Project name: 6137374f07bee0c

Status: done

Started: 2026-05-21 14:38:06
Settings
Chain sequence(s) A: FFGHKGG
C: FFGHKGG
B: FFGHKGG
E: FFGHKGG
D: FFGHKGG
G: FFGHKGG
F: FFGHKGG
H: FFGHKGG
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                                          (00:01:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:34)
Show buried residues

Minimal score value
-2.6988
Maximal score value
3.1823
Average score
0.024
Total score value
1.342

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 2.4679
2 F A 3.1823
3 G A 0.7654
4 H A 0.0000
5 K A -2.6604
6 G A 0.0000
7 G A -1.5304
1 F B 3.0243
2 F B 3.1474
3 G B 0.5581
4 H B -0.6684
5 K B -2.4971
6 G B -1.9112
7 G B -1.0756
1 F C 2.8387
2 F C 3.0598
3 G C 0.5979
4 H C -0.5665
5 K C -2.3916
6 G C -1.8318
7 G C -1.0032
1 F D 2.5853
2 F D 2.8885
3 G D 0.7531
4 H D 0.0000
5 K D -2.6466
6 G D 0.0000
7 G D -1.4297
1 F E 2.3088
2 F E 2.5583
3 G E 0.4026
4 H E 0.0000
5 K E -2.6988
6 G E -1.8826
7 G E -1.4056
1 F F 1.9739
2 F F 2.5229
3 G F 0.2641
4 H F -1.1042
5 K F -2.6547
6 G F -1.8098
7 G F -1.2534
1 F G 1.6019
2 F G 2.5766
3 G G 0.4075
4 H G -0.8164
5 K G -2.4571
6 G G -1.5893
7 G G -1.1103
1 F H 1.9388
2 F H 3.0322
3 G H 0.6158
4 H H 0.0000
5 K H -2.6041
6 G H -1.7920
7 G H -1.3393
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018