Project name: 311776d806b0f73

Status: done

Started: 2024-06-18 14:06:05
Settings
Chain sequence(s) A: QRLANFLVHHSGNNFGAILSSTNVGSNTY
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:07)
Show buried residues

Minimal score value
-1.8907
Maximal score value
2.5716
Average score
0.0965
Total score value
2.7029

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan3D score mutation
residue index residue name chain Aggrescan3D score
mutation
10 Q A -1.7341
11 R A -1.6602
12 L A 0.1208
13 A A 0.2378
14 N A 0.3934
15 F A 2.5716
16 L A 2.5709
17 V A 2.2122
18 H A -0.4068
19 S A -1.1839
20 G A -1.7165
21 N A -1.8907
22 N A -1.1005
23 F A 0.9018
24 G A 0.1191
25 A A 0.6308
26 I A 1.5166
27 L A 2.1791
28 S A 0.6523
29 S A -0.1928
30 T A -0.2439
31 N A -0.6254
32 V A 0.6723
33 G A -0.4218
34 S A -0.7079
35 N A -1.0264
36 T A -0.1634
37 Y A 0.9985
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Laboratory of Theory of Biopolymers 2018