Table 5.
Solvation parameters determined for different types of atoms (see Materials and Methods)
σ (cal/mole Å2) | ||||||
Combination of media | Nsolutea | C-aliph | C-arom | N | O | S |
Water–decadiene | 16 | 13 ± 3b | 19 ± 2 | −53 ± 3 | −57 ± 3 | |
Water–hexadecene | 16 | 13 ± 4b | 19 ± 2 | −55 ± 4 | −63 ± 4 | |
Water–hydrocarbons | 34 | 22 ± 1 | 18 ± 1 | −66 ± 2 | −72 ± 2 | −13 ± 7 |
Water–lipidc | 25 | 19 | −55 | −63 | −13 | |
Water–proteind | 19 | 7 | −21 | −66 | −1 | |
Lipid–proteine | −6 | −12 | 34 | −3 | 12 |
a Number of solutes applied for fitting.
b These values must be disregarded, because the solutes, whose transfer energies were applied for fitting, had few aliphatic carbons.
c Water–lipid parameters were selected as described in the text.
d Parameters obtained from protein engineering data (Lomize et al. 2002).
e The differences of values from two upper rows.