Project name: FGGHKGF2

Status: done

Started: 2026-02-13 14:08:01
Settings
Chain sequence(s) A: FGGHKGF
B: FGGHKGF
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                                          (00:00:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:24)
Show buried residues

Minimal score value
-2.1536
Maximal score value
2.0896
Average score
-0.2466
Total score value
-3.4519

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 1.3933
2 G A -1.0838
3 G A -1.8338
4 H A -2.1536
5 K A -1.5776
6 G A 0.4140
7 F A 1.8464
1 F B 1.2012
2 G B -0.7688
3 G B -1.6854
4 H B -1.8065
5 K B -1.2198
6 G B 1.7329
7 F B 2.0896
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Laboratory of Theory of Biopolymers 2018