Mustguseal

Mustguseal constructs large-scale, structure-guided sequence alignments to enable comparative analysis of homologous proteins within functionally diverse superfamilies.

Key Features:

• Structure-guided alignment: Leverages structural and sequence data to produce structure-guided sequence alignments, combining protein structure superimposition for distant relatives and sequence alignment for close homologues.
• Large-scale coverage: Automatically constructs alignments for protein families comprising thousands of members.
• Residue-level analysis integration: Integrates with complementary analysis tools to identify conserved, subfamily-specific, and co-evolving residues.
• Design support: Supports identification of sequence and structural determinants for enzyme variant design and selective ligand development.

Scientific Applications:

• Structure–function relationship studies: Analyzes conserved and co-evolving residues to elucidate structure–function relationships within protein families.
• Enzyme engineering: Identifies sequence and structural determinants to guide design of improved enzyme variants.
• Ligand design: Supports development of selective ligands aimed at modulating protein functional properties.

Methodology:

Integrates available structural and sequence information by superimposition of protein structures and sequence alignment to build final structure-guided sequence alignments.