Project name: 2aa8764260762cf

Status: done

Started: 2026-02-08 15:53:04
Settings
Chain sequence(s) L: CPDTVDFPDEAPEFPC
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
-1.9947
Maximal score value
1.7042
Average score
-0.1941
Total score value
-3.1048

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 -0.0098
1 P L -0.8553
2 D L -1.9947
3 T L -0.3039
4 V L 1.6640
5 D L -1.0415
6 F L 1.7042
7 P L -0.2755
8 D L -1.3841
9 E L -1.2317
10 A L -0.1770
11 P L -0.5269
12 E L -1.5061
13 F L 1.6427
14 P L 0.2825
15 C L 0.9083
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018