Project name: aa6d3fcc78be672

Status: done

Started: 2026-05-21 14:43:17
Settings
Chain sequence(s) A: FFGHKGG
B: FFGHKGG
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                                          (00:00:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:14)
Show buried residues

Minimal score value
-3.0524
Maximal score value
3.7212
Average score
-0.2024
Total score value
-2.833

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 3.6613
2 F A 3.4286
3 G A 0.5800
4 H A -2.0193
5 K A -3.0524
6 G A -2.5090
7 G A -1.7192
1 F B 3.7212
2 F B 3.3620
3 G B 0.5448
4 H B -1.7756
5 K B -3.0118
6 G B -2.4543
7 G B -1.5893
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Laboratory of Theory of Biopolymers 2018