Fig 1.

Transfer free energy ΔΔG^A210 and general position specific transfer free energy scales ΔΔG_(i) were derived using host residues in OmpLA. (a) ΔΔG^A210 (blue bar) calculated at host residue A210 of OmpLA was compared with the experimentally measured Moon-Fleming whole-protein scale¹² (red bar). ΔΔG^A210 correlates well with the whole protein scale $\Delta \Delta G_{w,l}^{\circ }$¹² ( R2 = 0.91 excluding Pro), the biological scale $\Delta \Delta G_{\mathit{app}}^{\mathit{aa}}$ of Hessa et al²⁸ (R² = 0.88 excluding Pro), and the Wimley-White octanol scale ΔΔG_Octanol⁵ (R² = 0.68 excluding Pro). (b)ΔΔG_(i) are derived for all 9 positions in the TM region. For position i, ΔΔG derived from multiple host residues at this same depth-position are averaged to obtain ΔΔG_(i). Host residues with strong context dependency in their transfer free energy scales were excluded from calculation.