Project name: 1e71b828f1a6ef

Status: done

Started: 2026-02-08 16:00:30
Settings
Chain sequence(s) L: CWPENLWSPFAC
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                                          (00:00:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:05)
Show buried residues

Minimal score value
-2.0458
Maximal score value
1.9059
Average score
0.3782
Total score value
4.538

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
0 C L 0.9433
1 W L 1.0336
2 P L -0.4311
3 E L -2.0458
4 N L -1.0252
5 L L 1.5200
6 W L 1.2301
7 S L 0.0993
8 P L 0.0564
9 F L 1.9059
10 A L 0.5244
11 C L 0.7271
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018