 66.825 1.509 15 20 [**************+**-**]
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 PHE QB 1 2 LEU H . . 4.760 2.603 1.892 3.525 . 0 0 "[ . 1 . 2]" 1
2 1 3 PRO HA 1 4 ILE H . . 2.400 2.475 2.365 2.593 0.193 15 0 "[ . 1 . 2]" 1
3 1 3 PRO QD 1 4 ILE H . . 4.090 4.248 4.042 4.451 0.361 6 0 "[ . 1 . 2]" 1
4 1 3 PRO QG 1 4 ILE H . . 5.500 4.513 4.373 4.652 . 0 0 "[ . 1 . 2]" 1
5 1 4 ILE H 1 4 ILE HA . . 2.400 2.730 2.703 2.757 0.357 19 0 "[ . 1 . 2]" 1
6 1 4 ILE H 1 4 ILE HB . . 2.680 2.404 2.323 2.528 . 0 0 "[ . 1 . 2]" 1
7 1 4 ILE H 1 4 ILE QG . . 2.390 3.858 1.997 3.980 1.590 15 19 "[****-*********+*** *]" 1
8 1 4 ILE H 1 5 LEU H . . 5.250 3.054 3.020 3.114 . 0 0 "[ . 1 . 2]" 1
9 1 4 ILE HA 1 7 SER H . . 2.400 3.458 3.341 3.580 1.180 20 20 [**********-********+] 1
10 1 4 ILE HB 1 5 LEU H . . 4.110 4.016 2.636 4.117 0.007 8 0 "[ . 1 . 2]" 1
11 1 5 LEU H 1 5 LEU QB . . 2.380 2.501 2.447 2.526 0.146 20 0 "[ . 1 . 2]" 1
12 1 5 LEU H 1 5 LEU HG . . 2.400 2.401 2.069 3.838 1.438 19 4 "[ . * -1* . +2]" 1
13 1 5 LEU H 1 6 ALA H . . 2.990 2.848 2.806 2.910 . 0 0 "[ . 1 . 2]" 1
14 1 5 LEU H 1 7 SER H . . 4.480 4.235 4.176 4.312 . 0 0 "[ . 1 . 2]" 1
15 1 5 LEU HA 1 8 LEU H . . 2.400 3.419 3.343 3.563 1.163 20 20 [****-**************+] 1
16 1 5 LEU HA 1 8 LEU QB . . 2.390 2.499 2.399 2.615 0.225 7 0 "[ . 1 . 2]" 1
17 1 5 LEU QB 1 6 ALA H . . 2.390 2.772 2.533 3.563 1.173 11 4 "[ . * *1+ . - 2]" 1
18 1 6 ALA H 1 6 ALA MB . . 3.340 2.204 2.191 2.219 . 0 0 "[ . 1 . 2]" 1
19 1 6 ALA H 1 7 SER H . . 3.760 2.680 2.641 2.713 . 0 0 "[ . 1 . 2]" 1
20 1 6 ALA HA 1 7 SER H . . 3.080 3.580 3.571 3.595 0.515 20 10 "[** -. 1 *** ***+]" 1
21 1 6 ALA HA 1 9 ALA H . . 2.960 3.552 3.427 3.738 0.778 17 18 "[********-** *** +***]" 1
22 1 6 ALA MB 1 7 SER H . . 3.940 2.535 2.489 2.579 . 0 0 "[ . 1 . 2]" 1
23 1 6 ALA MB 1 7 SER QB . . 2.490 3.859 3.806 3.895 1.405 12 20 [**-********+********] 1
24 1 7 SER H 1 7 SER HB2 . . 2.400 2.408 2.352 2.488 0.088 20 0 "[ . 1 . 2]" 1
25 1 7 SER H 1 7 SER HB3 . . 2.400 2.694 2.651 2.879 0.479 17 0 "[ . 1 . 2]" 1
26 1 7 SER H 1 8 LEU H . . 3.480 2.840 2.762 2.882 . 0 0 "[ . 1 . 2]" 1
27 1 7 SER H 1 9 ALA H . . 4.200 4.449 4.366 4.508 0.308 19 0 "[ . 1 . 2]" 1
28 1 7 SER HA 1 8 LEU H . . 2.400 3.615 3.582 3.633 1.233 13 20 [************+***-***] 1
29 1 7 SER HA 1 10 ALA H . . 2.400 3.653 3.487 3.799 1.399 18 20 [*****************+*-] 1
30 1 7 SER HA 1 10 ALA MB . . 4.690 3.404 2.553 3.899 . 0 0 "[ . 1 . 2]" 1
31 1 7 SER QB 1 8 LEU H . . 2.390 2.603 2.562 2.717 0.327 17 0 "[ . 1 . 2]" 1
32 1 7 SER QB 1 11 LYS QG . . 5.340 4.961 3.440 5.454 0.114 6 0 "[ . 1 . 2]" 1
33 1 8 LEU H 1 8 LEU QB . . 2.240 2.085 2.057 2.129 . 0 0 "[ . 1 . 2]" 1
34 1 8 LEU H 1 9 ALA H . . 3.730 2.936 2.863 2.984 . 0 0 "[ . 1 . 2]" 1
35 1 8 LEU HA 1 11 LYS H . . 3.050 4.016 3.394 4.362 1.312 14 19 "[*************+** **-]" 1
36 1 8 LEU HA 1 12 PHE H . . 3.240 3.195 2.990 3.898 0.658 20 1 "[ . 1 . +]" 1
37 1 8 LEU QB 1 9 ALA H . . 2.550 2.590 2.429 2.699 0.149 14 0 "[ . 1 . 2]" 1
38 1 9 ALA H 1 9 ALA MB . . 3.530 2.181 2.172 2.194 . 0 0 "[ . 1 . 2]" 1
39 1 9 ALA H 1 10 ALA H . . 3.890 2.865 2.781 2.930 . 0 0 "[ . 1 . 2]" 1
40 1 9 ALA HA 1 12 PHE H . . 4.450 4.410 3.446 4.775 0.325 19 0 "[ . 1 . 2]" 1
41 1 9 ALA HA 1 13 GLY H . . 2.870 4.078 3.807 4.391 1.521 4 20 [***+*-**************] 1
42 1 9 ALA MB 1 13 GLY H . . 5.500 5.122 4.755 5.462 . 0 0 "[ . 1 . 2]" 1
43 1 10 ALA H 1 10 ALA HA . . 2.400 2.899 2.804 2.924 0.524 14 16 "[** **-* *****+** **2]" 1
44 1 10 ALA H 1 10 ALA MB . . 3.370 2.231 2.171 2.272 . 0 0 "[ . 1 . 2]" 1
45 1 10 ALA H 1 11 LYS H . . 3.980 2.641 2.514 3.005 . 0 0 "[ . 1 . 2]" 1
46 1 10 ALA HA 1 11 LYS H . . 2.870 3.387 3.142 3.637 0.767 3 11 "[**+ * * * * *-** 2]" 1
47 1 10 ALA HA 1 13 GLY H . . 3.020 4.359 3.697 4.757 1.737 4 20 [***+************-***] 1
48 1 10 ALA MB 1 11 LYS H . . 2.840 3.246 2.511 3.627 0.787 20 10 "[ *.** *1* * - **+]" 1
49 1 11 LYS H 1 11 LYS QB . . 2.220 2.606 2.402 2.803 0.583 20 4 "[- . *1 * . +]" 1
50 1 11 LYS H 1 12 PHE H . . 3.790 2.038 1.860 2.818 . 0 0 "[ . 1 . 2]" 1
51 1 11 LYS HA 1 13 GLY H . . 3.050 4.156 3.934 4.339 1.289 20 20 [**************-****+] 1
52 1 11 LYS QB 1 12 PHE H . . 3.270 3.057 2.660 3.507 0.237 12 0 "[ . 1 . 2]" 1
53 1 12 PHE H 1 12 PHE HB2 . . 4.010 2.464 2.224 2.654 . 0 0 "[ . 1 . 2]" 1
54 1 12 PHE H 1 12 PHE QB . . 3.480 2.426 2.148 2.604 . 0 0 "[ . 1 . 2]" 1
55 1 12 PHE H 1 12 PHE HB3 . . 4.010 3.638 2.840 3.781 . 0 0 "[ . 1 . 2]" 1
56 1 12 PHE H 1 13 GLY H . . 3.730 2.420 2.085 2.627 . 0 0 "[ . 1 . 2]" 1
57 1 12 PHE QB 1 13 GLY H . . 3.860 3.496 3.349 3.609 . 0 0 "[ . 1 . 2]" 1
58 1 12 PHE HB2 1 13 GLY H . . 4.450 3.747 3.626 4.087 . 0 0 "[ . 1 . 2]" 1
59 1 12 PHE HB3 1 13 GLY H . . 4.450 4.224 3.557 4.399 . 0 0 "[ . 1 . 2]" 1
60 1 13 GLY H 1 14 PRO QB . . 4.290 5.822 5.707 5.909 1.619 15 20 [**-***********+*****] 1
61 1 13 GLY H 1 14 PRO QD . . 3.100 2.772 2.627 2.894 . 0 0 "[ . 1 . 2]" 1
62 1 14 PRO HA 1 17 PHE H . . 4.420 3.176 3.060 3.448 . 0 0 "[ . 1 . 2]" 1
63 1 14 PRO QD 1 15 LYS H . . 4.530 2.765 2.662 2.886 . 0 0 "[ . 1 . 2]" 1
64 1 14 PRO HD2 1 15 LYS H . . 5.320 2.825 2.714 2.957 . 0 0 "[ . 1 . 2]" 1
65 1 14 PRO HD3 1 15 LYS H . . 5.320 3.932 3.838 4.029 . 0 0 "[ . 1 . 2]" 1
66 1 14 PRO QG 1 15 LYS H . . 3.910 2.616 2.551 2.724 . 0 0 "[ . 1 . 2]" 1
67 1 15 LYS H 1 15 LYS HB2 . . 2.990 2.514 2.301 2.798 . 0 0 "[ . 1 . 2]" 1
68 1 15 LYS H 1 15 LYS HB3 . . 2.990 2.437 2.171 2.819 . 0 0 "[ . 1 . 2]" 1
69 1 15 LYS H 1 15 LYS QG . . 4.670 3.980 3.901 4.103 . 0 0 "[ . 1 . 2]" 1
70 1 15 LYS H 1 16 LEU H . . 3.950 2.643 2.582 2.690 . 0 0 "[ . 1 . 2]" 1
71 1 15 LYS H 1 16 LEU QB . . 5.500 4.283 4.172 4.580 . 0 0 "[ . 1 . 2]" 1
72 1 15 LYS H 1 17 PHE H . . 5.340 4.167 4.032 4.361 . 0 0 "[ . 1 . 2]" 1
73 1 15 LYS HA 1 18 CYS H . . 2.830 3.343 3.202 3.547 0.717 18 11 "[* *** *- * ** + *]" 1
74 1 15 LYS HA 1 18 CYS QB . . 3.940 3.014 2.337 4.163 0.223 6 0 "[ . 1 . 2]" 1
75 1 15 LYS QB 1 16 LEU H . . 2.390 2.662 2.553 2.802 0.412 19 0 "[ . 1 . 2]" 1
76 1 16 LEU H 1 16 LEU QB . . 3.460 2.179 2.084 2.411 . 0 0 "[ . 1 . 2]" 1
77 1 16 LEU H 1 17 PHE H . . 3.240 2.828 2.764 2.892 . 0 0 "[ . 1 . 2]" 1
78 1 16 LEU HA 1 16 LEU QB . . 2.400 2.417 2.394 2.462 0.062 10 0 "[ . 1 . 2]" 1
79 1 16 LEU HA 1 17 PHE H . . 3.020 3.608 3.579 3.625 0.605 5 20 [****+************-**] 1
80 1 16 LEU HA 1 19 LEU H . . 4.170 3.550 3.370 3.852 . 0 0 "[ . 1 . 2]" 1
81 1 16 LEU QB 1 17 PHE H . . 4.020 2.517 2.469 2.571 . 0 0 "[ . 1 . 2]" 1
82 1 17 PHE H 1 17 PHE HB2 . . 3.640 2.433 2.217 2.556 . 0 0 "[ . 1 . 2]" 1
83 1 17 PHE H 1 17 PHE HB3 . . 3.640 2.623 2.433 3.604 . 0 0 "[ . 1 . 2]" 1
84 1 17 PHE H 1 17 PHE QD . . 5.260 4.063 2.543 4.179 . 0 0 "[ . 1 . 2]" 1
85 1 17 PHE H 1 18 CYS H . . 5.190 2.846 2.779 2.913 . 0 0 "[ . 1 . 2]" 1
86 1 17 PHE HA 1 17 PHE QD . . 4.330 2.531 2.101 2.693 . 0 0 "[ . 1 . 2]" 1
87 1 17 PHE HA 1 17 PHE QE . . 5.450 4.473 4.393 4.517 . 0 0 "[ . 1 . 2]" 1
88 1 17 PHE HA 1 18 CYS H . . 2.400 3.612 3.572 3.643 1.243 13 20 [************+***-***] 1
89 1 17 PHE QB 1 18 CYS H . . 2.720 2.585 2.497 2.903 0.183 17 0 "[ . 1 . 2]" 1
90 1 17 PHE QD 1 18 CYS H . . 4.490 3.761 3.540 4.432 . 0 0 "[ . 1 . 2]" 1
91 1 17 PHE QD 1 18 CYS HA . . 4.820 3.991 3.515 6.066 1.246 17 1 "[ . 1 . + 2]" 1
92 1 18 CYS H 1 18 CYS HA . . 2.400 2.808 2.769 2.911 0.511 18 1 "[ . 1 . + 2]" 1
93 1 18 CYS H 1 18 CYS QB . . 2.760 2.342 2.137 2.633 . 0 0 "[ . 1 . 2]" 1
94 1 18 CYS HA 1 19 LEU H . . 2.400 3.622 3.564 3.655 1.255 20 20 [*****-*************+] 1
95 1 18 CYS HA 1 21 THR H . . 4.480 3.878 3.358 5.194 0.714 17 1 "[ . 1 . + 2]" 1
96 1 18 CYS QB 1 19 LEU H . . 2.260 3.101 2.468 3.915 1.655 6 11 "[ ****+ 1 ***. *-*]" 1
97 1 18 CYS QB 1 24 CYS H . . 4.610 3.950 3.252 5.191 0.581 18 1 "[ . 1 . + 2]" 1
98 1 18 CYS QB 1 24 CYS QB . . 3.110 3.703 2.321 4.619 1.509 15 12 "[- * ** ** *+*** *]" 1
99 1 19 LEU H 1 19 LEU QB . . 2.390 2.502 2.143 2.700 0.310 5 0 "[ . 1 . 2]" 1
100 1 19 LEU H 1 19 LEU HG . . 3.720 2.847 2.302 4.376 0.656 13 1 "[ . 1 + . 2]" 1
101 1 19 LEU H 1 20 VAL H . . 4.040 2.806 2.680 2.931 . 0 0 "[ . 1 . 2]" 1
102 1 19 LEU HA 1 20 VAL H . . 2.400 3.617 3.473 3.653 1.253 13 20 [************+****-**] 1
103 1 19 LEU HA 1 22 LYS H . . 2.400 3.486 3.112 4.505 2.105 17 20 [***************-+***] 1
104 1 19 LEU QB 1 20 VAL H . . 2.380 3.675 2.526 3.919 1.539 16 19 "[********-*** **+****]" 1
105 1 20 VAL H 1 20 VAL HB . . 3.450 2.456 2.348 2.571 . 0 0 "[ . 1 . 2]" 1
106 1 20 VAL H 1 21 THR H . . 3.890 2.807 2.656 2.968 . 0 0 "[ . 1 . 2]" 1
107 1 20 VAL HB 1 21 THR H . . 3.920 3.890 2.172 4.118 0.198 1 0 "[ . 1 . 2]" 1
108 1 21 THR H 1 22 LYS H . . 3.790 2.558 2.107 2.694 . 0 0 "[ . 1 . 2]" 1
109 1 21 THR HB 1 23 LYS H . . 4.070 4.480 3.316 5.609 1.539 17 11 "[ * ** *1 *-*. +***]" 1
110 1 22 LYS H 1 22 LYS HA . . 2.400 2.179 2.154 2.218 . 0 0 "[ . 1 . 2]" 1
111 1 22 LYS H 1 22 LYS QB . . 3.240 3.261 2.703 3.549 0.309 1 0 "[ . 1 . 2]" 1
112 1 22 LYS H 1 22 LYS QG . . 2.400 3.192 2.488 4.244 1.844 15 12 "[** * ** *- *+* * *]" 1
113 1 22 LYS H 1 23 LYS H . . 3.790 2.724 2.181 3.291 . 0 0 "[ . 1 . 2]" 1
114 1 22 LYS HA 1 23 LYS H . . 2.400 2.816 2.497 3.479 1.079 18 7 "[* . * ** *- + 2]" 1
115 1 22 LYS QB 1 23 LYS H . . 3.290 3.866 3.035 4.068 0.778 14 16 "[ ***** **1-**+*** **]" 1
116 1 23 LYS H 1 23 LYS QB . . 2.370 2.626 2.344 2.849 0.479 8 0 "[ . 1 . 2]" 1
117 1 23 LYS H 1 23 LYS QG . . 4.040 3.452 2.482 4.308 0.268 10 0 "[ . 1 . 2]" 1
118 1 23 LYS H 1 24 CYS H . . 3.700 2.125 1.683 4.404 0.704 18 1 "[ . 1 . + 2]" 1
119 1 23 LYS QB 1 24 CYS H . . 2.390 3.352 2.382 3.894 1.504 18 15 "[****. ** ****-***+ 2]" 1
120 1 24 CYS H 1 24 CYS HA . . 2.400 2.620 2.177 2.966 0.566 19 9 "[ * ** *1 **. -+*]" 1
121 1 24 CYS H 1 24 CYS HB2 . . 3.270 3.071 2.186 4.029 0.759 5 3 "[ + - . * 2]" 1
122 1 24 CYS H 1 24 CYS QB . . 2.800 2.868 2.126 3.499 0.699 10 8 "[* . ** +* **- 2]" 1
123 1 24 CYS H 1 24 CYS HB3 . . 3.270 3.634 2.845 4.142 0.872 15 8 "[* . ** ** +*- 2]" 1
124 1 24 CYS HA 1 24 CYS HB2 . . 2.650 2.907 2.465 3.064 0.414 20 0 "[ . 1 . 2]" 1
125 1 24 CYS HA 1 24 CYS HB3 . . 2.650 2.620 2.406 3.061 0.411 3 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Monday, April 29, 2024 12:07:36 PM GMT (wattos1)