Project name: FFKGHGF2

Status: done

Started: 2026-05-19 10:12:55
Settings
Chain sequence(s) A: FFKGHGF
B: FFKGHGF
input PDB
Selected Chain(s) A,B
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 all 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                                          (00:00:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:12)
Show buried residues

Minimal score value
-0.9435
Maximal score value
3.2306
Average score
0.8843
Total score value
12.3796

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 F A 3.2140
2 F A 2.1444
3 K A -0.4726
4 G A -0.7481
5 H A -0.9435
6 G A 0.0000
7 F A 2.3899
1 F B 3.2306
2 F B 2.5293
3 K B 0.0102
4 G B -0.3297
5 H B -0.4931
6 G B -0.7770
7 F B 2.6252
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Laboratory of Theory of Biopolymers 2018