Project name: 94af58e80d4aa25

Status: done

Started: 2026-02-12 14:00:10
Settings
Chain sequence(s) A: FGGHKGF
C: FGGHKGF
B: FGGHKGF
E: FGGHKGF
D: FGGHKGF
G: FGGHKGF
F: FGGHKGF
H: FGGHKGF
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                                          (00:01:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:13)
Show buried residues

Minimal score value
-2.881
Maximal score value
3.2038
Average score
0.2287
Total score value
12.8045

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 3.2038
2 G A 1.1264
3 G A -0.8533
4 H A 0.0000
5 K A -1.5263
6 G A 0.0000
7 F A 2.0741
1 F B 2.7399
2 G B 0.6700
3 G B -1.1463
4 H B -2.5594
5 K B -2.1492
6 G B 0.0682
7 F B 1.8915
1 F C 2.2392
2 G C 0.3683
3 G C -1.2561
4 H C -2.2035
5 K C -2.0345
6 G C 0.0000
7 F C 2.5650
1 F D 2.1653
2 G D 0.9017
3 G D -0.7496
4 H D 0.0000
5 K D -1.5299
6 G D 0.0000
7 F D 1.8206
1 F E 2.5354
2 G E 0.6616
3 G E -1.1655
4 H E -2.1053
5 K E -2.0708
6 G E 0.5525
7 F E 2.3753
1 F F 2.4597
2 G F 0.4503
3 G F -1.3237
4 H F -2.8810
5 K F -2.2956
6 G F -0.0524
7 F F 1.8682
1 F G 2.5874
2 G G 1.0441
3 G G -0.9669
4 H G 0.0000
5 K G -1.6498
6 G G 0.0000
7 F G 2.2907
1 F H 3.0697
2 G H 1.3608
3 G H -0.6563
4 H H 0.0000
5 K H -1.5010
6 G H 0.0000
7 F H 2.3912
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Laboratory of Theory of Biopolymers 2018