Project name: FGGHKGG8

Status: done

Started: 2026-05-21 14:06:18
Settings
Chain sequence(s) A: FGGHKGG
C: FGGHKGG
B: FGGHKGG
E: FGGHKGG
D: FGGHKGG
G: FGGHKGG
F: FGGHKGG
H: FGGHKGG
input PDB
Selected Chain(s) A,C,B,E,D,G,F,H
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                                          (00:02:25)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:26)
Show buried residues

Minimal score value
-6.0102
Maximal score value
6.2343
Average score
-0.8322
Total score value
-46.6034

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 5.5220
2 G A 1.0849
3 G A -1.7622
4 H A -4.5415
5 K A -5.8026
6 G A -3.6288
7 G A -2.9958
1 F B 6.0971
2 G B 0.0000
3 G B 0.0000
4 H B -4.8656
5 K B -6.0102
6 G B 0.0000
7 G B -3.0288
1 F C 6.2343
2 G C 0.0000
3 G C -0.7539
4 H C -3.7703
5 K C -5.0105
6 G C 0.0000
7 G C -2.8988
1 F D 6.0003
2 G D 2.8907
3 G D -0.2032
4 H D -2.7313
5 K D -5.0007
6 G D -3.3233
7 G D -2.5825
1 F E 5.1772
2 G E 2.1280
3 G E -0.7999
4 H E -3.1713
5 K E -3.8131
6 G E -2.6673
7 G E -1.8931
1 F F 5.6814
2 G F 1.6913
3 G F -0.1867
4 H F -1.9688
5 K F -2.8809
6 G F -1.7576
7 G F -1.3705
1 F G 5.8155
2 G G 1.6398
3 G G -0.8821
4 H G -2.9956
5 K G -2.7311
6 G G -2.3092
7 G G -1.5930
1 F H 4.1433
2 G H 0.0134
3 G H -1.4545
4 H H -2.4957
5 K H -3.3434
6 G H -2.1136
7 G H -1.3852
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018