Project name: (G4S)9

Status: done

Started: 2026-01-16 13:17:02
Settings
Chain sequence(s) A: GGGGSGGGGSGGGGSGGGGSGGGGSGGGGSGGGGSGGGGSGGGGS
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:04)
Show buried residues

Minimal score value
-1.2258
Maximal score value
-0.5965
Average score
-1.1169
Total score value
-50.2598

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
1 G A -0.8445
2 G A -1.0671
3 G A -1.1354
4 G A -1.1420
5 S A -1.0357
6 G A -1.1466
7 G A -1.1718
8 G A -1.1741
9 G A -1.1475
10 S A -1.0646
11 G A -1.1496
12 G A -1.1875
13 G A -1.1915
14 G A -1.1377
15 S A -0.9555
16 G A -1.1226
17 G A -1.1571
18 G A -1.1392
19 G A -1.1350
20 S A -1.0046
21 G A -1.1341
22 G A -1.1750
23 G A -1.1657
24 G A -1.1906
25 S A -1.0112
26 G A -1.2250
27 G A -1.2070
28 G A -1.2258
29 G A -1.1858
30 S A -1.0370
31 G A -1.2006
32 G A -1.2069
33 G A -1.2089
34 G A -1.1811
35 S A -1.0297
36 G A -1.1785
37 G A -1.1998
38 G A -1.1912
39 G A -1.1711
40 S A -1.0269
41 G A -1.1434
42 G A -1.1793
43 G A -1.1112
44 G A -0.9679
45 S A -0.5965
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Laboratory of Theory of Biopolymers 2018