Project name: FQKGHQF2

Status: done

Started: 2026-05-21 08:34:48
Settings
Chain sequence(s) A: FQKGHQF
B: FQKGHQF
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                                          (00:00:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:20)
Show buried residues

Minimal score value
-2.415
Maximal score value
1.2155
Average score
-0.9675
Total score value
-13.5446

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 0.9524
2 Q A -1.6104
3 K A -2.4150
4 G A -1.7211
5 H A -2.1667
6 Q A -1.1436
7 F A 0.8257
1 F B 1.0995
2 Q B -1.4386
3 K B -1.8348
4 G B -2.1293
5 H B -2.2428
6 Q B -0.9354
7 F B 1.2155
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Laboratory of Theory of Biopolymers 2018