Project name: 3d919984b9b9943

Status: done

Started: 2026-05-20 11:12:29
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]                                                (00:00:00)
[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                                          (00:00:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:14)
Show buried residues

Minimal score value
-1.9033
Maximal score value
3.1582
Average score
0.3637
Total score value
5.0924

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 2.9086
2 F A 1.3036
3 K A -1.2748
4 G A -1.7487
5 H A -1.2936
6 G A 0.3508
7 F A 2.0707
1 F B 3.1582
2 F B 2.0772
3 K B -1.0883
4 G B -1.9033
5 H B -1.2916
6 G B -0.0490
7 F B 1.8726
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Laboratory of Theory of Biopolymers 2018