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 |
|
|
637895 |
6dze   |
30490 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6dze
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 132
_Distance_constraint_stats_list.Viol_count 270
_Distance_constraint_stats_list.Viol_total 276.665
_Distance_constraint_stats_list.Viol_max 0.386
_Distance_constraint_stats_list.Viol_rms 0.0573
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0210
_Distance_constraint_stats_list.Viol_average_violations_only 0.1025
_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 SER 0.000 0.000 . 0 "[ . 1]"
1 3 ARG 0.610 0.190 5 0 "[ . 1]"
1 4 ARG 3.512 0.345 9 0 "[ . 1]"
1 5 PHE 4.056 0.303 8 0 "[ . 1]"
1 6 ARG 4.402 0.266 3 0 "[ . 1]"
1 7 PHE 4.724 0.386 10 0 "[ . 1]"
1 8 DPR 0.000 0.000 . 0 "[ . 1]"
1 9 PRO 4.363 0.322 8 0 "[ . 1]"
1 10 LYS 4.732 0.322 8 0 "[ . 1]"
1 11 ILE 3.500 0.345 9 0 "[ . 1]"
1 12 ILE 9.337 0.303 8 0 "[ . 1]"
1 13 PHE 3.521 0.224 5 0 "[ . 1]"
1 14 ASN 1.925 0.194 10 0 "[ . 1]"
1 16 ARG 0.592 0.131 8 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 2 SER HA 1 2 SER HB3 2.500 . 3.200 2.640 2.305 3.020 . 0 0 "[ . 1]" 1
2 1 3 ARG HA 1 3 ARG QB 2.500 . 3.200 2.288 2.172 2.458 . 0 0 "[ . 1]" 1
3 1 3 ARG HA 1 3 ARG QD 4.500 2.900 6.100 3.917 3.147 4.451 . 0 0 "[ . 1]" 1
4 1 3 ARG HA 1 3 ARG HG2 3.500 2.300 4.700 2.971 2.346 3.897 . 0 0 "[ . 1]" 1
5 1 3 ARG HA 1 3 ARG HG3 4.500 2.900 6.100 3.498 2.776 4.065 0.124 1 0 "[ . 1]" 1
6 1 3 ARG HA 1 4 ARG H . 2.900 3.200 3.096 2.817 3.390 0.190 5 0 "[ . 1]" 1
7 1 4 ARG H 1 4 ARG HA 4.500 2.900 6.100 2.901 2.833 2.957 0.067 5 0 "[ . 1]" 1
8 1 4 ARG H 1 4 ARG QB 3.500 2.300 4.700 2.601 2.158 3.314 0.142 7 0 "[ . 1]" 1
9 1 4 ARG HA 1 4 ARG QB 2.500 . 3.200 2.239 2.182 2.550 . 0 0 "[ . 1]" 1
10 1 4 ARG HA 1 4 ARG HG2 4.500 2.900 6.100 3.695 2.567 4.185 0.333 1 0 "[ . 1]" 1
11 1 4 ARG HA 1 4 ARG HG3 3.500 2.300 4.700 3.284 2.765 3.736 . 0 0 "[ . 1]" 1
12 1 4 ARG HA 1 5 PHE H 2.500 . 3.200 2.271 2.138 2.452 . 0 0 "[ . 1]" 1
13 1 4 ARG QB 1 4 ARG HG3 2.500 . 3.200 2.427 2.189 2.530 . 0 0 "[ . 1]" 1
14 1 4 ARG QB 1 5 PHE H 3.500 2.300 4.700 3.103 2.340 3.863 . 0 0 "[ . 1]" 1
15 1 4 ARG QB 1 13 PHE HB2 3.500 2.300 4.700 3.400 2.311 4.444 . 0 0 "[ . 1]" 1
16 1 4 ARG QD 1 11 ILE MD 2.500 . 3.200 3.425 3.362 3.545 0.345 9 0 "[ . 1]" 1
17 1 4 ARG HG3 1 13 PHE QD 4.500 2.900 6.100 4.571 4.200 5.030 . 0 0 "[ . 1]" 1
18 1 5 PHE H 1 5 PHE HA 4.500 2.900 6.100 2.952 2.937 2.961 . 0 0 "[ . 1]" 1
19 1 5 PHE H 1 5 PHE HB2 3.500 2.300 4.700 2.571 2.293 2.827 0.007 10 0 "[ . 1]" 1
20 1 5 PHE H 1 5 PHE HB3 3.500 2.300 4.700 3.065 2.849 3.444 . 0 0 "[ . 1]" 1
21 1 5 PHE H 1 5 PHE QD 3.500 2.300 4.700 4.020 3.158 4.355 . 0 0 "[ . 1]" 1
22 1 5 PHE H 1 11 ILE MD 4.500 2.900 6.100 5.300 4.830 5.833 . 0 0 "[ . 1]" 1
23 1 5 PHE H 1 12 ILE O 2.000 . 2.500 2.640 2.531 2.788 0.288 7 0 "[ . 1]" 1
24 1 5 PHE HA 1 6 ARG H 3.500 2.300 4.700 2.432 2.240 2.770 0.060 4 0 "[ . 1]" 1
25 1 5 PHE HB2 1 5 PHE QD 2.500 . 3.200 2.558 2.352 2.737 . 0 0 "[ . 1]" 1
26 1 5 PHE HB2 1 6 ARG H 3.500 2.300 4.700 4.530 4.280 4.667 . 0 0 "[ . 1]" 1
27 1 5 PHE HB3 1 5 PHE QD 2.500 . 3.200 2.357 2.305 2.492 . 0 0 "[ . 1]" 1
28 1 5 PHE HB3 1 6 ARG H 3.500 2.300 4.700 4.146 3.503 4.371 . 0 0 "[ . 1]" 1
29 1 5 PHE HB3 1 7 PHE QD 4.500 2.900 6.100 4.522 2.813 5.732 0.087 10 0 "[ . 1]" 1
30 1 5 PHE QD 1 10 LYS QE 3.500 2.300 4.700 4.772 4.717 4.846 0.146 1 0 "[ . 1]" 1
31 1 5 PHE QD 1 12 ILE HB 4.500 2.900 6.100 3.766 2.879 5.039 0.021 5 0 "[ . 1]" 1
32 1 5 PHE O 1 12 ILE H 2.000 . 2.500 2.636 2.187 2.803 0.303 8 0 "[ . 1]" 1
33 1 6 ARG H 1 6 ARG HA 3.500 2.300 4.700 2.894 2.846 2.960 . 0 0 "[ . 1]" 1
34 1 6 ARG H 1 6 ARG HB3 3.500 2.300 4.700 2.742 2.324 3.274 . 0 0 "[ . 1]" 1
35 1 6 ARG H 1 6 ARG HG3 4.500 2.900 6.100 4.256 3.614 4.588 . 0 0 "[ . 1]" 1
36 1 6 ARG H 1 7 PHE H 4.500 2.900 6.100 4.363 3.951 4.524 . 0 0 "[ . 1]" 1
37 1 6 ARG HA 1 6 ARG HB2 3.500 2.300 4.700 2.476 2.283 2.851 0.017 9 0 "[ . 1]" 1
38 1 6 ARG HA 1 6 ARG HB3 4.500 2.900 6.100 2.902 2.634 3.030 0.266 3 0 "[ . 1]" 1
39 1 6 ARG HA 1 7 PHE H 2.500 . 3.200 2.172 2.110 2.208 . 0 0 "[ . 1]" 1
40 1 6 ARG HA 1 12 ILE H 3.500 2.300 4.700 2.374 2.109 2.653 0.191 3 0 "[ . 1]" 1
41 1 6 ARG HB2 1 7 PHE H 3.500 2.300 4.700 4.055 3.027 4.535 . 0 0 "[ . 1]" 1
42 1 6 ARG HB2 1 13 PHE HB2 3.500 2.300 4.700 4.659 4.455 4.825 0.125 3 0 "[ . 1]" 1
43 1 6 ARG HB3 1 13 PHE HB2 4.500 2.900 6.100 5.684 4.326 6.255 0.155 8 0 "[ . 1]" 1
44 1 6 ARG QD 1 13 PHE QD 2.500 . 3.200 3.368 3.283 3.424 0.224 5 0 "[ . 1]" 1
45 1 6 ARG HG2 1 7 PHE QD 4.500 2.900 6.100 6.054 5.596 6.200 0.100 10 0 "[ . 1]" 1
46 1 7 PHE H 1 7 PHE HB2 2.500 . 3.200 2.370 2.251 2.552 . 0 0 "[ . 1]" 1
47 1 7 PHE H 1 7 PHE HB3 2.500 . 3.200 3.361 3.047 3.586 0.386 10 0 "[ . 1]" 1
48 1 7 PHE H 1 7 PHE QD 4.500 2.900 6.100 3.675 2.943 4.271 . 0 0 "[ . 1]" 1
49 1 7 PHE H 1 10 LYS H 3.500 2.300 4.700 4.278 3.873 4.707 0.007 8 0 "[ . 1]" 1
50 1 7 PHE H 1 10 LYS QB 4.500 2.900 6.100 3.447 3.010 4.664 . 0 0 "[ . 1]" 1
51 1 7 PHE H 1 10 LYS O 2.000 . 2.500 2.309 1.851 2.552 0.052 3 0 "[ . 1]" 1
52 1 7 PHE H 1 11 ILE HA 3.500 2.300 4.700 3.116 2.764 3.738 . 0 0 "[ . 1]" 1
53 1 7 PHE H 1 12 ILE H 4.500 2.900 6.100 3.225 2.899 3.704 0.001 2 0 "[ . 1]" 1
54 1 7 PHE HA 1 7 PHE HB2 2.500 . 3.200 2.896 2.729 2.992 . 0 0 "[ . 1]" 1
55 1 7 PHE HA 1 7 PHE HB3 3.500 2.300 4.700 2.757 2.594 2.949 . 0 0 "[ . 1]" 1
56 1 7 PHE HA 1 8 DPR HD2 2.500 . 3.200 2.387 2.337 2.556 . 0 0 "[ . 1]" 1
57 1 7 PHE HB2 1 7 PHE QD 2.500 . 3.200 2.340 2.300 2.434 . 0 0 "[ . 1]" 1
58 1 7 PHE HB2 1 10 LYS QB 3.500 2.300 4.700 2.747 2.297 3.814 0.003 2 0 "[ . 1]" 1
59 1 7 PHE HB2 1 12 ILE MD 3.500 2.300 4.700 4.639 3.933 4.950 0.250 6 0 "[ . 1]" 1
60 1 7 PHE HB3 1 7 PHE QD 2.500 2.300 3.200 2.580 2.404 2.755 . 0 0 "[ . 1]" 1
61 1 7 PHE HB3 1 10 LYS QB 3.500 2.300 4.700 2.822 2.265 4.438 0.035 7 0 "[ . 1]" 1
62 1 7 PHE QD 1 10 LYS QD 4.500 2.900 6.100 4.915 4.423 5.871 . 0 0 "[ . 1]" 1
63 1 7 PHE QD 1 12 ILE HB 4.500 2.900 6.100 4.645 3.569 5.961 . 0 0 "[ . 1]" 1
64 1 7 PHE QD 1 12 ILE MD 3.500 2.300 4.700 4.484 3.917 4.875 0.175 1 0 "[ . 1]" 1
65 1 7 PHE QD 1 12 ILE MG 3.500 2.300 4.700 4.417 3.433 4.983 0.283 9 0 "[ . 1]" 1
66 1 7 PHE O 1 10 LYS H 2.000 . 2.500 1.872 1.635 2.535 0.035 4 0 "[ . 1]" 1
67 1 8 DPR HA 1 8 DPR HD2 4.500 2.900 6.100 3.248 3.057 3.562 . 0 0 "[ . 1]" 1
68 1 8 DPR HA 1 9 PRO HD2 2.500 . 3.200 2.363 2.314 2.425 . 0 0 "[ . 1]" 1
69 1 8 DPR HA 1 9 PRO HD3 2.500 . 3.200 2.385 2.322 2.483 . 0 0 "[ . 1]" 1
70 1 8 DPR HA 1 10 LYS H 3.500 2.300 4.700 3.987 3.303 4.415 . 0 0 "[ . 1]" 1
71 1 9 PRO HA 1 9 PRO QG 4.500 2.900 6.100 3.315 2.880 3.502 0.020 4 0 "[ . 1]" 1
72 1 9 PRO HA 1 10 LYS H 2.500 . 3.200 3.449 3.373 3.522 0.322 8 0 "[ . 1]" 1
73 1 9 PRO QB 1 9 PRO HD2 4.500 2.900 6.100 3.375 2.958 3.544 . 0 0 "[ . 1]" 1
74 1 9 PRO QB 1 9 PRO HD3 2.500 . 3.200 3.111 2.922 3.504 0.304 4 0 "[ . 1]" 1
75 1 9 PRO QB 1 10 LYS H 4.500 2.900 6.100 3.144 2.882 3.563 0.018 5 0 "[ . 1]" 1
76 1 9 PRO HD2 1 9 PRO QG 3.500 2.300 4.700 2.217 2.207 2.241 0.093 6 0 "[ . 1]" 1
77 1 9 PRO HD2 1 10 LYS H 2.500 . 3.200 2.927 2.616 3.239 0.039 10 0 "[ . 1]" 1
78 1 9 PRO HD3 1 9 PRO QG 2.500 . 3.200 2.226 2.176 2.256 . 0 0 "[ . 1]" 1
79 1 9 PRO HD3 1 10 LYS H 4.500 2.900 6.100 3.969 3.809 4.168 . 0 0 "[ . 1]" 1
80 1 10 LYS H 1 10 LYS HA 2.500 . 3.200 2.922 2.874 2.960 . 0 0 "[ . 1]" 1
81 1 10 LYS H 1 10 LYS QB 2.500 . 3.200 2.402 2.215 3.320 0.120 10 0 "[ . 1]" 1
82 1 10 LYS H 1 10 LYS HG2 4.500 2.900 6.100 4.158 2.827 4.627 0.073 10 0 "[ . 1]" 1
83 1 10 LYS H 1 11 ILE H 3.500 2.300 4.700 4.495 4.172 4.615 . 0 0 "[ . 1]" 1
84 1 10 LYS HA 1 10 LYS QB 2.500 . 3.200 2.419 2.161 2.518 . 0 0 "[ . 1]" 1
85 1 10 LYS HA 1 10 LYS QD 4.500 2.900 6.100 3.966 3.434 4.377 . 0 0 "[ . 1]" 1
86 1 10 LYS HA 1 10 LYS HG2 3.500 2.300 4.700 2.713 2.329 3.626 . 0 0 "[ . 1]" 1
87 1 10 LYS HA 1 11 ILE H 2.500 . 3.200 2.240 2.122 2.353 . 0 0 "[ . 1]" 1
88 1 10 LYS QB 1 11 ILE H 2.500 2.300 3.200 3.252 3.156 3.383 0.183 5 0 "[ . 1]" 1
89 1 10 LYS QE 1 12 ILE MD 3.500 2.300 4.700 2.572 2.231 3.042 0.069 2 0 "[ . 1]" 1
90 1 10 LYS QE 1 12 ILE MG 3.500 2.300 4.700 3.800 2.269 4.822 0.122 2 0 "[ . 1]" 1
91 1 11 ILE H 1 11 ILE HA 2.500 . 3.200 2.951 2.942 2.958 . 0 0 "[ . 1]" 1
92 1 11 ILE H 1 11 ILE HB 2.500 . 3.200 2.956 2.231 3.212 0.012 1 0 "[ . 1]" 1
93 1 11 ILE H 1 11 ILE MD 4.500 2.900 6.100 4.286 4.247 4.356 . 0 0 "[ . 1]" 1
94 1 11 ILE H 1 11 ILE QG 3.500 2.300 4.700 4.005 3.192 4.182 . 0 0 "[ . 1]" 1
95 1 11 ILE H 1 12 ILE H 4.500 2.900 6.100 4.054 3.725 4.368 . 0 0 "[ . 1]" 1
96 1 11 ILE HA 1 11 ILE MD 2.500 . 3.200 2.151 2.081 2.356 . 0 0 "[ . 1]" 1
97 1 11 ILE HA 1 11 ILE MG 2.500 . 3.200 3.106 2.673 3.187 . 0 0 "[ . 1]" 1
98 1 11 ILE HA 1 12 ILE H 2.500 . 3.200 2.201 2.102 2.320 . 0 0 "[ . 1]" 1
99 1 11 ILE HB 1 11 ILE MD 2.500 . 3.200 2.459 2.241 3.205 0.005 5 0 "[ . 1]" 1
100 1 11 ILE HB 1 11 ILE QG 3.500 2.300 4.700 2.342 2.188 2.396 0.112 10 0 "[ . 1]" 1
101 1 11 ILE MD 1 11 ILE MG 2.500 . 3.200 2.956 1.783 3.241 0.041 3 0 "[ . 1]" 1
102 1 11 ILE MD 1 12 ILE H 2.500 . 3.200 2.911 2.242 3.285 0.085 10 0 "[ . 1]" 1
103 1 11 ILE MD 1 13 PHE QD 2.500 . 3.200 2.266 2.059 2.645 . 0 0 "[ . 1]" 1
104 1 11 ILE QG 1 11 ILE MG 2.500 . 3.200 2.139 2.056 2.479 . 0 0 "[ . 1]" 1
105 1 12 ILE H 1 12 ILE HA 2.500 . 3.200 2.947 2.922 2.971 . 0 0 "[ . 1]" 1
106 1 12 ILE H 1 12 ILE HB 2.500 . 3.200 2.803 2.424 3.308 0.108 6 0 "[ . 1]" 1
107 1 12 ILE H 1 12 ILE MD 4.500 2.900 6.100 3.974 3.339 4.578 . 0 0 "[ . 1]" 1
108 1 12 ILE H 1 12 ILE QG 3.500 2.900 4.700 3.191 2.690 4.133 0.210 10 0 "[ . 1]" 1
109 1 12 ILE H 1 12 ILE MG 3.500 2.300 4.700 3.320 2.120 3.911 0.180 6 0 "[ . 1]" 1
110 1 12 ILE H 1 13 PHE H 4.500 2.900 6.100 3.216 2.831 3.653 0.069 5 0 "[ . 1]" 1
111 1 12 ILE HA 1 12 ILE MG 2.500 . 3.200 2.596 2.273 3.215 0.015 7 0 "[ . 1]" 1
112 1 12 ILE HA 1 13 PHE H 2.500 . 3.200 2.472 2.255 2.701 . 0 0 "[ . 1]" 1
113 1 12 ILE HB 1 12 ILE QG 2.500 . 3.200 2.278 2.188 2.409 . 0 0 "[ . 1]" 1
114 1 12 ILE HB 1 13 PHE H 3.500 2.900 4.700 4.450 4.240 4.602 . 0 0 "[ . 1]" 1
115 1 12 ILE MD 1 14 ASN HB3 3.500 2.300 4.700 4.808 4.711 4.894 0.194 10 0 "[ . 1]" 1
116 1 12 ILE QG 1 12 ILE MG 2.500 2.300 3.200 2.327 2.198 2.482 0.102 3 0 "[ . 1]" 1
117 1 12 ILE MG 1 13 PHE H 3.500 2.300 4.700 3.942 3.616 4.159 . 0 0 "[ . 1]" 1
118 1 13 PHE H 1 13 PHE HA 2.500 . 3.200 2.891 2.818 2.949 . 0 0 "[ . 1]" 1
119 1 13 PHE H 1 13 PHE HB2 3.500 2.300 4.700 2.992 2.217 3.929 0.083 9 0 "[ . 1]" 1
120 1 13 PHE H 1 13 PHE HB3 2.500 . 3.200 2.817 2.519 2.970 . 0 0 "[ . 1]" 1
121 1 13 PHE H 1 13 PHE QD 4.500 2.900 6.100 3.629 2.792 4.096 0.108 7 0 "[ . 1]" 1
122 1 13 PHE HA 1 13 PHE HB2 2.500 . 3.200 2.504 2.247 2.689 . 0 0 "[ . 1]" 1
123 1 13 PHE HA 1 13 PHE HB3 2.500 . 3.200 2.822 2.495 3.003 . 0 0 "[ . 1]" 1
124 1 13 PHE HB2 1 13 PHE QD 2.500 . 3.200 2.458 2.299 2.601 . 0 0 "[ . 1]" 1
125 1 13 PHE HB3 1 13 PHE QD 2.500 . 3.200 2.427 2.307 2.684 . 0 0 "[ . 1]" 1
126 1 14 ASN H 1 14 ASN HA 4.500 2.900 6.100 2.846 2.729 2.948 0.171 1 0 "[ . 1]" 1
127 1 14 ASN HB2 1 14 ASN QD 4.500 2.900 6.100 3.072 2.823 3.385 0.077 1 0 "[ . 1]" 1
128 1 16 ARG H 1 16 ARG HA 3.500 2.300 4.700 2.751 2.320 2.950 . 0 0 "[ . 1]" 1
129 1 16 ARG HA 1 16 ARG HB2 3.500 2.300 4.700 2.591 2.282 2.955 0.018 9 0 "[ . 1]" 1
130 1 16 ARG HA 1 16 ARG HB3 2.500 . 3.200 2.521 2.246 2.970 . 0 0 "[ . 1]" 1
131 1 16 ARG HA 1 16 ARG QD 4.500 2.900 6.100 4.288 3.824 4.577 . 0 0 "[ . 1]" 1
132 1 16 ARG HA 1 16 ARG QG 4.500 2.900 6.100 2.990 2.769 3.342 0.131 8 0 "[ . 1]" 1
stop_
save_
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