Project name: 8f3975a79637a97

Status: done

Started: 2026-01-21 15:41:27
Settings
Chain sequence(s) L: KRKRKRKRKR
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with L chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:30)
Show buried residues

Minimal score value
-2.4736
Maximal score value
-2.0366
Average score
-2.3599
Total score value
-23.599

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
666 K L -2.0366
667 R L -2.4668
668 K L -2.3773
669 R L -2.4692
670 K L -2.3795
671 R L -2.4704
672 K L -2.3803
673 R L -2.4736
674 K L -2.3851
675 R L -2.1602
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018