Project name: d8837a5613b171b

Status: done

Started: 2026-04-12 13:18:41
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Chain sequence(s) A: FYGHKYF
C: FYGHKYF
B: FYGHKYF
E: FYGHKYF
D: FYGHKYF
G: FYGHKYF
F: FYGHKYF
H: FYGHKYF
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                                          (00:00:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:54)
Show buried residues

Minimal score value
-1.0035
Maximal score value
3.9485
Average score
1.4614
Total score value
81.8368

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 3.9485
2 Y A 3.2080
3 G A 0.0000
4 H A 0.0000
5 K A 0.3728
6 Y A 0.0000
7 F A 3.5130
1 F B 3.3463
2 Y B 2.8914
3 G B 1.2051
4 H B 0.2311
5 K B 0.1764
6 Y B 1.5459
7 F B 2.9415
1 F C 2.9142
2 Y C 2.4961
3 G C 0.8894
4 H C 0.0494
5 K C 0.5180
6 Y C 2.2130
7 F C 3.2874
1 F D 2.5426
2 Y D 2.2040
3 G D 0.0000
4 H D 0.0000
5 K D 0.5074
6 Y D 2.1302
7 F D 3.7467
1 F E 2.4898
2 Y E 2.0330
3 G E 0.0000
4 H E 0.0000
5 K E 0.0233
6 Y E 1.7453
7 F E 3.3834
1 F F 2.8550
2 Y F 2.1516
3 G F 0.7088
4 H F -0.4802
5 K F -0.8361
6 Y F 1.0201
7 F F 2.6506
1 F G 3.1259
2 Y G 2.4323
3 G G 0.7859
4 H G -0.6895
5 K G -1.0035
6 Y G 0.7930
7 F G 2.5584
1 F H 3.1296
2 Y H 2.7966
3 G H 0.0000
4 H H 0.0000
5 K H 0.0196
6 Y H 0.0000
7 F H 3.2655
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Laboratory of Theory of Biopolymers 2018