Project name: 75c3d42e3921711

Status: done

Started: 2026-01-28 10:59:04
Settings
Chain sequence(s) L: KAQWGGYSELG
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                                          (00:00:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:03)
Show buried residues

Minimal score value
-1.8478
Maximal score value
1.2837
Average score
-0.255
Total score value
-2.805

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 K L -1.8478
1 A L -0.6834
2 Q L -1.1581
3 W L 0.8778
4 G L -0.0778
5 G L -0.1235
6 Y L 1.2837
7 S L -0.4850
8 E L -1.5801
9 L L 1.2052
10 G L -0.2160
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Laboratory of Theory of Biopolymers 2018