Table 2.

Atom scaling factors. Optimized a_i values for each peptide atom type.

Amino acid atom type	ai
CT3 carbon	0.25
CT2 carbon	0.45
CT1 carbon	0.55
Aromatic carbon on the phenyl ring	0.2
Aromatic carbon in His	0.4
Other aromatic carbons	0.2
Carbonyl carbons	0.4
Carbon of methyl group (Ala analog)	0.7
Hydroxyl oxygen of Tyr	0.73
Other hydroxyl oxygens	0.75
Nitrogen in Trp	0.15
Other nitrogens	0.23
Hydroxyl hydrogens	0.75
Aromatic hydrogens	0.15
Hydrogen in the H-S bond	0.5
Hydrogen of methyl group (Ala analog)	0.68
Other hydrogens	0.48
Sulfur in Met	0.18
Sulfur in Cys	0.43
Phosphorus	0.38