Project name: KGHKGHG2

Status: done

Started: 2026-05-21 14:34:25
Settings
Chain sequence(s) A: KGHKGHG
B: KGHKGHG
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                                          (00:00:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:15)
Show buried residues

Minimal score value
-4.4216
Maximal score value
0.0
Average score
-3.1665
Total score value
-44.3307

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 K A -2.6791
2 G A -2.7912
3 H A -3.7694
4 K A -4.2832
5 G A -3.8836
6 H A -3.8604
7 G A -2.8546
1 K B -2.5035
2 G B -2.5161
3 H B -3.4697
4 K B -4.4216
5 G B 0.0000
6 H B -3.8774
7 G B -3.4209
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Laboratory of Theory of Biopolymers 2018