Project name: 52e28cbae438245

Status: done

Started: 2026-02-23 14:35:58
Settings
Chain sequence(s) A: FSKGHGG
C: FSKGHGG
B: FSKGHGG
D: FSKGHGG
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]                                                (00:00:01)
[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                                          (00:00:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:29)
Show buried residues

Minimal score value
-2.7794
Maximal score value
2.6206
Average score
-1.0705
Total score value
-29.9735

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 2.1060
2 S A -0.0439
3 K A -2.0291
4 G A -2.3705
5 H A -2.4905
6 G A -1.7458
7 G A -1.3578
1 F B 2.3365
2 S B 0.4064
3 K B -1.5352
4 G B -2.5257
5 H B -2.7794
6 G B -2.0153
7 G B -1.5181
1 F C 2.6206
2 S C 0.4235
3 K C -1.4883
4 G C -2.4240
5 H C -2.4543
6 G C -2.0362
7 G C -1.5575
1 F D 1.9988
2 S D 0.0856
3 K D -1.9448
4 G D -2.3798
5 H D -2.3528
6 G D -1.7089
7 G D -1.1930
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Laboratory of Theory of Biopolymers 2018