Project name: 77774e64a2fdd27

Status: done

Started: 2026-02-11 10:32:49
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Chain sequence(s) A: GHKGHKG
C: GHKGHKG
B: GHKGHKG
E: GHKGHKG
D: GHKGHKG
G: GHKGHKG
F: GHKGHKG
H: GHKGHKG
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                                          (00:02:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:53)
Show buried residues

Minimal score value
-3.9354
Maximal score value
0.0
Average score
-2.2615
Total score value
-126.6447

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 G A -1.7259
2 H A -2.9026
3 K A -3.3232
4 G A -2.4495
5 H A -2.1615
6 K A -2.0115
7 G A -1.3664
1 G B -1.7151
2 H B -2.9180
3 K B -3.3282
4 G B -2.4859
5 H B -2.7386
6 K B -2.5278
7 G B -1.6499
1 G C -1.9462
2 H C -2.8852
3 K C -3.1525
4 G C 0.0000
5 H C -2.5128
6 K C 0.0000
7 G C -1.7407
1 G D -1.9654
2 H D -2.7050
3 K D -3.3775
4 G D 0.0000
5 H D -2.8821
6 K D -2.4138
7 G D -1.7829
1 G E -1.7111
2 H E -2.5181
3 K E -3.6748
4 G E 0.0000
5 H E -3.1899
6 K E -3.3532
7 G E -1.9550
1 G F -1.9218
2 H F -2.9182
3 K F -3.9354
4 G F -3.2260
5 H F -3.3922
6 K F -3.5759
7 G F -2.0311
1 G G -2.1612
2 H G -3.1614
3 K G -3.9292
4 G G 0.0000
5 H G -3.3082
6 K G 0.0000
7 G G -1.9931
1 G H -2.0146
2 H H -3.0046
3 K H -3.2971
4 G H 0.0000
5 H H -2.3473
6 K H -1.8700
7 G H -1.4871
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Laboratory of Theory of Biopolymers 2018