Project name: fcd7600438107d8

Status: done

Started: 2026-02-08 15:57:40
Settings
Chain sequence(s) L: SIWRDKAPEYYM
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]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with L chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:15)
Show buried residues

Minimal score value
-2.4502
Maximal score value
2.1892
Average score
-0.2109
Total score value
-2.5307

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 0.3455
1 I L 2.1892
2 W L 1.2238
3 R L -1.9093
4 D L -2.4502
5 K L -2.2591
6 A L -0.2637
7 P L -0.5155
8 E L -1.8020
9 Y L 1.0792
10 Y L 0.7294
11 M L 1.1020
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Laboratory of Theory of Biopolymers 2018