Project name: 4abba197faa1e72

Status: done

Started: 2026-01-21 15:40:18
Settings
Chain sequence(s) L: ARTKQTARKS
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                                          (00:00:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:07)
Show buried residues

Minimal score value
-2.1505
Maximal score value
-0.2896
Average score
-1.1853
Total score value
-11.8534

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
731 A L -0.2896
732 R L -1.8435
733 T L -0.7134
734 K L -1.9331
735 Q L -1.5271
736 T L -0.2963
737 A L -0.5101
738 R L -2.1505
739 K L -2.0724
740 S L -0.5174
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Laboratory of Theory of Biopolymers 2018