Project name: 37c01e3d79553a2

Status: done

Started: 2026-05-20 11:03:02
Settings
Chain sequence(s) A: FFKGHGF
C: FFKGHGF
B: FFKGHGF
E: FFKGHGF
D: FFKGHGF
G: FFKGHGF
F: FFKGHGF
H: FFKGHGF
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]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:29)
Show buried residues

Minimal score value
-1.8312
Maximal score value
4.6138
Average score
0.8974
Total score value
50.2522

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 3.7898
2 F A 0.0000
3 K A -0.1600
4 G A 0.0000
5 H A -0.0314
6 G A 0.0000
7 F A 3.9216
1 F B 3.5970
2 F B 2.9351
3 K B 0.0872
4 G B -0.9943
5 H B -0.6274
6 G B 1.0043
7 F B 2.8130
1 F C 3.5237
2 F C 1.6632
3 K C -1.2682
4 G C -1.6020
5 H C -0.9959
6 G C 1.9669
7 F C 3.8707
1 F D 3.4496
2 F D 0.0000
3 K D -1.0826
4 G D 0.0000
5 H D -0.6817
6 G D 0.0000
7 F D 3.8733
1 F E 3.2937
2 F E 0.0000
3 K E -1.8312
4 G E 0.0000
5 H E -1.0364
6 G E 0.0000
7 F E 3.5173
1 F F 3.1220
2 F F 1.5138
3 K F -1.3480
4 G F -1.7775
5 H F -1.1675
6 G F 0.8886
7 F F 3.1425
1 F G 3.2517
2 F G 0.0000
3 K G -0.9031
4 G G 0.0000
5 H G -0.3528
6 G G 0.0000
7 F G 3.9561
1 F H 3.1708
2 F H 0.0000
3 K H -0.8382
4 G H 0.0000
5 H H -0.0153
6 G H 0.0000
7 F H 4.6138
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Laboratory of Theory of Biopolymers 2018