Project name: bd0c65c88127492

Status: done

Started: 2026-02-08 09:21:37
Settings
Chain sequence(s) L: KDGTTATPTD
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.                                          (00:00:06)
Show buried residues

Minimal score value
-2.1924
Maximal score value
0.0327
Average score
-0.788
Total score value
-7.8802

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
725 K L -2.0358
726 D L -2.1924
727 G L -0.8016
728 T L -0.1689
729 T L -0.0732
730 A L 0.0327
731 T L -0.1064
732 P L -0.2807
733 T L -0.4513
734 D L -1.8026
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Laboratory of Theory of Biopolymers 2018