Project name: FFGHKGF2

Status: done

Started: 2026-05-21 14:49:10
Settings
Chain sequence(s) A: FFGHKGF
B: FFGHKGF
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]                                                (00:00:00)
[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 all 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
-1.9716
Maximal score value
3.3956
Average score
0.5786
Total score value
8.1003

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 3.1590
2 F A 1.8818
3 G A 0.0666
4 H A -1.7805
5 K A -1.9716
6 G A -0.5501
7 F A 1.4046
1 F B 3.3956
2 F B 2.9064
3 G B 0.9998
4 H B -0.1755
5 K B -1.3953
6 G B -1.0050
7 F B 1.1645
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Laboratory of Theory of Biopolymers 2018