Project name: 9cc55dc26bfbeb7

Status: done

Started: 2025-12-09 12:27:00
Settings
Chain sequence(s) L: KLVNVND
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with L chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:13)
Show buried residues

Minimal score value
-2.0163
Maximal score value
1.8223
Average score
-0.1401
Total score value
-0.9808

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
78 K L -1.5610
79 L L 1.5565
80 V L 1.8223
81 N L -0.8232
82 V L 1.3074
83 N L -1.2665
84 D L -2.0163
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Laboratory of Theory of Biopolymers 2018