Project name: abc9f0016286bbc

Status: done

Started: 2026-02-12 13:57:45
Settings
Chain sequence(s) A: FGGHKGF
C: FGGHKGF
B: FGGHKGF
D: FGGHKGF
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]                                                (00:00:01)
[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                                          (00:00:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:32)
Show buried residues

Minimal score value
-1.9615
Maximal score value
2.2201
Average score
-0.0782
Total score value
-2.1896

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 1.3191
2 G A 0.4194
3 G A -0.1848
4 H A -1.9227
5 K A -1.7789
6 G A -0.2735
7 F A 1.9814
1 F B 1.2782
2 G B 0.3472
3 G B -0.2266
4 H B -1.9615
5 K B -1.5378
6 G B -0.3563
7 F B 1.9484
1 F C 2.2201
2 G C 0.5697
3 G C -0.8162
4 H C -1.7756
5 K C -1.7598
6 G C 0.2542
7 F C 1.1775
1 F D 2.1735
2 G D 0.4201
3 G D -0.8389
4 H D -1.6907
5 K D -1.7544
6 G D 0.1533
7 F D 0.4260
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018