Project name: 74543fe27493f5f

Status: done

Started: 2026-01-28 10:56:38
Settings
Chain sequence(s) L: GNIRGLWFFM
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                                        (00:00:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:10)
Show buried residues

Minimal score value
-0.9987
Maximal score value
2.3997
Average score
0.6726
Total score value
6.7264

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 G L -0.5103
1 N L -0.9911
2 I L 1.4521
3 R L -0.9987
4 G L -0.5674
5 L L 1.3698
6 W L 1.4703
7 F L 1.7741
8 F L 2.3997
9 M L 1.3279
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Laboratory of Theory of Biopolymers 2018