Project name: fbb3f1e8c6a9f6c

Status: done

Started: 2026-02-12 14:41:46
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Chain sequence(s) A: KGHKGHK
C: KGHKGHK
B: KGHKGHK
E: KGHKGHK
D: KGHKGHK
G: KGHKGHK
F: KGHKGHK
H: KGHKGHK
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                                          (00:06:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:33)
Show buried residues

Minimal score value
-3.9606
Maximal score value
0.0
Average score
-2.685
Total score value
-150.3573

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 -3.6344
2 G A -2.3382
3 H A -1.8169
4 K A -1.9545
5 G A 0.0000
6 H A -2.9554
7 K A -3.9299
1 K B -3.5033
2 G B -2.6554
3 H B -2.4467
4 K B 0.0000
5 G B 0.0000
6 H B -3.3091
7 K B -3.8589
1 K C -3.1677
2 G C -2.5765
3 H C -2.7699
4 K C -3.0903
5 G C -2.4039
6 H C -3.2645
7 K C -3.4345
1 K D -3.3653
2 G D -2.8654
3 H D -2.9382
4 K D -3.1607
5 G D -2.4144
6 H D -3.1654
7 K D -3.3196
1 K E -3.9606
2 G E -3.4005
3 H E -3.6204
4 K E -3.1513
5 G E 0.0000
6 H E -3.2551
7 K E -3.7110
1 K F -3.1814
2 G F -2.8091
3 H F -2.7615
4 K F -2.8418
5 G F -2.4272
6 H F -2.4320
7 K F -3.1360
1 K G -3.1616
2 G G -2.6635
3 H G -2.5306
4 K G -2.8619
5 G G -2.4645
6 H G -2.8625
7 K G -3.3729
1 K H -3.7382
2 G H -2.6654
3 H H -2.1984
4 K H 0.0000
5 G H 0.0000
6 H H -3.0250
7 K H -3.7859
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Laboratory of Theory of Biopolymers 2018