Project name: 319536d5de4691b

Status: done

Started: 2025-12-09 12:25:59
Settings
Chain sequence(s) L: PPFVPSKKGWSPYL
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]                                                (00:00:03)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:03)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with L chain(s) selected             (00:00:03)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:03)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:19)
Show buried residues

Minimal score value
-2.0677
Maximal score value
1.983
Average score
0.1441
Total score value
2.0169

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
287 P L 0.0631
288 P L 0.0327
289 F L 1.9830
290 V L 0.8185
291 P L -0.0766
292 S L -0.5785
293 K L -2.0524
294 K L -2.0677
295 G L -0.4065
296 W L 1.1319
297 S L 0.0000
298 P L -0.0118
299 Y L 1.5341
300 L L 1.6471
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Laboratory of Theory of Biopolymers 2018