Project name: 6c386ae158c609b

Status: done

Started: 2026-02-08 09:19:33
Settings
Chain sequence(s) L: CTHGGAQPC
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                                          (00:00:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:04)
Show buried residues

Minimal score value
-1.2321
Maximal score value
0.9092
Average score
-0.2872
Total score value
-2.5852

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
414 C L 0.9092
415 T L -0.1205
416 H L -1.0873
417 G L -0.7714
418 G L -0.5811
419 A L -0.2457
420 Q L -1.2321
421 P L -0.3326
422 C L 0.8763
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018