Project name: 1d8aecf05a90a91

Status: done

Started: 2026-02-08 15:56:46
Settings
Chain sequence(s) L: SEYSDEYFI
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                                          (00:00:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:06)
Show buried residues

Minimal score value
-2.1094
Maximal score value
2.3269
Average score
0.064
Total score value
0.5761

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 S L -0.1853
1 E L -1.6459
2 Y L 0.9651
3 S L -0.4376
4 D L -2.1094
5 E L -1.7146
6 Y L 1.0541
7 F L 2.3228
8 I L 2.3269
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Laboratory of Theory of Biopolymers 2018