Project name: ac1e2e55589f334

Status: done

Started: 2025-12-09 12:25:59
Settings
Chain sequence(s) L: FQDSWSPYMSQLA
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                                          (00:00:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:17)
Show buried residues

Minimal score value
-2.034
Maximal score value
1.7306
Average score
0.1018
Total score value
1.3232

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
8 F L 1.7306
9 Q L -1.1689
10 D L -2.0340
11 S L -0.2425
12 W L 1.1463
13 S L 0.0828
14 P L -0.0304
15 Y L 1.2964
16 M L 0.4697
17 S L -0.4040
18 Q L -1.0388
19 L L 0.9142
20 A L 0.6018
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Laboratory of Theory of Biopolymers 2018