Project name: 6cc89ff86648fa7

Status: done

Started: 2026-05-21 15:39:35
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Chain sequence(s) A: KGHKGHG
C: KGHKGHG
B: KGHKGHG
E: KGHKGHG
D: KGHKGHG
G: KGHKGHG
F: KGHKGHG
H: KGHKGHG
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                                          (00:02:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:01)
Show buried residues

Minimal score value
-3.3504
Maximal score value
0.0
Average score
-2.0131
Total score value
-112.7341

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 K A -2.7419
2 G A -2.5323
3 H A -2.9677
4 K A -2.9920
5 G A -2.5557
6 H A -2.4178
7 G A -1.5908
1 K B -2.6380
2 G B -2.3275
3 H B -2.5783
4 K B -2.7138
5 G B 0.0000
6 H B -1.9775
7 G B -1.2622
1 K C -3.2339
2 G C -2.6626
3 H C 0.0000
4 K C -2.5407
5 G C 0.0000
6 H C -1.8869
7 G C -1.4769
1 K D -3.3504
2 G D -2.9123
3 H D 0.0000
4 K D -2.8396
5 G D 0.0000
6 H D -1.9225
7 G D -1.5259
1 K E -2.8085
2 G E -2.8104
3 H E -3.1215
4 K E -3.2331
5 G E -2.5547
6 H E -1.9034
7 G E -1.3250
1 K F -2.6451
2 G F -2.5324
3 H F -2.6467
4 K F -3.2162
5 G F 0.0000
6 H F -2.0257
7 G F -1.3650
1 K G -3.0944
2 G G -2.6820
3 H G 0.0000
4 K G -2.6129
5 G G 0.0000
6 H G -2.0761
7 G G -1.5766
1 K H -3.2151
2 G H -2.8278
3 H H 0.0000
4 K H -2.9797
5 G H 0.0000
6 H H -2.1450
7 G H -1.6896
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Laboratory of Theory of Biopolymers 2018