Project name: 6eedb20f19439ea

Status: done

Started: 2026-02-08 15:50:07
Settings
Chain sequence(s) L: CGEDFGAMGSFFCC
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with L chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:07)
Show buried residues

Minimal score value
-2.0149
Maximal score value
2.4582
Average score
0.4851
Total score value
6.791

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 0.4208
1 G L -0.7460
2 E L -2.0149
3 D L -0.5804
4 F L 1.7518
5 G L -0.0935
6 A L 0.3641
7 M L 0.9782
8 G L -0.2890
9 S L 0.1836
10 F L 2.2857
11 F L 2.4582
12 C L 1.2081
13 C L 0.8643
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Laboratory of Theory of Biopolymers 2018