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. 2004 Oct;13(10):2600–2612. doi: 10.1110/ps.04850804

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.