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Protein sequence(s) DENKQKALAAALGQIEKQFGKGSIMRLGEDRSMDVETISTGSLSLDIALGAGGLPMGRIVEIYGPESSGKTTLTLQVIAAAQREGKTCAFIDAEHALDPIYARKLGVDIDNLLCSQPDTGEQALEICDALARSGAVDVIVVDSVAALTPKAEIEGLAARMMSQAMRKLAGNLKQSNTLLIFINQTGGNALKFYASVRLDIRRIGAVKEGENVVGSETRVKVVKNKIAAPFKQAEFQILYGEGINFYGELVDLGVKEKLIEKAGAWYSYKGEKIGQGKANATAWLKDNPETAKEIEKKVRELLL
Peptide sequence VQHQLKKHEIAGIVANK
Peptide secondary structure psipred CCCCCCHHHHCCEECCC
Flexible regions
Unlikely to bind regions
Exclude wrong poses from the simulation
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Laboratory of Computational Biology, 2020