Contributors: Chester
HotSpot Wizard analysis
Used HotSpot Wizard to identify candidate mutagenesis residues in the GH10/Cex domain (Project A target).
Column definitions used:
| Column | Meaning |
|---|---|
| Mutable | HotSpot Wizard mutability prediction |
| Non-essential | Whether mutation would preserve protein function |
| Tunnel | Residue controls substrate entry/exit to catalytic site |
| Catalytic pocket | Residue lies in active site and binds substrate directly |
Selection constraint: A residue must be (1) non-essential AND (2) in the tunnel and/or catalytic pocket to be a viable target. Catalytic activity depends on both localisation and binding.
Targets identified
ASP131 and ASN172 identified as mutable and meeting the selection constraint.
Neutral/beneficial mutation candidates calculated via homology searching, variability evaluation, statistical analysis, and catalytic residue identification. Compiled into a mutation list for FoldX using the notation DA131A (aspartate at position 131 → alanine); semicolon-separated, each entry generates a separate output PDB in FoldX.
[Attachment: individual_list.txt — full mutation list for FoldX input]