Project name: 90dc5995d9fe3d2

Status: done

Started: 2026-02-08 15:48:09
Settings
Chain sequence(s) L: KAYADWWNGGD
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                                          (00:00:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:07)
Show buried residues

Minimal score value
-1.9058
Maximal score value
1.3375
Average score
-0.4514
Total score value
-4.9659

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 -1.6897
1 A L 0.0245
2 Y L 1.3375
3 A L -0.0351
4 D L -1.6320
5 W L 0.6791
6 W L 0.9940
7 N L -1.0993
8 G L -0.4673
9 G L -1.1718
10 D L -1.9058
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Laboratory of Theory of Biopolymers 2018