Project name: 3428f8021145147

Status: done

Started: 2026-01-21 15:39:53
Settings
Chain sequence(s) L: DEEALKQLAEWVS
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                                          (00:00:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:13)
Show buried residues

Minimal score value
-2.3567
Maximal score value
1.9563
Average score
-0.4756
Total score value
-6.1824

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
358 D L -2.1186
359 E L -2.3567
360 E L -2.1393
361 A L -0.2081
362 L L 0.5824
363 K L -1.5834
364 Q L -1.1931
365 L L 1.3373
366 A L -0.1669
367 E L -1.5955
368 W L 1.1878
369 V L 1.9563
370 S L 0.1154
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018