Project name: 1e04cf6a1c6390a

Status: done

Started: 2026-01-24 17:08:57
Settings
Chain sequence(s) L: HEVPSGPNPISN
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
-1.6795
Maximal score value
1.9281
Average score
-0.3342
Total score value
-4.01

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
596 H L -1.3282
597 E L -1.6795
598 V L 1.3922
599 P L 0.0357
600 S L -0.3477
601 G L -0.5537
602 P L -0.5761
603 N L -1.3657
604 P L -0.1282
605 I L 1.9281
606 S L -0.0747
607 N L -1.3122
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Laboratory of Theory of Biopolymers 2018