NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
525748 |
2lkw   |
18014 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lkw
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 155
_Distance_constraint_stats_list.Viol_count 372
_Distance_constraint_stats_list.Viol_total 970.217
_Distance_constraint_stats_list.Viol_max 0.979
_Distance_constraint_stats_list.Viol_rms 0.1480
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0626
_Distance_constraint_stats_list.Viol_average_violations_only 0.2608
_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 GLY 2.463 0.310 9 0 "[ . 1]"
1 3 GLN 2.472 0.310 9 0 "[ . 1]"
1 4 ARG 3.166 0.701 4 3 "[ +.*- 1]"
1 5 HIS 2.774 0.267 7 0 "[ . 1]"
1 6 SER 3.908 0.406 10 0 "[ . 1]"
1 7 ILE 22.101 0.470 7 0 "[ . 1]"
1 8 VAL 8.076 0.582 5 1 "[ + 1]"
1 9 GLN 4.014 0.582 5 1 "[ + 1]"
1 10 PRO 4.794 0.476 8 0 "[ . 1]"
1 11 PRO 5.380 0.476 8 0 "[ . 1]"
1 12 ALA 7.998 0.749 8 10 [*******+-*]
1 13 PRO 10.029 0.749 8 10 [*******+-*]
1 14 PRO 1.632 0.165 4 0 "[ . 1]"
1 15 PRO 2.912 0.292 10 0 "[ . 1]"
1 16 ASN 4.905 0.362 6 0 "[ . 1]"
1 17 ALA 2.797 0.561 1 1 "[+ . 1]"
1 18 PHE 10.708 0.701 10 5 "[- *.* * +]"
1 19 VAL 19.651 0.801 9 10 [-*******+*]
1 20 GLU 7.995 0.979 7 10 [**-***+***]
1 21 ILE 4.708 0.494 1 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 GLY H 1 2 GLY QA 2.750 2.200 3.500 2.372 2.216 2.510 . 0 0 "[ . 1]" 1
2 1 2 GLY QA 1 3 GLN H 3.750 3.070 4.550 2.824 2.760 2.922 0.310 9 0 "[ . 1]" 1
3 1 3 GLN H 1 3 GLN HA 3.500 2.900 4.500 2.938 2.893 2.959 0.007 2 0 "[ . 1]" 1
4 1 3 GLN H 1 3 GLN HB3 3.500 2.900 4.500 3.696 3.525 3.886 . 0 0 "[ . 1]" 1
5 1 3 GLN HA 1 3 GLN HB2 3.500 2.900 4.500 3.014 2.963 3.029 . 0 0 "[ . 1]" 1
6 1 3 GLN HA 1 3 GLN HB3 3.000 2.400 3.750 2.493 2.399 2.705 0.001 2 0 "[ . 1]" 1
7 1 3 GLN HA 1 4 ARG H 3.500 2.900 4.250 3.355 2.967 3.572 . 0 0 "[ . 1]" 1
8 1 3 GLN HB2 1 3 GLN QG 2.250 . 3.000 2.220 2.168 2.326 . 0 0 "[ . 1]" 1
9 1 4 ARG H 1 4 ARG HA 2.500 . 3.250 2.470 2.325 2.678 . 0 0 "[ . 1]" 1
10 1 4 ARG H 1 4 ARG QG 5.000 4.250 6.500 3.969 3.549 4.340 0.701 4 3 "[ +.*- 1]" 1
11 1 4 ARG HA 1 5 HIS H 2.750 2.200 3.500 2.748 2.222 3.517 0.017 5 0 "[ . 1]" 1
12 1 4 ARG QD 1 4 ARG HE 2.500 . 3.250 2.370 2.228 2.498 . 0 0 "[ . 1]" 1
13 1 5 HIS H 1 5 HIS HA 3.000 2.400 3.750 2.723 2.362 2.956 0.038 7 0 "[ . 1]" 1
14 1 5 HIS H 1 5 HIS HB2 3.500 2.900 4.500 3.236 2.910 3.815 . 0 0 "[ . 1]" 1
15 1 5 HIS H 1 5 HIS HB3 3.500 2.900 4.500 3.404 2.899 3.932 0.001 8 0 "[ . 1]" 1
16 1 5 HIS H 1 6 SER H 4.000 3.250 4.850 3.890 3.250 4.464 . 0 0 "[ . 1]" 1
17 1 5 HIS HA 1 5 HIS HB3 2.500 2.200 3.250 2.611 2.240 3.028 . 0 0 "[ . 1]" 1
18 1 5 HIS HA 1 6 SER H 3.000 2.400 3.750 2.731 2.417 3.575 . 0 0 "[ . 1]" 1
19 1 5 HIS HB2 1 5 HIS HD1 4.000 3.250 5.000 2.985 2.983 2.987 0.267 7 0 "[ . 1]" 1
20 1 6 SER H 1 6 SER HA 3.250 2.650 4.130 2.894 2.799 2.958 . 0 0 "[ . 1]" 1
21 1 6 SER H 1 6 SER HB3 1.850 . 2.600 2.466 2.064 2.863 0.263 5 0 "[ . 1]" 1
22 1 6 SER HA 1 6 SER HB3 1.850 . 2.600 2.648 2.382 2.822 0.222 6 0 "[ . 1]" 1
23 1 6 SER HA 1 7 ILE H 2.500 . 3.250 2.500 2.140 3.371 0.121 8 0 "[ . 1]" 1
24 1 6 SER HB3 1 7 ILE H 3.500 2.900 4.250 4.461 3.859 4.656 0.406 10 0 "[ . 1]" 1
25 1 7 ILE H 1 7 ILE HA 2.500 2.200 3.250 2.557 2.547 2.565 . 0 0 "[ . 1]" 1
26 1 7 ILE H 1 7 ILE HB 2.000 . 2.750 3.168 3.142 3.192 0.442 2 0 "[ . 1]" 1
27 1 7 ILE H 1 7 ILE MD 5.000 4.250 6.000 4.318 4.271 4.365 . 0 0 "[ . 1]" 1
28 1 7 ILE H 1 7 ILE HG12 3.500 2.900 4.500 3.983 3.935 4.035 . 0 0 "[ . 1]" 1
29 1 7 ILE H 1 7 ILE MG 2.750 2.200 3.500 1.739 1.730 1.748 0.470 7 0 "[ . 1]" 1
30 1 7 ILE HA 1 7 ILE HB 2.000 . 2.750 2.221 2.219 2.224 . 0 0 "[ . 1]" 1
31 1 7 ILE HA 1 7 ILE MD 5.000 4.250 6.250 3.947 3.903 3.985 0.347 5 0 "[ . 1]" 1
32 1 7 ILE HA 1 7 ILE HG12 5.000 4.250 6.250 3.804 3.795 3.814 0.455 6 0 "[ . 1]" 1
33 1 7 ILE HA 1 7 ILE MG 2.250 . 3.000 2.909 2.890 2.927 . 0 0 "[ . 1]" 1
34 1 7 ILE HA 1 8 VAL H 2.500 . 3.250 2.864 2.162 3.574 0.324 6 0 "[ . 1]" 1
35 1 7 ILE HB 1 7 ILE MD 3.000 2.400 3.750 2.259 2.155 2.351 0.245 5 0 "[ . 1]" 1
36 1 7 ILE HB 1 7 ILE HG12 3.500 2.900 4.500 3.045 3.042 3.048 . 0 0 "[ . 1]" 1
37 1 7 ILE HB 1 7 ILE MG 2.000 . 2.750 2.125 2.124 2.127 . 0 0 "[ . 1]" 1
38 1 7 ILE HB 1 8 VAL H 4.750 4.000 5.600 3.987 3.959 4.049 0.041 10 0 "[ . 1]" 1
39 1 7 ILE MD 1 7 ILE HG12 1.850 . 2.600 2.131 2.110 2.148 . 0 0 "[ . 1]" 1
40 1 7 ILE HG12 1 7 ILE MG 2.000 . 2.750 2.338 2.324 2.353 . 0 0 "[ . 1]" 1
41 1 8 VAL H 1 8 VAL HA 3.000 2.400 3.750 2.866 2.747 2.941 . 0 0 "[ . 1]" 1
42 1 8 VAL H 1 8 VAL HB 2.500 . 3.250 3.487 3.447 3.513 0.263 5 0 "[ . 1]" 1
43 1 8 VAL H 1 8 VAL MG1 2.750 2.200 3.500 2.944 2.728 3.124 . 0 0 "[ . 1]" 1
44 1 8 VAL H 1 8 VAL MG2 2.500 . 3.250 1.691 1.661 1.746 0.339 6 0 "[ . 1]" 1
45 1 8 VAL HA 1 8 VAL HB 2.500 . 3.250 2.690 2.653 2.772 . 0 0 "[ . 1]" 1
46 1 8 VAL HA 1 8 VAL MG1 2.500 . 3.250 2.149 2.119 2.197 . 0 0 "[ . 1]" 1
47 1 8 VAL HA 1 8 VAL MG2 3.500 2.900 4.500 3.107 3.041 3.131 . 0 0 "[ . 1]" 1
48 1 8 VAL HA 1 9 GLN H 2.250 . 2.870 2.503 2.256 3.014 0.144 5 0 "[ . 1]" 1
49 1 8 VAL HB 1 8 VAL MG1 1.700 . 2.450 2.140 2.119 2.151 . 0 0 "[ . 1]" 1
50 1 8 VAL HB 1 8 VAL MG2 1.850 . 2.600 2.141 2.125 2.153 . 0 0 "[ . 1]" 1
51 1 8 VAL HB 1 9 GLN H 4.750 4.000 5.600 4.235 4.043 4.349 . 0 0 "[ . 1]" 1
52 1 8 VAL MG1 1 9 GLN H 4.000 3.250 4.850 4.184 4.017 4.385 . 0 0 "[ . 1]" 1
53 1 8 VAL MG2 1 9 GLN H 4.750 4.000 5.600 4.102 3.418 4.339 0.582 5 1 "[ + 1]" 1
54 1 9 GLN H 1 9 GLN HB2 3.000 2.400 3.750 2.665 2.550 2.719 . 0 0 "[ . 1]" 1
55 1 9 GLN H 1 9 GLN HB3 3.250 2.650 4.130 3.813 3.738 3.849 . 0 0 "[ . 1]" 1
56 1 9 GLN H 1 9 GLN QG 3.750 3.070 4.750 2.988 2.871 3.265 0.199 3 0 "[ . 1]" 1
57 1 9 GLN HA 1 9 GLN HB3 2.750 2.200 3.500 2.502 2.462 2.591 . 0 0 "[ . 1]" 1
58 1 9 GLN HA 1 9 GLN QG 3.500 2.900 4.500 2.707 2.568 2.859 0.332 7 0 "[ . 1]" 1
59 1 9 GLN HA 1 10 PRO HD2 3.000 2.400 3.750 2.613 2.540 2.692 . 0 0 "[ . 1]" 1
60 1 9 GLN HA 1 10 PRO HD3 3.000 2.400 3.750 2.392 2.372 2.442 0.028 8 0 "[ . 1]" 1
61 1 9 GLN HA 1 10 PRO QG 4.750 4.000 5.600 4.112 4.080 4.161 . 0 0 "[ . 1]" 1
62 1 9 GLN HB2 1 9 GLN QG 2.000 . 2.750 2.195 2.186 2.201 . 0 0 "[ . 1]" 1
63 1 9 GLN HB3 1 9 GLN QG 2.000 . 2.750 2.441 2.401 2.485 . 0 0 "[ . 1]" 1
64 1 9 GLN HB3 1 10 PRO HD3 4.750 4.000 5.600 4.617 4.606 4.631 . 0 0 "[ . 1]" 1
65 1 10 PRO HA 1 10 PRO HB2 2.500 . 3.250 2.970 2.960 2.981 . 0 0 "[ . 1]" 1
66 1 10 PRO HA 1 10 PRO HB3 2.100 . 2.850 2.300 2.294 2.309 . 0 0 "[ . 1]" 1
67 1 10 PRO HA 1 10 PRO QG 2.500 . 3.250 2.981 2.935 3.017 . 0 0 "[ . 1]" 1
68 1 10 PRO HA 1 11 PRO HD2 2.500 . 3.050 2.349 2.346 2.353 . 0 0 "[ . 1]" 1
69 1 10 PRO HA 1 11 PRO HD3 2.500 . 3.050 2.189 2.186 2.191 . 0 0 "[ . 1]" 1
70 1 10 PRO HB2 1 10 PRO HD2 2.500 . 3.250 2.873 2.861 2.886 . 0 0 "[ . 1]" 1
71 1 10 PRO HB2 1 10 PRO HD3 3.500 2.900 4.500 3.870 3.856 3.882 . 0 0 "[ . 1]" 1
72 1 10 PRO HB2 1 10 PRO QG 1.700 . 2.450 2.233 2.229 2.238 . 0 0 "[ . 1]" 1
73 1 10 PRO HB3 1 10 PRO HD2 3.250 2.650 4.130 3.821 3.818 3.824 . 0 0 "[ . 1]" 1
74 1 10 PRO HB3 1 10 PRO HD3 4.000 3.250 5.000 4.056 4.052 4.058 . 0 0 "[ . 1]" 1
75 1 10 PRO HB3 1 10 PRO QG 2.500 . 3.250 2.160 2.159 2.161 . 0 0 "[ . 1]" 1
76 1 10 PRO HB3 1 11 PRO HD2 4.750 4.000 5.600 3.533 3.524 3.540 0.476 8 0 "[ . 1]" 1
77 1 10 PRO HD2 1 10 PRO QG 1.700 . 2.450 2.258 2.255 2.260 . 0 0 "[ . 1]" 1
78 1 10 PRO HD3 1 10 PRO QG 2.000 . 2.750 2.204 2.203 2.206 . 0 0 "[ . 1]" 1
79 1 11 PRO HA 1 11 PRO HB3 2.100 . 2.850 2.357 2.356 2.358 . 0 0 "[ . 1]" 1
80 1 11 PRO HA 1 11 PRO HD2 4.000 3.250 5.000 4.074 4.072 4.075 . 0 0 "[ . 1]" 1
81 1 11 PRO HA 1 11 PRO HD3 4.000 3.250 5.000 3.857 3.855 3.859 . 0 0 "[ . 1]" 1
82 1 11 PRO HA 1 11 PRO QG 3.500 2.900 4.500 3.505 3.505 3.507 . 0 0 "[ . 1]" 1
83 1 11 PRO HA 1 12 ALA H 2.500 . 3.250 2.200 2.199 2.202 . 0 0 "[ . 1]" 1
84 1 11 PRO HA 1 12 ALA MB 4.000 3.250 4.850 3.994 3.979 4.044 . 0 0 "[ . 1]" 1
85 1 11 PRO HB2 1 11 PRO HD2 3.500 2.900 4.500 4.036 4.035 4.037 . 0 0 "[ . 1]" 1
86 1 11 PRO HB2 1 12 ALA H 4.380 3.630 5.230 3.626 3.624 3.628 0.006 4 0 "[ . 1]" 1
87 1 11 PRO HB3 1 11 PRO HD3 3.500 2.900 4.500 3.069 3.068 3.071 . 0 0 "[ . 1]" 1
88 1 11 PRO HB3 1 11 PRO QG 1.700 . 2.450 2.241 2.240 2.242 . 0 0 "[ . 1]" 1
89 1 11 PRO HB3 1 12 ALA H 4.000 3.250 4.850 4.230 4.228 4.231 . 0 0 "[ . 1]" 1
90 1 11 PRO HD3 1 11 PRO QG 1.850 . 2.600 2.239 2.239 2.240 . 0 0 "[ . 1]" 1
91 1 11 PRO QG 1 12 ALA H 4.000 3.250 4.850 4.556 4.553 4.557 . 0 0 "[ . 1]" 1
92 1 11 PRO QG 1 12 ALA HA 3.750 3.070 4.550 4.617 4.614 4.619 0.069 2 0 "[ . 1]" 1
93 1 12 ALA H 1 12 ALA HA 2.500 . 3.250 2.925 2.923 2.926 . 0 0 "[ . 1]" 1
94 1 12 ALA H 1 12 ALA MB 1.700 . 2.450 2.169 2.153 2.232 . 0 0 "[ . 1]" 1
95 1 12 ALA HA 1 12 ALA MB 1.700 . 2.450 2.108 2.103 2.132 . 0 0 "[ . 1]" 1
96 1 12 ALA HA 1 13 PRO QD 2.500 . 3.050 1.987 1.984 1.988 . 0 0 "[ . 1]" 1
97 1 12 ALA MB 1 13 PRO QD 4.380 3.630 4.550 2.901 2.881 2.929 0.749 8 10 [*******+-*] 1
98 1 13 PRO HA 1 13 PRO QB 3.000 2.400 3.250 2.192 2.190 2.193 0.210 8 0 "[ . 1]" 1
99 1 13 PRO HA 1 13 PRO QG 4.000 3.250 5.000 3.517 3.515 3.518 . 0 0 "[ . 1]" 1
100 1 13 PRO HA 1 14 PRO QD 2.500 . 3.050 1.995 1.994 1.996 . 0 0 "[ . 1]" 1
101 1 13 PRO QB 1 13 PRO QG 2.500 . 2.750 1.934 1.934 1.935 0.066 9 0 "[ . 1]" 1
102 1 13 PRO QD 1 13 PRO QG 1.700 . 2.450 1.954 1.954 1.954 . 0 0 "[ . 1]" 1
103 1 14 PRO HA 1 14 PRO QB 2.250 . 2.850 2.252 2.251 2.252 . 0 0 "[ . 1]" 1
104 1 14 PRO HA 1 14 PRO QG 1.850 . 2.600 2.763 2.762 2.765 0.165 4 0 "[ . 1]" 1
105 1 14 PRO HA 1 15 PRO QD 2.500 . 3.050 2.015 2.014 2.016 . 0 0 "[ . 1]" 1
106 1 15 PRO HA 1 15 PRO QB 2.000 . 2.450 2.189 2.188 2.190 . 0 0 "[ . 1]" 1
107 1 15 PRO HA 1 15 PRO QD 3.500 2.900 4.500 3.508 3.507 3.512 . 0 0 "[ . 1]" 1
108 1 15 PRO HA 1 15 PRO QG 3.000 2.400 3.750 3.526 3.525 3.527 . 0 0 "[ . 1]" 1
109 1 15 PRO HA 1 16 ASN H 2.500 . 3.250 2.270 2.179 2.396 . 0 0 "[ . 1]" 1
110 1 15 PRO HA 1 16 ASN QB 4.750 4.000 5.600 4.271 4.097 4.664 . 0 0 "[ . 1]" 1
111 1 15 PRO QD 1 15 PRO QG . 2.250 2.450 1.959 1.958 1.959 0.292 10 0 "[ . 1]" 1
112 1 15 PRO QG 1 16 ASN H 4.000 3.250 4.850 4.468 4.211 4.681 . 0 0 "[ . 1]" 1
113 1 16 ASN H 1 16 ASN HA 1.850 . 2.600 2.824 2.784 2.856 0.256 1 0 "[ . 1]" 1
114 1 16 ASN H 1 16 ASN QB 1.850 . 2.600 2.278 2.154 2.543 . 0 0 "[ . 1]" 1
115 1 16 ASN H 1 17 ALA H 4.000 3.250 4.850 4.643 4.628 4.660 . 0 0 "[ . 1]" 1
116 1 16 ASN HA 1 16 ASN QB 1.700 . 2.450 2.269 2.171 2.357 . 0 0 "[ . 1]" 1
117 1 16 ASN HA 1 17 ALA H 3.000 2.400 3.750 2.370 2.313 2.416 0.087 6 0 "[ . 1]" 1
118 1 16 ASN QB 1 16 ASN HD21 3.000 2.400 3.750 2.383 2.211 2.725 0.189 3 0 "[ . 1]" 1
119 1 16 ASN QB 1 16 ASN HD22 3.000 2.400 3.750 3.349 3.275 3.470 . 0 0 "[ . 1]" 1
120 1 16 ASN QB 1 17 ALA H 3.750 3.070 4.550 3.065 2.708 3.435 0.362 6 0 "[ . 1]" 1
121 1 17 ALA H 1 17 ALA HA 2.500 . 3.250 2.944 2.915 2.960 . 0 0 "[ . 1]" 1
122 1 17 ALA H 1 17 ALA MB 2.000 . 2.750 2.385 2.130 2.532 . 0 0 "[ . 1]" 1
123 1 17 ALA H 1 19 VAL H 4.750 4.000 5.600 5.207 4.540 5.821 0.221 4 0 "[ . 1]" 1
124 1 17 ALA HA 1 17 ALA MB 1.700 . 2.450 2.119 2.102 2.141 . 0 0 "[ . 1]" 1
125 1 17 ALA HA 1 18 PHE H 3.000 2.400 3.750 2.713 2.354 3.196 0.046 1 0 "[ . 1]" 1
126 1 17 ALA MB 1 18 PHE H 4.000 3.250 4.850 3.519 2.689 3.722 0.561 1 1 "[+ . 1]" 1
127 1 18 PHE H 1 18 PHE HA 2.000 . 2.750 2.708 2.346 2.960 0.210 3 0 "[ . 1]" 1
128 1 18 PHE H 1 18 PHE QB 3.500 2.900 3.500 2.744 2.240 3.275 0.660 8 3 "[ -.* + 1]" 1
129 1 18 PHE H 1 19 VAL H 4.380 3.630 5.230 3.899 3.652 4.298 . 0 0 "[ . 1]" 1
130 1 18 PHE HA 1 18 PHE QD 3.000 2.400 3.750 2.756 2.222 3.548 0.178 9 0 "[ . 1]" 1
131 1 18 PHE HA 1 19 VAL H 2.750 2.200 3.500 2.288 2.197 2.391 0.003 1 0 "[ . 1]" 1
132 1 18 PHE HA 1 19 VAL QG 4.750 4.000 5.600 3.606 3.299 3.828 0.701 10 2 "[- . +]" 1
133 1 18 PHE QB 1 18 PHE QD 2.750 2.200 3.250 2.166 2.148 2.213 0.052 3 0 "[ . 1]" 1
134 1 18 PHE QB 1 19 VAL H 4.750 4.000 5.600 3.792 3.628 3.998 0.372 1 0 "[ . 1]" 1
135 1 19 VAL H 1 19 VAL HA 2.500 . 3.250 2.626 2.296 2.957 . 0 0 "[ . 1]" 1
136 1 19 VAL H 1 19 VAL HB 3.500 2.900 4.500 3.205 2.904 3.622 . 0 0 "[ . 1]" 1
137 1 19 VAL H 1 20 GLU H 4.000 3.250 4.850 3.486 3.250 3.747 0.000 1 0 "[ . 1]" 1
138 1 19 VAL HA 1 19 VAL HB 2.250 . 3.000 3.017 2.998 3.028 0.028 7 0 "[ . 1]" 1
139 1 19 VAL HA 1 19 VAL QG 2.750 2.650 3.500 2.055 2.018 2.118 0.632 3 10 [**+**-****] 1
140 1 19 VAL HA 1 20 GLU H 2.750 2.200 3.500 2.311 2.213 2.367 . 0 0 "[ . 1]" 1
141 1 19 VAL HB 1 19 VAL QG 2.000 . 2.750 1.905 1.891 1.913 0.109 2 0 "[ . 1]" 1
142 1 19 VAL HB 1 20 GLU H 4.000 3.250 4.850 4.444 4.363 4.527 . 0 0 "[ . 1]" 1
143 1 19 VAL QG 1 20 GLU H 4.750 4.000 5.600 3.387 3.199 3.466 0.801 9 10 [**-*****+*] 1
144 1 20 GLU H 1 20 GLU HA 2.500 . 3.250 2.816 2.295 2.959 . 0 0 "[ . 1]" 1
145 1 20 GLU H 1 20 GLU HB2 4.000 3.250 5.000 3.550 3.025 3.754 0.225 1 0 "[ . 1]" 1
146 1 20 GLU H 1 20 GLU HB3 3.000 2.400 3.750 3.018 2.610 3.609 . 0 0 "[ . 1]" 1
147 1 20 GLU HA 1 20 GLU HB3 2.500 . 3.250 2.469 2.300 3.035 . 0 0 "[ . 1]" 1
148 1 20 GLU HA 1 20 GLU QG 4.000 3.250 5.000 3.182 2.271 3.500 0.979 7 2 "[- . + 1]" 1
149 1 20 GLU HA 1 21 ILE H 3.000 2.400 3.750 2.961 2.408 3.575 . 0 0 "[ . 1]" 1
150 1 20 GLU HB3 1 20 GLU QG 2.500 . 3.250 2.271 2.169 2.514 . 0 0 "[ . 1]" 1
151 1 21 ILE H 1 21 ILE HA 2.250 . 3.000 2.790 2.296 2.961 . 0 0 "[ . 1]" 1
152 1 21 ILE H 1 21 ILE HB 3.750 3.070 4.750 3.491 3.171 3.795 . 0 0 "[ . 1]" 1
153 1 21 ILE HA 1 21 ILE HB 3.000 2.400 4.000 2.640 2.443 3.015 . 0 0 "[ . 1]" 1
154 1 21 ILE HB 1 21 ILE MD 3.500 2.900 4.500 2.429 2.406 2.444 0.494 1 0 "[ . 1]" 1
155 1 21 ILE HB 1 21 ILE MG 2.500 . 3.250 2.135 2.114 2.150 . 0 0 "[ . 1]" 1
stop_
save_
Contact the webmaster for help, if required. Thursday, May 23, 2024 11:07:08 PM GMT (wattos1)