Project name: GGKGHFF8

Status: done

Started: 2026-02-23 07:28:30
Settings
Chain sequence(s) A: GGKGHFF
C: GGKGHFF
B: GGKGHFF
E: GGKGHFF
D: GGKGHFF
G: GGKGHFF
F: GGKGHFF
H: GGKGHFF
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                                          (00:02:37)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:39)
Show buried residues

Minimal score value
-3.8942
Maximal score value
3.9794
Average score
-0.4529
Total score value
-25.3644

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 -1.5614
2 G A -2.7156
3 K A -3.4490
4 G A -1.1996
5 H A 0.4700
6 F A 2.8777
7 F A 3.2503
1 G B -1.9120
2 G B -2.8198
3 K B -3.8942
4 G B -1.7608
5 H B 0.0000
6 F B 0.0000
7 F B 3.0725
1 G C -1.7660
2 G C -2.4970
3 K C -3.3832
4 G C 0.0000
5 H C -0.2546
6 F C 3.3249
7 F C 3.1725
1 G D -1.4935
2 G D -1.8969
3 K D -2.7981
4 G D -1.0228
5 H D 0.5574
6 F D 0.0000
7 F D 3.9794
1 G E -1.3333
2 G E -2.2480
3 K E -2.3361
4 G E -0.9054
5 H E 0.3166
6 F E 2.9997
7 F E 3.9473
1 G F -1.5807
2 G F -2.5159
3 K F -3.3942
4 G F -1.8267
5 H F -0.3711
6 F F 0.0000
7 F F 3.4928
1 G G -1.9098
2 G G -2.7774
3 K G -3.5641
4 G G -1.4158
5 H G -0.0655
6 F G 0.0000
7 F G 3.7847
1 G H -1.6286
2 G H -2.1450
3 K H -2.5219
4 G H -1.1759
5 H H 0.7634
6 F H 3.1830
7 F H 3.5833
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018