Project name: 3b39c5c257f3d9a

Status: done

Started: 2026-02-08 15:48:10
Settings
Chain sequence(s) L: KGAAYYLALAGWGD
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                                          (00:00:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:10)
Show buried residues

Minimal score value
-2.087
Maximal score value
1.8639
Average score
0.2602
Total score value
3.6423

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 -2.0560
1 G L -0.7655
2 A L -0.0157
3 A L 0.3040
4 Y L 1.5680
5 Y L 1.8639
6 L L 1.8125
7 A L 0.6234
8 L L 1.5693
9 A L 0.4252
10 G L -0.2422
11 W L 1.0775
12 G L -0.4351
13 D L -2.0870
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Laboratory of Theory of Biopolymers 2018