Project name: dc3538681c4275a

Status: done

Started: 2026-02-08 15:52:38
Settings
Chain sequence(s) L: AGFNDYFLLEQKG
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                                          (00:00:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:10)
Show buried residues

Minimal score value
-2.0374
Maximal score value
2.3966
Average score
-0.0419
Total score value
-0.5441

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 A L -0.0192
1 G L -0.0766
2 F L 1.6636
3 N L -1.0657
4 D L -1.7854
5 Y L 1.3392
6 F L 2.3966
7 L L 1.5818
8 L L 0.6957
9 E L -0.7290
10 Q L -1.3952
11 K L -2.0374
12 G L -1.1125
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Laboratory of Theory of Biopolymers 2018