Project name: GKGHKGH2

Status: done

Started: 2026-02-23 04:35:12
Settings
Chain sequence(s) A: GKGHKGH
B: GKGHKGH
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                                          (00:00:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:27)
Show buried residues

Minimal score value
-4.4173
Maximal score value
-1.6827
Average score
-3.3258
Total score value
-46.5611

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 G A -3.5088
2 K A -4.4173
3 G A -4.1358
4 H A -3.8604
5 K A -3.5841
6 G A -2.0312
7 H A -1.6827
1 G B -2.9700
2 K B -4.1314
3 G B -3.7056
4 H B -4.1971
5 K B -3.9458
6 G B -2.6148
7 H B -1.7761
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Laboratory of Theory of Biopolymers 2018