Project name: 3f9f0f9dec8252

Status: done

Started: 2026-02-08 16:03:04
Settings
Chain sequence(s) L: CLYSGGGC
input PDB
Selected Chain(s) L
Distance of aggregation 5 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 L 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                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:01)
Show buried residues

Minimal score value
-0.6377
Maximal score value
1.9632
Average score
0.5121
Total score value
4.0969

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
0 C L 1.0959
1 L L 1.9632
2 Y L 1.6100
3 S L 0.0325
4 G L -0.5836
5 G L -0.6377
6 G L -0.1930
7 C L 0.8096
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018