Project name: a20c2c1a45eafec

Status: done

Started: 2026-02-08 09:20:00
Settings
Chain sequence(s) L: KSGVVGPVPGSD
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                                          (00:00:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:02)
Show buried residues

Minimal score value
-1.8606
Maximal score value
2.0115
Average score
-0.0815
Total score value
-0.9781

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
213 K L -1.7382
214 S L -0.6021
215 G L -0.1786
216 V L 2.0103
217 V L 2.0115
218 G L -0.1907
219 P L -0.1046
220 V L 1.1843
221 P L -0.3437
222 G L -0.5504
223 S L -0.6153
224 D L -1.8606
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Laboratory of Theory of Biopolymers 2018