Project name: FKFEKGH8

Status: done

Started: 2026-02-13 11:41:14
Settings
Chain sequence(s) A: FKFEKGH
C: FKFEKGH
B: FKFEKGH
E: FKFEKGH
D: FKFEKGH
G: FKFEKGH
F: FKFEKGH
H: FKFEKGH
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:11:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:11:32)
Show buried residues

Minimal score value
-5.0485
Maximal score value
0.8106
Average score
-2.1417
Total score value
-119.9351

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 -0.8243
2 K A -1.5087
3 F A -0.7782
4 E A -3.2289
5 K A -3.3510
6 G A -3.1665
7 H A -3.0931
1 F B -0.0317
2 K B -3.3011
3 F B -2.5254
4 E B -4.9779
5 K B -4.5323
6 G B -3.9571
7 H B -3.3762
1 F C -0.4776
2 K C -3.7026
3 F C 0.0000
4 E C -5.0485
5 K C 0.0000
6 G C 0.0000
7 H C -3.1839
1 F D -0.5845
2 K D -2.4718
3 F D -2.3250
4 E D -3.4636
5 K D -4.1405
6 G D -3.2851
7 H D -3.2046
1 F E 0.0000
2 K E -1.7273
3 F E -0.4833
4 E E -1.9817
5 K E -2.7374
6 G E -2.7111
7 H E -2.2425
1 F F -1.0162
2 K F -2.9366
3 F F 0.0000
4 E F -4.0981
5 K F -3.2587
6 G F 0.0000
7 H F -2.0047
1 F G -0.2817
2 K G -2.7579
3 F G -2.5606
4 E G -3.4237
5 K G 0.0000
6 G G -2.3917
7 H G -2.6699
1 F H 0.8106
2 K H -1.9772
3 F H 0.0000
4 E H -3.5404
5 K H 0.0000
6 G H -2.6372
7 H H -2.7677
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Laboratory of Theory of Biopolymers 2018