Applying generalized hydrophobicity scale of amino acids to quantitative prediction of human leukocyte antigen-A*0201-restricted cytotoxic T lymphocyte epitope

摘要

Derived from 149 hydrophobic factors of 20 natural amino acids, a novel amino acid descriptor termed as generalized hydrophobicity scale (GH-scale) was proposed by principal component analysis (PCA). Via genetic algorithm-partial least square (GPLS) method, quantitative structure-activity relationship (QSAR) model was constructed by GH-scale for 152 human leukocyte antigen (HLA)-A*0201-restricted cytotoxic T lymphocyte (CTL) epitopes with the model estimated and cross-validated correlative coefficients of R_2 = 0.813 and Q_2 = 0.725, respectively. It was indicated that hydrophobic interaction played an important role in HLA-A*0201-CTL interaction, prominently at anchor residues.