NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
406869 |
1xy4   |
6422 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1xy4
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 142
_Distance_constraint_stats_list.Viol_count 200
_Distance_constraint_stats_list.Viol_total 71.189
_Distance_constraint_stats_list.Viol_max 0.168
_Distance_constraint_stats_list.Viol_rms 0.0164
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0050
_Distance_constraint_stats_list.Viol_average_violations_only 0.0356
_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 TYR 0.780 0.063 7 0 "[ . 1]"
1 2 CYS 1.238 0.098 10 0 "[ . 1]"
1 3 LYS 1.768 0.098 10 0 "[ . 1]"
1 5 PHE 0.489 0.087 5 0 "[ . 1]"
1 6 DTR 0.000 0.000 4 0 "[ . 1]"
1 7 IAM 0.000 0.000 . 0 "[ . 1]"
1 8 THR 1.961 0.136 3 0 "[ . 1]"
1 9 PHE 1.954 0.136 3 0 "[ . 1]"
1 10 LYS 2.426 0.168 10 0 "[ . 1]"
1 11 SER 1.101 0.168 10 0 "[ . 1]"
1 12 CYS 0.596 0.071 7 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 TYR HA 1 1 TYR HB2 . . 2.830 2.840 2.833 2.865 0.035 3 0 "[ . 1]" 1
2 1 1 TYR HA 1 1 TYR QB . . 2.570 2.228 2.227 2.229 . 0 0 "[ . 1]" 1
3 1 1 TYR HA 1 1 TYR HB3 . . 2.830 2.329 2.324 2.330 . 0 0 "[ . 1]" 1
4 1 1 TYR HA 1 2 CYS H . . 2.800 2.814 2.761 2.822 0.022 6 0 "[ . 1]" 1
5 1 1 TYR QB 1 2 CYS H . . 2.700 1.942 1.921 2.077 . 0 0 "[ . 1]" 1
6 1 1 TYR QB 1 3 LYS H . . 5.540 5.206 4.594 5.500 . 0 0 "[ . 1]" 1
7 1 1 TYR HB2 1 2 CYS H . . 2.900 1.971 1.946 2.125 . 0 0 "[ . 1]" 1
8 1 1 TYR HB3 1 2 CYS H . . 2.900 2.948 2.922 2.963 0.063 7 0 "[ . 1]" 1
9 1 1 TYR QD 1 2 CYS H . . 7.640 3.900 3.813 4.079 . 0 0 "[ . 1]" 1
10 1 1 TYR QD 1 3 LYS HA . . 7.640 4.928 4.436 5.685 . 0 0 "[ . 1]" 1
11 1 1 TYR QD 1 3 LYS QD . . 8.520 4.314 2.813 5.452 . 0 0 "[ . 1]" 1
12 1 1 TYR QD 1 3 LYS QG . . 8.520 3.677 1.939 4.583 . 0 0 "[ . 1]" 1
13 1 1 TYR QE 1 3 LYS HA . . 7.630 6.417 5.733 7.634 0.004 10 0 "[ . 1]" 1
14 1 1 TYR QE 1 3 LYS QB . . 8.510 4.722 4.220 5.730 . 0 0 "[ . 1]" 1
15 1 1 TYR QE 1 3 LYS QD . . 8.510 4.604 1.992 5.931 . 0 0 "[ . 1]" 1
16 1 1 TYR QE 1 3 LYS HG2 . . 7.630 5.512 3.585 6.216 . 0 0 "[ . 1]" 1
17 1 1 TYR QE 1 3 LYS QG . . 7.400 5.059 2.977 5.958 . 0 0 "[ . 1]" 1
18 1 1 TYR QE 1 3 LYS HG3 . . 7.630 6.160 3.181 7.639 0.009 7 0 "[ . 1]" 1
19 1 2 CYS H 1 2 CYS HA . . 2.900 2.831 2.757 2.897 . 0 0 "[ . 1]" 1
20 1 2 CYS H 1 2 CYS HB2 . . 3.700 2.354 2.028 2.744 . 0 0 "[ . 1]" 1
21 1 2 CYS H 1 2 CYS QB . . 3.150 2.313 2.008 2.661 . 0 0 "[ . 1]" 1
22 1 2 CYS H 1 2 CYS HB3 . . 3.700 3.465 3.228 3.645 . 0 0 "[ . 1]" 1
23 1 2 CYS H 1 3 LYS H . . 5.470 4.476 4.092 4.614 . 0 0 "[ . 1]" 1
24 1 2 CYS H 1 3 LYS QB . . 5.730 5.358 5.142 5.807 0.077 3 0 "[ . 1]" 1
25 1 2 CYS H 1 3 LYS QG . . 6.190 4.693 3.242 5.159 . 0 0 "[ . 1]" 1
26 1 2 CYS H 1 12 CYS HA . . 4.110 4.124 4.102 4.167 0.057 10 0 "[ . 1]" 1
27 1 2 CYS HA 1 2 CYS QB . . 2.620 2.438 2.282 2.543 . 0 0 "[ . 1]" 1
28 1 2 CYS HA 1 3 LYS H . . 2.560 2.297 2.222 2.535 . 0 0 "[ . 1]" 1
29 1 2 CYS HA 1 3 LYS HA . . 4.630 4.453 4.407 4.546 . 0 0 "[ . 1]" 1
30 1 2 CYS HA 1 3 LYS QB . . 4.450 4.477 4.411 4.548 0.098 10 0 "[ . 1]" 1
31 1 2 CYS HA 1 3 LYS HG2 . . 5.470 3.759 3.289 4.516 . 0 0 "[ . 1]" 1
32 1 2 CYS HA 1 3 LYS QG . . 4.840 3.568 3.183 4.119 . 0 0 "[ . 1]" 1
33 1 2 CYS HA 1 3 LYS HG3 . . 5.470 4.557 4.171 4.757 . 0 0 "[ . 1]" 1
34 1 2 CYS HA 1 12 CYS HA . . 2.520 1.990 1.973 2.000 . 0 0 "[ . 1]" 1
35 1 2 CYS QB 1 3 LYS H . . 4.050 3.269 2.425 3.703 . 0 0 "[ . 1]" 1
36 1 2 CYS HB2 1 3 LYS H . . 4.540 4.263 3.339 4.562 0.022 10 0 "[ . 1]" 1
37 1 2 CYS HB2 1 3 LYS HA . . 5.500 5.026 4.284 5.467 . 0 0 "[ . 1]" 1
38 1 2 CYS HB3 1 3 LYS H . . 4.540 3.403 2.490 3.971 . 0 0 "[ . 1]" 1
39 1 2 CYS HB3 1 3 LYS HA . . 5.500 4.400 4.070 5.068 . 0 0 "[ . 1]" 1
40 1 3 LYS H 1 3 LYS QB . . 3.400 3.057 2.412 3.333 . 0 0 "[ . 1]" 1
41 1 3 LYS H 1 3 LYS QD . . 4.890 4.491 4.370 4.634 . 0 0 "[ . 1]" 1
42 1 3 LYS H 1 3 LYS HG2 . . 3.080 2.776 2.431 3.119 0.039 10 0 "[ . 1]" 1
43 1 3 LYS H 1 3 LYS HG3 . . 3.080 2.923 2.585 3.110 0.030 3 0 "[ . 1]" 1
44 1 3 LYS H 1 10 LYS QD . . 6.380 5.598 4.374 6.420 0.040 10 0 "[ . 1]" 1
45 1 3 LYS H 1 11 SER H . . 2.830 2.789 2.398 2.922 0.092 7 0 "[ . 1]" 1
46 1 3 LYS H 1 11 SER QB . . 6.380 3.661 2.706 4.301 . 0 0 "[ . 1]" 1
47 1 3 LYS H 1 12 CYS HA . . 3.240 3.221 2.904 3.311 0.071 7 0 "[ . 1]" 1
48 1 3 LYS HA 1 3 LYS HG2 . . 3.670 3.314 2.319 3.725 0.055 8 0 "[ . 1]" 1
49 1 3 LYS HA 1 3 LYS QG . . 3.490 3.023 2.290 3.317 . 0 0 "[ . 1]" 1
50 1 3 LYS HA 1 3 LYS HG3 . . 3.670 3.677 3.545 3.727 0.057 4 0 "[ . 1]" 1
51 1 3 LYS HA 1 11 SER QB . . 6.380 5.254 4.511 5.842 . 0 0 "[ . 1]" 1
52 1 3 LYS QB 1 5 PHE QD . . 8.500 4.033 3.653 4.386 . 0 0 "[ . 1]" 1
53 1 3 LYS QB 1 5 PHE QE . . 8.030 3.976 3.103 4.591 . 0 0 "[ . 1]" 1
54 1 3 LYS QB 1 9 PHE QD . . 8.500 6.263 5.429 6.870 . 0 0 "[ . 1]" 1
55 1 3 LYS QB 1 9 PHE QE . . 8.500 6.302 5.246 7.391 . 0 0 "[ . 1]" 1
56 1 3 LYS QB 1 11 SER H . . 5.110 4.299 3.138 4.774 . 0 0 "[ . 1]" 1
57 1 3 LYS QD 1 5 PHE QE . . 8.500 3.820 2.341 5.318 . 0 0 "[ . 1]" 1
58 1 3 LYS QG 1 5 PHE QE . . 8.500 3.539 2.598 4.981 . 0 0 "[ . 1]" 1
59 1 3 LYS QG 1 9 PHE QD . . 8.500 5.977 4.957 7.672 . 0 0 "[ . 1]" 1
60 1 3 LYS QG 1 9 PHE QE . . 8.500 6.080 5.069 7.988 . 0 0 "[ . 1]" 1
61 1 5 PHE H 1 5 PHE HB2 . . 4.140 3.487 3.427 3.534 . 0 0 "[ . 1]" 1
62 1 5 PHE H 1 5 PHE QB . . 3.610 3.248 3.219 3.272 . 0 0 "[ . 1]" 1
63 1 5 PHE H 1 5 PHE HB3 . . 4.140 3.876 3.822 3.912 . 0 0 "[ . 1]" 1
64 1 5 PHE HA 1 6 DTR HD1 . . 5.500 4.826 4.194 5.488 . 0 0 "[ . 1]" 1
65 1 5 PHE HA 1 8 THR MG . . 5.380 4.177 4.084 4.276 . 0 0 "[ . 1]" 1
66 1 5 PHE HA 1 11 SER QB . . 6.280 6.227 6.145 6.310 0.030 6 0 "[ . 1]" 1
67 1 5 PHE QB 1 6 DTR HA . . 4.450 3.711 3.669 3.739 . 0 0 "[ . 1]" 1
68 1 5 PHE QB 1 9 PHE H . . 4.990 4.053 3.966 4.132 . 0 0 "[ . 1]" 1
69 1 5 PHE HB2 1 9 PHE H . . 5.500 4.167 4.065 4.267 . 0 0 "[ . 1]" 1
70 1 5 PHE HB2 1 9 PHE QD . . 7.620 4.241 3.635 5.009 . 0 0 "[ . 1]" 1
71 1 5 PHE HB2 1 9 PHE QE . . 7.620 4.669 3.441 7.132 . 0 0 "[ . 1]" 1
72 1 5 PHE HB3 1 9 PHE H . . 5.500 5.540 5.509 5.587 0.087 5 0 "[ . 1]" 1
73 1 5 PHE HB3 1 9 PHE QD . . 7.620 5.052 4.448 5.647 . 0 0 "[ . 1]" 1
74 1 5 PHE HB3 1 9 PHE QE . . 7.620 4.811 3.295 7.644 0.024 2 0 "[ . 1]" 1
75 1 5 PHE QD 1 8 THR MG . . 8.650 3.035 2.704 3.166 . 0 0 "[ . 1]" 1
76 1 5 PHE QD 1 9 PHE QB . . 8.500 4.231 3.515 4.773 . 0 0 "[ . 1]" 1
77 1 5 PHE QD 1 11 SER QB . . 8.500 3.894 3.807 4.016 . 0 0 "[ . 1]" 1
78 1 5 PHE QE 1 8 THR MG . . 8.650 4.516 4.354 4.627 . 0 0 "[ . 1]" 1
79 1 5 PHE QE 1 11 SER QB . . 8.500 1.893 1.790 1.986 . 0 0 "[ . 1]" 1
80 1 5 PHE HZ 1 8 THR MG . . 6.530 5.769 5.596 5.864 . 0 0 "[ . 1]" 1
81 1 6 DTR HA 1 6 DTR HD1 . . 4.450 2.777 2.074 3.442 . 0 0 "[ . 1]" 1
82 1 6 DTR HA 1 6 DTR HE3 . . 5.380 4.715 3.904 5.194 . 0 0 "[ . 1]" 1
83 1 6 DTR HA 1 8 THR H . . 4.630 4.563 4.357 4.630 . 4 0 "[ . 1]" 1
84 1 6 DTR HA 1 8 THR MG . . 6.000 3.467 3.276 3.597 . 0 0 "[ . 1]" 1
85 1 7 IAM HA 1 8 THR H . . 3.110 2.712 2.678 2.794 . 0 0 "[ . 1]" 1
86 1 7 IAM HA 1 8 THR MG . . 5.230 4.591 4.555 4.641 . 0 0 "[ . 1]" 1
87 1 8 THR H 1 8 THR HB . . 3.110 3.141 3.114 3.163 0.053 8 0 "[ . 1]" 1
88 1 8 THR H 1 8 THR MG . . 3.490 2.399 2.362 2.471 . 0 0 "[ . 1]" 1
89 1 8 THR H 1 10 LYS QD . . 5.140 5.136 4.954 5.201 0.061 8 0 "[ . 1]" 1
90 1 8 THR H 1 10 LYS QG . . 5.070 5.103 5.071 5.138 0.068 4 0 "[ . 1]" 1
91 1 8 THR HA 1 8 THR HB . . 2.900 2.521 2.514 2.537 . 0 0 "[ . 1]" 1
92 1 8 THR HA 1 8 THR MG . . 3.430 3.233 3.229 3.235 . 0 0 "[ . 1]" 1
93 1 8 THR HA 1 9 PHE H . . 3.110 3.133 3.010 3.185 0.075 1 0 "[ . 1]" 1
94 1 8 THR HA 1 9 PHE QB . . 5.510 5.002 4.784 5.120 . 0 0 "[ . 1]" 1
95 1 8 THR HA 1 9 PHE QD . . 7.620 5.325 4.732 6.410 . 0 0 "[ . 1]" 1
96 1 8 THR HB 1 9 PHE H . . 3.330 3.399 3.374 3.466 0.136 3 0 "[ . 1]" 1
97 1 8 THR HB 1 9 PHE QD . . 7.620 5.232 4.468 6.822 . 0 0 "[ . 1]" 1
98 1 8 THR MG 1 9 PHE HA . . 5.540 3.905 3.828 4.010 . 0 0 "[ . 1]" 1
99 1 8 THR MG 1 9 PHE QB . . 5.640 3.271 2.514 3.612 . 0 0 "[ . 1]" 1
100 1 8 THR MG 1 9 PHE QD . . 7.410 3.172 2.778 4.110 . 0 0 "[ . 1]" 1
101 1 8 THR MG 1 9 PHE QE . . 8.620 3.605 2.548 5.974 . 0 0 "[ . 1]" 1
102 1 8 THR MG 1 10 LYS H . . 5.380 5.033 4.978 5.116 . 0 0 "[ . 1]" 1
103 1 8 THR MG 1 10 LYS HA . . 6.370 4.824 4.736 5.008 . 0 0 "[ . 1]" 1
104 1 8 THR MG 1 11 SER H . . 6.530 6.236 5.959 6.541 0.011 2 0 "[ . 1]" 1
105 1 9 PHE H 1 9 PHE HA . . 2.930 2.729 2.685 2.774 . 0 0 "[ . 1]" 1
106 1 9 PHE H 1 9 PHE HB2 . . 3.480 3.129 2.374 3.459 . 0 0 "[ . 1]" 1
107 1 9 PHE H 1 9 PHE QB . . 3.170 2.430 2.115 2.606 . 0 0 "[ . 1]" 1
108 1 9 PHE H 1 9 PHE HB3 . . 3.480 2.561 2.337 2.695 . 0 0 "[ . 1]" 1
109 1 9 PHE H 1 10 LYS H . . 5.500 4.657 4.623 4.675 . 0 0 "[ . 1]" 1
110 1 9 PHE HA 1 9 PHE QB . . 2.650 2.275 2.227 2.383 . 0 0 "[ . 1]" 1
111 1 9 PHE HA 1 10 LYS H . . 2.740 2.479 2.355 2.595 . 0 0 "[ . 1]" 1
112 1 9 PHE QB 1 10 LYS H . . 3.280 2.777 2.231 3.326 0.046 10 0 "[ . 1]" 1
113 1 9 PHE QB 1 10 LYS HA . . 5.040 4.330 4.152 4.534 . 0 0 "[ . 1]" 1
114 1 9 PHE HB2 1 10 LYS H . . 3.700 2.945 2.257 3.766 0.066 10 0 "[ . 1]" 1
115 1 9 PHE HB3 1 10 LYS H . . 3.700 3.678 3.511 3.800 0.100 9 0 "[ . 1]" 1
116 1 9 PHE QD 1 11 SER QB . . 8.500 3.768 3.214 4.859 . 0 0 "[ . 1]" 1
117 1 9 PHE QE 1 11 SER QB . . 8.500 4.051 2.375 5.867 . 0 0 "[ . 1]" 1
118 1 10 LYS H 1 10 LYS HB2 . . 3.700 2.539 2.313 2.656 . 0 0 "[ . 1]" 1
119 1 10 LYS H 1 10 LYS QB . . 3.310 2.494 2.285 2.602 . 0 0 "[ . 1]" 1
120 1 10 LYS H 1 10 LYS HB3 . . 3.700 3.660 3.542 3.758 0.058 1 0 "[ . 1]" 1
121 1 10 LYS H 1 10 LYS QD . . 5.010 3.799 2.929 4.493 . 0 0 "[ . 1]" 1
122 1 10 LYS HA 1 10 LYS QB . . 2.660 2.412 2.317 2.497 . 0 0 "[ . 1]" 1
123 1 10 LYS HA 1 10 LYS QD . . 3.520 3.137 2.661 3.533 0.013 8 0 "[ . 1]" 1
124 1 10 LYS HA 1 11 SER H . . 2.430 2.292 2.234 2.344 . 0 0 "[ . 1]" 1
125 1 10 LYS HA 1 11 SER QB . . 4.800 3.979 3.903 4.155 . 0 0 "[ . 1]" 1
126 1 10 LYS QB 1 10 LYS QE . . 3.940 3.150 2.018 3.318 . 0 0 "[ . 1]" 1
127 1 10 LYS QB 1 11 SER H . . 3.840 2.927 2.758 3.063 . 0 0 "[ . 1]" 1
128 1 10 LYS HB2 1 10 LYS HE2 . . 4.960 4.275 4.108 4.441 . 0 0 "[ . 1]" 1
129 1 10 LYS HB2 1 10 LYS HE3 . . 4.960 3.963 2.926 4.614 . 0 0 "[ . 1]" 1
130 1 10 LYS HB2 1 11 SER H . . 4.170 4.101 3.790 4.187 0.017 10 0 "[ . 1]" 1
131 1 10 LYS HB2 1 11 SER HA . . 5.500 4.973 4.796 5.141 . 0 0 "[ . 1]" 1
132 1 10 LYS HB3 1 10 LYS HE2 . . 4.960 4.539 3.556 5.068 0.108 8 0 "[ . 1]" 1
133 1 10 LYS HB3 1 10 LYS HE3 . . 4.960 3.727 2.076 4.014 . 0 0 "[ . 1]" 1
134 1 10 LYS HB3 1 11 SER H . . 4.170 2.999 2.833 3.150 . 0 0 "[ . 1]" 1
135 1 10 LYS HB3 1 11 SER HA . . 5.500 4.538 4.248 4.959 . 0 0 "[ . 1]" 1
136 1 10 LYS QD 1 11 SER H . . 5.970 4.567 3.737 5.192 . 0 0 "[ . 1]" 1
137 1 10 LYS QD 1 11 SER HA . . 6.380 6.326 5.873 6.548 0.168 10 0 "[ . 1]" 1
138 1 10 LYS HE2 1 10 LYS QG . . 3.280 2.766 2.022 3.318 0.038 8 0 "[ . 1]" 1
139 1 10 LYS HE3 1 10 LYS QG . . 3.280 2.490 2.103 2.930 . 0 0 "[ . 1]" 1
140 1 10 LYS QG 1 11 SER H . . 5.910 4.026 3.484 4.492 . 0 0 "[ . 1]" 1
141 1 11 SER H 1 11 SER QB . . 3.900 2.523 2.214 2.751 . 0 0 "[ . 1]" 1
142 1 12 CYS H 1 12 CYS HA . . 2.800 2.709 2.212 2.862 0.062 4 0 "[ . 1]" 1
stop_
save_
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