Project name: e7ccd5bafe3c5f4

Status: done

Started: 2026-02-23 14:37:36
Settings
Chain sequence(s) A: FSKGHGG
B: FSKGHGG
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                                          (00:00:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:07)
Show buried residues

Minimal score value
-2.6091
Maximal score value
2.0348
Average score
-1.1326
Total score value
-15.857

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 1.9980
2 S A 0.0120
3 K A -1.9713
4 G A -2.4365
5 H A -2.6091
6 G A -1.8496
7 G A -1.3326
1 F B 2.0348
2 S B 0.1138
3 K B -1.6177
4 G B -2.4653
5 H B -2.4814
6 G B -1.8878
7 G B -1.3643
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Laboratory of Theory of Biopolymers 2018