NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
443235 |
2kef   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kef
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 124
_Distance_constraint_stats_list.Viol_count 572
_Distance_constraint_stats_list.Viol_total 1019.025
_Distance_constraint_stats_list.Viol_max 0.331
_Distance_constraint_stats_list.Viol_rms 0.0508
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0205
_Distance_constraint_stats_list.Viol_average_violations_only 0.0891
_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 2 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 PRO 0.059 0.059 18 0 "[ . 1 . 2]"
1 6 ILE 2.175 0.331 18 0 "[ . 1 . 2]"
1 7 CYS 2.279 0.077 12 0 "[ . 1 . 2]"
1 8 ILE 0.776 0.065 15 0 "[ . 1 . 2]"
1 9 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 CYS 3.083 0.130 1 0 "[ . 1 . 2]"
1 11 CYS 4.242 0.123 15 0 "[ . 1 . 2]"
1 12 GLY 3.344 0.125 15 0 "[ . 1 . 2]"
1 13 CYS 1.431 0.108 15 0 "[ . 1 . 2]"
1 14 CYS 1.583 0.112 10 0 "[ . 1 . 2]"
1 15 HIS 2.933 0.182 16 0 "[ . 1 . 2]"
1 16 ARG 5.245 0.182 16 0 "[ . 1 . 2]"
1 17 SER 5.231 0.212 14 0 "[ . 1 . 2]"
1 18 LYS 3.607 0.179 15 0 "[ . 1 . 2]"
1 19 CYS 16.670 0.273 17 0 "[ . 1 . 2]"
1 20 GLY 10.347 0.262 1 0 "[ . 1 . 2]"
1 21 MET 2.143 0.087 15 0 "[ . 1 . 2]"
1 22 CYS 5.202 0.117 15 0 "[ . 1 . 2]"
1 23 CYS 7.144 0.239 10 0 "[ . 1 . 2]"
1 24 LYS 1.469 0.077 12 0 "[ . 1 . 2]"
1 25 THR 1.406 0.082 17 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 2 THR HA 1 3 HIS H . . 3.450 2.332 2.141 3.450 . 0 0 "[ . 1 . 2]" 1
2 1 3 HIS HA 1 4 PHE H . . 2.990 2.464 2.218 2.718 . 0 0 "[ . 1 . 2]" 1
3 1 4 PHE H 1 4 PHE HB2 . . 4.070 3.702 2.484 3.949 . 0 0 "[ . 1 . 2]" 1
4 1 4 PHE HA 1 5 PRO HD3 . . 5.500 4.620 4.379 4.664 . 0 0 "[ . 1 . 2]" 1
5 1 5 PRO HA 1 6 ILE H . . 2.520 2.442 2.315 2.503 . 0 0 "[ . 1 . 2]" 1
6 1 5 PRO HB3 1 6 ILE HG13 . . 5.440 5.290 4.969 5.499 0.059 18 0 "[ . 1 . 2]" 1
7 1 6 ILE H 1 6 ILE HB . . 3.770 3.562 2.751 3.646 . 0 0 "[ . 1 . 2]" 1
8 1 6 ILE H 1 7 CYS H . . 4.360 4.370 4.363 4.405 0.045 3 0 "[ . 1 . 2]" 1
9 1 6 ILE HA 1 6 ILE HB . . 2.680 2.776 2.759 3.011 0.331 18 0 "[ . 1 . 2]" 1
10 1 6 ILE HA 1 7 CYS H . . 2.400 2.278 2.144 2.320 . 0 0 "[ . 1 . 2]" 1
11 1 6 ILE MG 1 7 CYS H . . 5.500 2.831 2.539 3.044 . 0 0 "[ . 1 . 2]" 1
12 1 6 ILE MG 1 7 CYS HA . . 5.500 5.013 3.960 5.090 . 0 0 "[ . 1 . 2]" 1
13 1 7 CYS H 1 7 CYS HB2 . . 3.610 2.407 2.378 2.431 . 0 0 "[ . 1 . 2]" 1
14 1 7 CYS H 1 7 CYS HB3 . . 3.110 3.141 3.130 3.156 0.046 16 0 "[ . 1 . 2]" 1
15 1 7 CYS HA 1 8 ILE H . . 2.400 2.146 2.139 2.152 . 0 0 "[ . 1 . 2]" 1
16 1 7 CYS HA 1 8 ILE MG . . 6.520 4.150 4.050 4.401 . 0 0 "[ . 1 . 2]" 1
17 1 7 CYS HA 1 23 CYS HA . . 2.400 1.926 1.915 1.935 . 0 0 "[ . 1 . 2]" 1
18 1 7 CYS HA 1 24 LYS H . . 3.520 3.593 3.591 3.597 0.077 12 0 "[ . 1 . 2]" 1
19 1 8 ILE H 1 8 ILE HA . . 3.080 2.891 2.872 2.896 . 0 0 "[ . 1 . 2]" 1
20 1 8 ILE H 1 8 ILE HB . . 4.290 3.879 3.840 3.890 . 0 0 "[ . 1 . 2]" 1
21 1 8 ILE H 1 8 ILE MD . . 5.500 3.783 2.008 4.101 . 0 0 "[ . 1 . 2]" 1
22 1 8 ILE H 1 8 ILE HG12 . . 5.500 2.943 2.558 4.078 . 0 0 "[ . 1 . 2]" 1
23 1 8 ILE H 1 22 CYS H . . 3.020 3.058 3.037 3.085 0.065 15 0 "[ . 1 . 2]" 1
24 1 8 ILE H 1 23 CYS HA . . 4.110 3.496 3.456 3.524 . 0 0 "[ . 1 . 2]" 1
25 1 8 ILE HA 1 8 ILE HB . . 2.990 2.564 2.544 2.641 . 0 0 "[ . 1 . 2]" 1
26 1 8 ILE HA 1 9 PHE H . . 2.800 2.530 2.482 2.585 . 0 0 "[ . 1 . 2]" 1
27 1 8 ILE HB 1 9 PHE H . . 2.900 2.103 1.986 2.193 . 0 0 "[ . 1 . 2]" 1
28 1 8 ILE MD 1 22 CYS QB . . 7.400 6.010 4.539 6.578 . 0 0 "[ . 1 . 2]" 1
29 1 8 ILE MG 1 10 CYS HB3 . . 6.520 6.428 6.375 6.527 0.007 13 0 "[ . 1 . 2]" 1
30 1 9 PHE H 1 9 PHE HA . . 3.140 2.890 2.872 2.909 . 0 0 "[ . 1 . 2]" 1
31 1 9 PHE H 1 9 PHE HB2 . . 2.490 2.134 2.107 2.171 . 0 0 "[ . 1 . 2]" 1
32 1 9 PHE H 1 10 CYS H . . 4.760 4.604 4.589 4.616 . 0 0 "[ . 1 . 2]" 1
33 1 9 PHE HA 1 10 CYS H . . 2.400 2.309 2.294 2.331 . 0 0 "[ . 1 . 2]" 1
34 1 9 PHE HA 1 21 MET HA . . 2.860 1.955 1.941 1.964 . 0 0 "[ . 1 . 2]" 1
35 1 9 PHE HA 1 21 MET ME . . 6.520 5.151 4.619 5.498 . 0 0 "[ . 1 . 2]" 1
36 1 9 PHE HA 1 22 CYS H . . 3.790 3.572 3.549 3.622 . 0 0 "[ . 1 . 2]" 1
37 1 9 PHE HB2 1 9 PHE HE1 . . 5.500 5.056 4.665 5.449 . 0 0 "[ . 1 . 2]" 1
38 1 9 PHE QD 1 10 CYS HA . . 5.500 4.552 4.463 4.625 . 0 0 "[ . 1 . 2]" 1
39 1 9 PHE QD 1 20 GLY HA3 . . 7.630 4.629 4.322 4.949 . 0 0 "[ . 1 . 2]" 1
40 1 9 PHE QD 1 21 MET HG2 . . 7.630 4.596 4.370 4.814 . 0 0 "[ . 1 . 2]" 1
41 1 9 PHE QE 1 19 CYS HB3 . . 7.630 3.077 2.846 3.322 . 0 0 "[ . 1 . 2]" 1
42 1 9 PHE QE 1 20 GLY HA3 . . 7.630 4.048 3.693 4.451 . 0 0 "[ . 1 . 2]" 1
43 1 9 PHE HZ 1 19 CYS HB3 . . 5.500 5.388 5.265 5.499 . 0 0 "[ . 1 . 2]" 1
44 1 10 CYS H 1 10 CYS HA . . 2.900 2.851 2.844 2.872 . 0 0 "[ . 1 . 2]" 1
45 1 10 CYS H 1 20 GLY H . . 2.900 3.014 2.988 3.030 0.130 1 0 "[ . 1 . 2]" 1
46 1 10 CYS HA 1 11 CYS H . . 3.400 2.217 2.196 2.229 . 0 0 "[ . 1 . 2]" 1
47 1 10 CYS HB2 1 11 CYS H . . 3.740 3.036 2.986 3.134 . 0 0 "[ . 1 . 2]" 1
48 1 10 CYS HB2 1 13 CYS HB3 . . 2.800 2.700 2.364 2.816 0.016 9 0 "[ . 1 . 2]" 1
49 1 10 CYS HB2 1 16 ARG HB3 . . 6.000 6.032 6.020 6.050 0.050 17 0 "[ . 1 . 2]" 1
50 1 11 CYS H 1 11 CYS HB2 . . 3.550 2.345 2.325 2.362 . 0 0 "[ . 1 . 2]" 1
51 1 11 CYS H 1 11 CYS HB3 . . 3.980 3.599 3.585 3.608 . 0 0 "[ . 1 . 2]" 1
52 1 11 CYS HA 1 12 GLY H . . 2.490 2.281 2.273 2.298 . 0 0 "[ . 1 . 2]" 1
53 1 11 CYS HA 1 19 CYS HA . . 3.000 1.878 1.858 1.894 . 0 0 "[ . 1 . 2]" 1
54 1 11 CYS HA 1 19 CYS HB3 . . 5.500 4.263 4.240 4.276 . 0 0 "[ . 1 . 2]" 1
55 1 11 CYS HA 1 20 GLY H . . 3.330 3.428 3.419 3.453 0.123 15 0 "[ . 1 . 2]" 1
56 1 11 CYS HB3 1 12 GLY H . . 4.010 4.070 4.056 4.098 0.088 17 0 "[ . 1 . 2]" 1
57 1 11 CYS HB3 1 19 CYS HA . . 5.500 4.111 4.090 4.148 . 0 0 "[ . 1 . 2]" 1
58 1 11 CYS HB3 1 19 CYS HB2 . . 4.380 4.434 4.426 4.441 0.061 17 0 "[ . 1 . 2]" 1
59 1 12 GLY H 1 12 GLY HA2 . . 2.490 2.468 2.463 2.484 . 0 0 "[ . 1 . 2]" 1
60 1 12 GLY H 1 13 CYS H . . 3.050 2.138 2.025 2.172 . 0 0 "[ . 1 . 2]" 1
61 1 12 GLY H 1 19 CYS HA . . 3.000 3.107 3.071 3.125 0.125 15 0 "[ . 1 . 2]" 1
62 1 12 GLY HA2 1 13 CYS H . . 3.110 2.740 2.714 2.823 . 0 0 "[ . 1 . 2]" 1
63 1 13 CYS H 1 13 CYS HA . . 3.110 2.934 2.930 2.945 . 0 0 "[ . 1 . 2]" 1
64 1 13 CYS H 1 13 CYS HB2 . . 3.790 3.854 3.799 3.898 0.108 15 0 "[ . 1 . 2]" 1
65 1 13 CYS H 1 13 CYS HB3 . . 3.330 3.237 3.072 3.296 . 0 0 "[ . 1 . 2]" 1
66 1 13 CYS HA 1 13 CYS HB2 . . 2.520 2.455 2.389 2.482 . 0 0 "[ . 1 . 2]" 1
67 1 13 CYS HA 1 13 CYS HB3 . . 2.620 2.452 2.425 2.523 . 0 0 "[ . 1 . 2]" 1
68 1 13 CYS HA 1 14 CYS H . . 3.140 2.412 2.397 2.453 . 0 0 "[ . 1 . 2]" 1
69 1 13 CYS HB2 1 14 CYS H . . 3.390 2.429 2.393 2.472 . 0 0 "[ . 1 . 2]" 1
70 1 14 CYS H 1 14 CYS HA . . 2.990 2.312 2.308 2.319 . 0 0 "[ . 1 . 2]" 1
71 1 14 CYS H 1 15 HIS H . . 4.140 3.040 3.010 3.106 . 0 0 "[ . 1 . 2]" 1
72 1 14 CYS HA 1 14 CYS HB2 . . 2.550 2.432 2.417 2.459 . 0 0 "[ . 1 . 2]" 1
73 1 14 CYS HA 1 14 CYS HB3 . . 2.710 2.476 2.447 2.491 . 0 0 "[ . 1 . 2]" 1
74 1 14 CYS HA 1 15 HIS H . . 3.170 2.745 2.688 2.772 . 0 0 "[ . 1 . 2]" 1
75 1 14 CYS HB3 1 22 CYS HB2 . . 2.800 2.879 2.835 2.912 0.112 10 0 "[ . 1 . 2]" 1
76 1 15 HIS H 1 15 HIS HA . . 2.430 2.275 2.274 2.276 . 0 0 "[ . 1 . 2]" 1
77 1 15 HIS H 1 15 HIS HB2 . . 3.700 3.270 3.028 3.694 . 0 0 "[ . 1 . 2]" 1
78 1 15 HIS H 1 16 ARG H . . 3.170 2.920 2.858 3.122 . 0 0 "[ . 1 . 2]" 1
79 1 15 HIS H 1 16 ARG HB2 . . 4.500 4.647 4.578 4.682 0.182 16 0 "[ . 1 . 2]" 1
80 1 15 HIS HA 1 15 HIS HB2 . . 3.140 2.762 2.602 3.020 . 0 0 "[ . 1 . 2]" 1
81 1 15 HIS HA 1 15 HIS HB3 . . 3.080 2.797 2.388 3.004 . 0 0 "[ . 1 . 2]" 1
82 1 15 HIS HA 1 16 ARG H . . 3.600 2.517 2.380 2.547 . 0 0 "[ . 1 . 2]" 1
83 1 16 ARG H 1 16 ARG HB3 . . 3.980 3.202 3.134 3.362 . 0 0 "[ . 1 . 2]" 1
84 1 16 ARG HA 1 17 SER H . . 2.620 2.343 2.268 2.445 . 0 0 "[ . 1 . 2]" 1
85 1 16 ARG HA 1 17 SER HA . . 4.500 4.567 4.518 4.626 0.126 16 0 "[ . 1 . 2]" 1
86 1 16 ARG HB3 1 16 ARG HG2 . . 2.900 2.339 2.208 3.011 0.111 19 0 "[ . 1 . 2]" 1
87 1 17 SER H 1 17 SER HA . . 3.020 2.763 2.746 2.791 . 0 0 "[ . 1 . 2]" 1
88 1 17 SER H 1 17 SER HB2 . . 3.270 2.515 2.324 3.482 0.212 14 0 "[ . 1 . 2]" 1
89 1 17 SER H 1 18 LYS H . . 3.470 2.913 2.803 2.933 . 0 0 "[ . 1 . 2]" 1
90 1 17 SER HA 1 17 SER HB2 . . 2.520 2.488 2.415 2.718 0.198 14 0 "[ . 1 . 2]" 1
91 1 17 SER HA 1 18 LYS H . . 3.390 3.561 3.504 3.569 0.179 15 0 "[ . 1 . 2]" 1
92 1 17 SER HB2 1 18 LYS H . . 3.830 3.677 2.880 3.849 0.019 16 0 "[ . 1 . 2]" 1
93 1 18 LYS H 1 18 LYS HA . . 2.990 2.755 2.728 2.838 . 0 0 "[ . 1 . 2]" 1
94 1 18 LYS H 1 18 LYS HB2 . . 3.640 2.559 2.073 2.594 . 0 0 "[ . 1 . 2]" 1
95 1 18 LYS H 1 18 LYS HB3 . . 3.140 2.511 2.458 3.300 0.160 16 0 "[ . 1 . 2]" 1
96 1 18 LYS HA 1 19 CYS H . . 3.620 3.532 3.522 3.542 . 0 0 "[ . 1 . 2]" 1
97 1 19 CYS H 1 19 CYS HA . . 3.110 2.778 2.771 2.788 . 0 0 "[ . 1 . 2]" 1
98 1 19 CYS H 1 19 CYS HB2 . . 2.930 3.192 3.177 3.203 0.273 17 0 "[ . 1 . 2]" 1
99 1 19 CYS H 1 19 CYS HB3 . . 3.700 3.625 3.603 3.652 . 0 0 "[ . 1 . 2]" 1
100 1 19 CYS H 1 20 GLY H . . 3.520 3.764 3.743 3.782 0.262 1 0 "[ . 1 . 2]" 1
101 1 19 CYS HA 1 19 CYS HB3 . . 2.740 2.905 2.897 2.915 0.175 20 0 "[ . 1 . 2]" 1
102 1 19 CYS HA 1 20 GLY H . . 2.400 2.144 2.143 2.145 . 0 0 "[ . 1 . 2]" 1
103 1 19 CYS HB3 1 20 GLY H . . 4.210 3.904 3.885 3.922 . 0 0 "[ . 1 . 2]" 1
104 1 20 GLY H 1 20 GLY HA3 . . 3.020 2.595 2.565 2.608 . 0 0 "[ . 1 . 2]" 1
105 1 20 GLY HA2 1 21 MET H . . 2.490 2.485 2.454 2.503 0.013 5 0 "[ . 1 . 2]" 1
106 1 20 GLY HA3 1 21 MET H . . 2.590 2.645 2.626 2.677 0.087 15 0 "[ . 1 . 2]" 1
107 1 21 MET H 1 21 MET HA . . 3.110 2.939 2.934 2.945 . 0 0 "[ . 1 . 2]" 1
108 1 21 MET H 1 21 MET HB2 . . 2.800 2.820 2.782 2.852 0.052 13 0 "[ . 1 . 2]" 1
109 1 21 MET H 1 21 MET HB3 . . 2.590 2.615 2.584 2.648 0.058 13 0 "[ . 1 . 2]" 1
110 1 21 MET H 1 21 MET HG2 . . 5.160 4.474 4.445 4.600 . 0 0 "[ . 1 . 2]" 1
111 1 21 MET HA 1 22 CYS H . . 2.800 2.151 2.147 2.159 . 0 0 "[ . 1 . 2]" 1
112 1 22 CYS H 1 22 CYS HB2 . . 3.050 2.956 2.790 3.111 0.061 10 0 "[ . 1 . 2]" 1
113 1 22 CYS HA 1 22 CYS HB2 . . 2.900 2.989 2.966 3.017 0.117 15 0 "[ . 1 . 2]" 1
114 1 22 CYS HA 1 23 CYS H . . 2.400 2.414 2.365 2.484 0.084 17 0 "[ . 1 . 2]" 1
115 1 23 CYS H 1 23 CYS HB2 . . 2.650 2.670 2.668 2.674 0.024 1 0 "[ . 1 . 2]" 1
116 1 23 CYS H 1 23 CYS HB3 . . 3.480 3.714 3.702 3.719 0.239 10 0 "[ . 1 . 2]" 1
117 1 23 CYS HA 1 24 LYS H . . 2.460 2.254 2.238 2.262 . 0 0 "[ . 1 . 2]" 1
118 1 23 CYS HB2 1 24 LYS HA . . 5.380 5.143 5.137 5.150 . 0 0 "[ . 1 . 2]" 1
119 1 23 CYS HB2 1 25 THR HA . . 3.870 3.940 3.935 3.952 0.082 17 0 "[ . 1 . 2]" 1
120 1 24 LYS H 1 24 LYS HB2 . . 3.210 2.172 2.117 2.343 . 0 0 "[ . 1 . 2]" 1
121 1 24 LYS H 1 24 LYS HB3 . . 3.300 2.955 2.713 3.044 . 0 0 "[ . 1 . 2]" 1
122 1 24 LYS HA 1 25 THR H . . 3.450 3.408 3.404 3.413 . 0 0 "[ . 1 . 2]" 1
123 1 24 LYS HD2 1 24 LYS HG2 . . 2.710 2.596 2.497 2.708 . 0 0 "[ . 1 . 2]" 1
124 1 25 THR H 1 25 THR HB . . 2.960 2.911 2.909 2.912 . 0 0 "[ . 1 . 2]" 1
stop_
save_
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