Project name: FFKGHGG8

Status: done

Started: 2026-02-13 13:23:56
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Chain sequence(s) A: FFKGHGG
C: FFKGHGG
B: FFKGHGG
E: FFKGHGG
D: FFKGHGG
G: FFKGHGG
F: FFKGHGG
H: FFKGHGG
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                                          (00:11:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:11:49)
Show buried residues

Minimal score value
-2.6686
Maximal score value
4.0806
Average score
-0.0862
Total score value
-4.8252

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 3.3761
2 F A 1.1535
3 K A -1.4751
4 G A 0.0000
5 H A -2.5441
6 G A -1.8002
7 G A -1.6301
1 F B 4.0806
2 F B 2.8579
3 K B 0.1919
4 G B -1.3074
5 H B -2.4722
6 G B -1.8140
7 G B -1.7292
1 F C 3.7427
2 F C 2.4179
3 K C -0.5425
4 G C -1.8697
5 H C -2.6686
6 G C -1.8153
7 G C -1.7741
1 F D 2.4384
2 F D 1.8915
3 K D -1.0487
4 G D 0.0000
5 H D -2.3856
6 G D -1.8522
7 G D -1.1569
1 F E 2.2662
2 F E 1.9253
3 K E -0.9287
4 G E -1.1817
5 H E -1.9617
6 G E -1.9056
7 G E -1.1843
1 F F 0.0000
2 F F 3.0225
3 K F 0.8467
4 G F -0.7887
5 H F -2.2742
6 G F 0.0000
7 G F -1.6171
1 F G 3.5792
2 F G 3.6794
3 K G 1.6047
4 G G 0.0362
5 H G -1.4625
6 G G -1.5584
7 G G -1.2468
1 F H 3.7266
2 F H 3.2426
3 K H 0.7087
4 G H -0.7561
5 H H -1.9025
6 G H -1.5738
7 G H -1.3858
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Laboratory of Theory of Biopolymers 2018