Table I.

Surface tension parameters (σ) used in the evaluation of the nonpolar solvation term.

Group	Description	σ (kJ/mol Å2)
Hydrophobic sidechain	Residue name: Gly, Ala, Val, Leu, Ile, Met, Pro, Phe, Trp, and the aromatic ring of Tyr	100
Hydrophilic sidechain	Residue name: Ser, Thr, Asn, Gln, Cys, Arg, Asp, His, Lys, Glu, and the hydroxyl group of Tyr	−100
Hydrophobic backbone atoms	Cα-H and carbonyl carbon (C)	100
Hydrophilic backbone atoms	Carbonyl oxygen (O) and amide group (N-H)	−100
Hydrophobic surface atoms	Carbon (C)	100