Project name: de47ad7aab7938d

Status: done

Started: 2025-12-07 14:11:21
Settings
Chain sequence(s) L: KDIFVYFKSDKAD
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                                          (00:00:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:21)
Show buried residues

Minimal score value
-2.1273
Maximal score value
2.4154
Average score
-0.0526
Total score value
-0.6835

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
336 K L -2.0303
337 D L -1.7382
338 I L 2.0006
339 F L 2.4154
340 V L 2.3267
341 Y L 1.9916
342 F L 2.0252
343 K L -0.5346
344 S L -0.6498
345 D L -2.1273
346 K L -2.0123
347 A L -0.5717
348 D L -1.7788
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Laboratory of Theory of Biopolymers 2018