Project name: 94b744e86244744

Status: done

Started: 2026-01-21 15:39:48
Settings
Chain sequence(s) L: PPGPPGPPG
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                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:01)
Show buried residues

Minimal score value
-0.5752
Maximal score value
-0.3005
Average score
-0.4498
Total score value
-4.048

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
449 P L -0.3005
450 P L -0.3879
451 G L -0.5607
452 P L -0.3868
453 P L -0.3885
454 G L -0.5608
455 P L -0.4680
456 P L -0.4196
457 G L -0.5752
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Laboratory of Theory of Biopolymers 2018