Project name: 9ae613a386625dc

Status: done

Started: 2026-04-12 13:07:31
Settings
Chain sequence(s) A: FTGHKTF
B: FTGHKTF
input PDB
Selected Chain(s) A,B
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                                          (00:00:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:08)
Show buried residues

Minimal score value
-2.5477
Maximal score value
2.1599
Average score
-0.1614
Total score value
-2.2595

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 2.1586
2 T A 0.1690
3 G A -1.1430
4 H A -2.5434
5 K A -2.0910
6 T A 0.2016
7 F A 2.1301
1 F B 2.1599
2 T B 0.1591
3 G B -1.1496
4 H B -2.5477
5 K B -2.0932
6 T B 0.2062
7 F B 2.1239
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Laboratory of Theory of Biopolymers 2018