Project name: 2ebb43eafa87592

Status: done

Started: 2026-02-12 13:57:34
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                                          (00:00:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:15)
Show buried residues

Minimal score value
-2.9766
Maximal score value
1.8343
Average score
-0.5859
Total score value
-8.2021

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 1.8323
2 G A -0.1479
3 G A -1.3639
4 H A -2.8965
5 K A -2.6561
6 G A -0.5717
7 F A 1.7545
1 F B 1.8343
2 G B -0.1048
3 G B -1.2557
4 H B -2.9766
5 K B -2.7004
6 G B -0.6790
7 F B 1.7294
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Laboratory of Theory of Biopolymers 2018