Project name: 37fa97a9f83660e

Status: done

Started: 2026-02-12 14:16:33
Settings
Chain sequence(s) A: FFKGHGG
C: FFKGHGG
B: FFKGHGG
D: FFKGHGG
input PDB
Selected Chain(s) A,C,B,D
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:33)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:35)
Show buried residues

Minimal score value
-2.3654
Maximal score value
2.1996
Average score
-0.6179
Total score value
-17.3026

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 2.1224
2 F A 0.3643
3 K A -1.3114
4 G A -2.3195
5 H A -2.1732
6 G A -0.8730
7 G A 0.2477
1 F B 2.0918
2 F B 0.2042
3 K B -1.7329
4 G B -2.2354
5 H B -2.3028
6 G B -0.6958
7 G B -0.0004
1 F C 2.1996
2 F C 0.5759
3 K C -1.1162
4 G C -2.1269
5 H C -2.0835
6 G C -1.0421
7 G C -0.0518
1 F D 2.0172
2 F D 0.0708
3 K D -1.6816
4 G D -2.3654
5 H D -2.2788
6 G D -0.7975
7 G D -0.0083
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Laboratory of Theory of Biopolymers 2018