Project name: 5b42ab6ec38fe08

Status: done

Started: 2025-12-07 14:11:16
Settings
Chain sequence(s) L: KNVLADGFGKPYD
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                                          (00:00:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:11)
Show buried residues

Minimal score value
-1.9312
Maximal score value
1.8779
Average score
-0.2538
Total score value
-3.2992

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
419 K L -1.9312
420 N L -1.2626
421 V L 1.8271
422 L L 1.8779
423 A L -0.0079
424 D L -1.8441
425 G L -0.3447
426 F L 1.8290
427 G L -0.4317
428 K L -1.8483
429 P L -0.5556
430 Y L 0.9443
431 D L -1.5514
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Laboratory of Theory of Biopolymers 2018