Project name: GGKGHGF2

Status: done

Started: 2026-05-21 08:46:39
Settings
Chain sequence(s) A: GGKGHGF
B: GGKGHGF
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                                          (00:00:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:06)
Show buried residues

Minimal score value
-2.8457
Maximal score value
1.0111
Average score
-1.5495
Total score value
-21.6928

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 -1.3468
2 G A -1.9014
3 K A -2.5859
4 G A -2.6440
5 H A -1.8866
6 G A -1.1620
7 F A 1.0111
1 G B -1.2018
2 G B -1.9785
3 K B -2.8457
4 G B -2.5936
5 H B -2.4478
6 G B -0.8566
7 F B 0.7468
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Laboratory of Theory of Biopolymers 2018