Project name: a96808c7fcd39ef

Status: done

Started: 2025-12-09 07:17:06
Settings
Chain sequence(s) L: KFVSPYNTYD
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with L chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:13)
Show buried residues

Minimal score value
-1.551
Maximal score value
2.1147
Average score
0.3788
Total score value
3.7882

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
263 K L -1.3429
264 F L 1.9488
265 V L 2.1147
266 S L 0.2300
267 P L -0.0253
268 Y L 1.2691
269 N L 0.0000
270 T L 0.1667
271 Y L 0.9781
272 D L -1.5510
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Laboratory of Theory of Biopolymers 2018