Project name: 8b984b75dbdfa35

Status: done

Started: 2026-02-23 14:32:51
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Chain sequence(s) A: FSKGHGG
C: FSKGHGG
B: FSKGHGG
E: FSKGHGG
D: FSKGHGG
G: FSKGHGG
F: FSKGHGG
H: FSKGHGG
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                                          (00:02:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:12)
Show buried residues

Minimal score value
-2.8006
Maximal score value
1.9595
Average score
-0.6154
Total score value
-34.4637

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 1.5279
2 S A 0.0000
3 K A -2.4290
4 G A 0.0000
5 H A -1.8777
6 G A 0.0000
7 G A -0.0068
1 F B 1.6821
2 S B -0.4774
3 K B -2.4993
4 G B -2.8006
5 H B -2.2756
6 G B -0.8574
7 G B -0.3817
1 F C 1.4753
2 S C 0.0000
3 K C -2.7522
4 G C -2.5565
5 H C -1.6858
6 G C -0.1349
7 G C 0.4013
1 F D 1.9595
2 S D 0.0000
3 K D -2.2299
4 G D 0.0000
5 H D -1.8717
6 G D 0.0000
7 G D -0.0892
1 F E 1.5803
2 S E 0.0000
3 K E -2.6293
4 G E 0.0000
5 H E -1.7826
6 G E -0.3660
7 G E 0.1640
1 F F 1.5444
2 S F -0.3300
3 K F -2.3936
4 G F -2.4045
5 H F -2.1966
6 G F -1.0799
7 G F -0.8265
1 F G 1.0364
2 S G 0.0000
3 K G -2.3463
4 G G 0.0000
5 H G -1.6851
6 G G 0.0000
7 G G -0.3218
1 F H 0.9142
2 S H 0.0000
3 K H -2.1763
4 G H 0.0000
5 H H -1.4870
6 G H 0.0000
7 G H 0.2021
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Laboratory of Theory of Biopolymers 2018