Project name: bc24d6bb787065b

Status: done

Started: 2026-01-28 10:56:04
Settings
Chain sequence(s) L: LTPIGSWYLMLKPK
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                                          (00:00:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:04)
Show buried residues

Minimal score value
-1.5752
Maximal score value
1.9287
Average score
0.4206
Total score value
5.8882

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 L L 1.2279
1 T L 0.3344
2 P L 0.0000
3 I L 1.9287
4 G L -0.1311
5 S L -0.0131
6 W L 1.5345
7 Y L 1.8131
8 L L 1.8243
9 M L 0.5674
10 L L 0.7394
11 K L -1.5752
12 P L -0.8886
13 K L -1.4735
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Laboratory of Theory of Biopolymers 2018