Calculations of Water Accessible Surface Area and Hydrophobicity of Conformers of Peptides and Drawing of Their Steric Views by the Ray Tracing Method

The peptide molecule having certain amino acid sequence takes various conformations and changes the state of the molecular surface. Therefore, in order to detect the character of the molecular surface of the peptide, programs for calculation of the surface area as the water accessible surface area, the hydrophobicity, the hydrophilicity, the hydrophobic vector and the electrostatic charges of a peptide molecule were prepared. Furthermore, in order to get the visual images of peptide surfaces, a program was prepared for displaying the peptide molecule. These programs can be executed on a personal computer and their proprieties were confirmed by several trials.

Peptide

computer processing

accessible surface area

display of peptide molecure

hydrophobicity of peptide