Project name: 7ac1c68f4977a7f

Status: done

Started: 2026-02-12 13:43:07
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Chain sequence(s) A: FGKGHGF
C: FGKGHGF
B: FGKGHGF
E: FGKGHGF
D: FGKGHGF
G: FGKGHGF
F: FGKGHGF
H: FGKGHGF
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                                          (00:02:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:50)
Show buried residues

Minimal score value
-2.5687
Maximal score value
3.4112
Average score
0.2577
Total score value
14.434

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 3.3873
2 G A 0.0000
3 K A -0.7722
4 G A 0.0000
5 H A -1.9271
6 G A 0.0000
7 F A 1.4778
1 F B 3.3791
2 G B 1.6209
3 K B -0.7219
4 G B 0.0000
5 H B -1.5012
6 G B 0.0000
7 F B 1.9556
1 F C 2.5459
2 G C 0.5909
3 K C -1.4357
4 G C -1.9107
5 H C -1.4445
6 G C 0.0571
7 F C 2.2496
1 F D 3.0148
2 G D 1.5067
3 K D -1.1163
4 G D 0.0000
5 H D -1.8475
6 G D 0.0000
7 F D 1.8391
1 F E 3.4112
2 G E 0.0000
3 K E -0.7807
4 G E 0.0000
5 H E -1.7531
6 G E 0.0000
7 F E 1.6795
1 F F 2.9264
2 G F 1.2583
3 K F -1.1730
4 G F 0.0000
5 H F -1.9323
6 G F 0.0000
7 F F 1.4573
1 F G 2.4505
2 G G 0.7755
3 K G -1.8194
4 G G -2.5687
5 H G -2.1882
6 G G -0.6720
7 F G 1.7071
1 F H 2.7970
2 G H 1.2156
3 K H -1.4653
4 G H 0.0000
5 H H -2.2838
6 G H -0.8348
7 F H 1.2792
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Laboratory of Theory of Biopolymers 2018