Project name: d8d1896787d5451

Status: done

Started: 2026-02-23 15:14:21
Settings
Chain sequence(s) A: FKFKGHFKF
C: FKFKGHFKF
B: FKFKGHFKF
E: FKFKGHFKF
D: FKFKGHFKF
G: FKFKGHFKF
F: FKFKGHFKF
H: FKFKGHFKF
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                                          (00:08:50)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:53)
Show buried residues

Minimal score value
-2.811
Maximal score value
1.7143
Average score
-0.6
Total score value
-43.2012

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 0.1659
2 K A -2.3301
3 F A 0.0000
4 K A -2.6853
5 G A 0.0000
6 H A -1.8718
7 F A 0.0000
8 K A -1.1298
9 F A 1.1295
1 F B 0.9555
2 K B -1.6963
3 F B -1.4274
4 K B -2.8110
5 G B 0.0000
6 H B -2.1747
7 F B 0.0000
8 K B -1.2308
9 F B 1.2875
1 F C 1.2466
2 K C -1.1600
3 F C -0.9022
4 K C -2.4672
5 G C -1.3086
6 H C -1.9415
7 F C -0.5992
8 K C -0.9119
9 F C 1.4708
1 F D 0.4764
2 K D -1.6224
3 F D 0.0000
4 K D -2.4340
5 G D 0.0000
6 H D -1.6479
7 F D 0.0000
8 K D -0.7041
9 F D 1.3296
1 F E 0.4196
2 K E -1.6032
3 F E 0.0000
4 K E -2.3100
5 G E 0.0000
6 H E -1.5734
7 F E 0.0000
8 K E -0.3956
9 F E 1.4848
1 F F 1.1617
2 K F -1.3804
3 F F -1.2213
4 K F -2.6837
5 G F -1.5195
6 H F -1.7611
7 F F -0.5140
8 K F -0.5698
9 F F 1.6332
1 F G 1.4160
2 K G -0.9758
3 F G -0.7181
4 K G -2.2509
5 G G -1.1798
6 H G -1.3678
7 F G 0.1000
8 K G -0.5242
9 F G 1.7143
1 F H 0.5317
2 K H -1.4879
3 F H 0.0000
4 K H -2.3863
5 G H 0.0000
6 H H -1.5204
7 F H 0.0000
8 K H -0.3083
9 F H 1.5834
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018