Project name: d5da0b69b37846e

Status: done

Started: 2026-02-23 13:17:29
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Chain sequence(s) A: FFKGHFF
C: FFKGHFF
B: FFKGHFF
E: FFKGHFF
D: FFKGHFF
G: FFKGHFF
F: FFKGHFF
H: FFKGHFF
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                                          (00:01:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:48)
Show buried residues

Minimal score value
-1.695
Maximal score value
3.6589
Average score
0.8744
Total score value
48.9678

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 2.8759
2 F A 1.0570
3 K A -1.1895
4 G A -1.1048
5 H A -0.2431
6 F A 2.2394
7 F A 2.9554
1 F B 1.9042
2 F B 0.0000
3 K B -1.6950
4 G B -1.3932
5 H B -0.5265
6 F B 1.9707
7 F B 3.0370
1 F C 1.5869
2 F C 0.0000
3 K C -1.3271
4 G C 0.0000
5 H C -0.0185
6 F C 2.4445
7 F C 3.4444
1 F D 3.5794
2 F D 0.0000
3 K D -0.7228
4 G D 0.0000
5 H D 0.1559
6 F D 2.4266
7 F D 3.6589
1 F E 2.4414
2 F E 1.4001
3 K E -0.8218
4 G E -0.8358
5 H E -0.4378
6 F E 2.0349
7 F E 2.7615
1 F F 2.8654
2 F F 0.0000
3 K F -0.9194
4 G F 0.0000
5 H F 0.0570
6 F F 0.0000
7 F F 3.5768
1 F G 2.7291
2 F G 0.8513
3 K G -1.4483
4 G G -1.4647
5 H G -0.5984
6 F G 1.6158
7 F G 2.9557
1 F H 0.2862
2 F H 0.0000
3 K H -0.8487
4 G H 0.0000
5 H H 1.3925
6 F H 3.0456
7 F H 3.2137
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Laboratory of Theory of Biopolymers 2018