Project name: ea641edd8484580

Status: done

Started: 2026-01-28 10:56:17
Settings
Chain sequence(s) L: CTDPAFAFAVEYAC
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                                          (00:00:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:03)
Show buried residues

Minimal score value
-1.8495
Maximal score value
2.04
Average score
0.3727
Total score value
5.2181

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 0.6850
1 T L -0.2224
2 D L -1.8495
3 P L -0.5803
4 A L 0.4048
5 F L 1.9607
6 A L 0.9534
7 F L 2.0400
8 A L 0.5114
9 V L 0.6230
10 E L -1.4390
11 Y L 0.9727
12 A L 0.4190
13 C L 0.7393
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018