Project name: f461eab08c9bf86

Status: done

Started: 2026-02-08 15:57:22
Settings
Chain sequence(s) L: GDTDVYPKWAY
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                                          (00:00:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:06)
Show buried residues

Minimal score value
-1.8648
Maximal score value
1.442
Average score
0.0718
Total score value
0.7902

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 -0.2821
1 D L -1.8648
2 T L -0.7061
3 D L -1.5254
4 V L 1.3851
5 Y L 1.4420
6 P L -0.0481
7 K L -0.4444
8 W L 1.0615
9 A L 0.5092
10 Y L 1.2633
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Laboratory of Theory of Biopolymers 2018