Project name: f13445ae148d89f

Status: done

Started: 2026-02-08 15:49:18
Settings
Chain sequence(s) L: ALHLNGELAAS
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                                          (00:00:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:05)
Show buried residues

Minimal score value
-1.4183
Maximal score value
1.3607
Average score
0.0455
Total score value
0.5006

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 A L 0.2097
1 L L 0.8498
2 H L -0.5312
3 L L 1.1250
4 N L -1.0304
5 G L -0.5386
6 E L -1.4183
7 L L 1.3607
8 A L 0.4655
9 A L 0.1934
10 S L -0.1850
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Laboratory of Theory of Biopolymers 2018