Project name: FFKGHGF4

Status: done

Started: 2026-05-19 10:14:05
Settings
Chain sequence(s) A: FFKGHGF
C: FFKGHGF
B: FFKGHGF
D: FFKGHGF
input PDB
Selected Chain(s) A,C,B,D
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                                          (00:01:53)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:54)
Show buried residues

Minimal score value
-1.6598
Maximal score value
3.6285
Average score
1.0574
Total score value
29.6064

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 0.9628
2 F A 0.0000
3 K A -1.6598
4 G A -0.8216
5 H A -0.1160
6 G A 1.5901
7 F A 3.6285
1 F B 2.4838
2 F B 2.5235
3 K B 0.9284
4 G B 0.0000
5 H B 1.4631
6 G B 0.0000
7 F B 3.5940
1 F C 1.9977
2 F C 1.3120
3 K C -0.9604
4 G C 0.0000
5 H C -0.0705
6 G C 0.9031
7 F C 2.5431
1 F D 1.6818
2 F D 1.9141
3 K D -0.2942
4 G D 0.0000
5 H D 1.7475
6 G D 1.4287
7 F D 2.8267
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Laboratory of Theory of Biopolymers 2018