Project name: KGHKGHK2

Status: done

Started: 2026-02-22 09:37:47
Settings
Chain sequence(s) A: KGHKGHK
B: KGHKGHK
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                                          (00:01:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:01)
Show buried residues

Minimal score value
-5.2886
Maximal score value
-2.42
Average score
-3.8439
Total score value
-53.8146

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 -3.7390
2 G A -4.8277
3 H A -4.5394
4 K A -5.1734
5 G A -3.4859
6 H A -3.4071
7 K A -2.5722
1 K B -3.2272
2 G B -3.6583
3 H B -4.5714
4 K B -5.2886
5 G B -3.5413
6 H B -3.3631
7 K B -2.4200
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Laboratory of Theory of Biopolymers 2018