Project name: GGGHKGF8

Status: done

Started: 2026-02-23 05:58:59
Settings
Chain sequence(s) A: GGGHKGF
C: GGGHKGF
B: GGGHKGF
E: GGGHKGF
D: GGGHKGF
G: GGGHKGF
F: GGGHKGF
H: GGGHKGF
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]                                                (00:00:01)
[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                                          (00:02:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:54)
Show buried residues

Minimal score value
-3.8057
Maximal score value
2.575
Average score
-1.4392
Total score value
-80.5961

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 -1.1701
2 G A -2.0188
3 G A 0.0000
4 H A -3.1769
5 K A -2.5292
6 G A -0.6184
7 F A 1.9572
1 G B -1.8345
2 G B 0.0000
3 G B -3.1003
4 H B -2.5428
5 K B -1.6303
6 G B -0.5389
7 F B 1.0678
1 G C -1.6315
2 G C 0.0000
3 G C 0.0000
4 H C -3.0695
5 K C -1.3710
6 G C 0.4265
7 F C 2.5750
1 G D -2.0465
2 G D -1.6035
3 G D -2.0948
4 H D -3.3413
5 K D -3.5618
6 G D 0.0000
7 F D -0.7026
1 G E -2.5981
2 G E -1.8815
3 G E -2.1275
4 H E -3.1467
5 K E -3.5942
6 G E -2.4430
7 F E -1.4700
1 G F -2.8839
2 G F 0.0000
3 G F -2.2923
4 H F -1.2838
5 K F 0.0000
6 G F 0.2191
7 F F 1.7597
1 G G -2.3845
2 G G -3.2262
3 G G -3.1730
4 H G -2.0058
5 K G -1.9132
6 G G -0.5100
7 F G 1.5309
1 G H -2.1229
2 G H -2.0449
3 G H -2.4908
4 H H -3.3152
5 K H -3.8057
6 G H 0.0000
7 F H -0.8364
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018