Project name: 994f86d73a04766

Status: done

Started: 2026-01-28 10:57:45
Settings
Chain sequence(s) L: SFPAYYGPNGFFD
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with L chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:06)
Show buried residues

Minimal score value
-1.4806
Maximal score value
2.2854
Average score
0.3905
Total score value
5.0765

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 S L -0.3485
1 F L 0.9671
2 P L 0.1012
3 A L 0.4693
4 Y L 1.5355
5 Y L 1.5375
6 G L 0.0709
7 P L -0.6231
8 N L -1.3522
9 G L -0.0595
10 F L 2.2854
11 F L 1.9735
12 D L -1.4806
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Laboratory of Theory of Biopolymers 2018