Table 1 Ranges of values for the inner pore wall, outer pore wall, and overall hydrophobicity scores

From: PoreDesigner for tuning solute selectivity in a robust and highly permeable outer membrane pore

Designs

Inner pore wall hydrophobicity scorea \({\mathrm{\Delta }}G_{{\rm {transfer}}}^{{\rm{water}} \to {\rm {ethanol}}}({\rm {kcal}}/{\rm {mol}})\)

Outer pore wall hydrophobicity score \({\mathrm{\Delta }}G_{{\rm {transfer}}}^{{\rm {water}} \to {\rm {ethanol}}}({\rm {kcal}}/{\rm {mol}})\)

Overall hydrophobicity score \({\mathrm{\Delta }}G_{{\rm{transfer}}}^{{\rm {water}} \to {\rm {ethanol}}}({\rm {kcal}}/{\rm {mol}})\)

CSD

−97.7

−76.5

−174.2

OCD

−69.2

−81.2

−150.4

UCD

−65.6

−71.3

−136.9

Wild type

−61.3

−68.5

−129.8

  1. aA higher negative value represents a higher hydrophobicity58. This scale reports the free energies of transfer of different amino acid side chains from water phase to ethanol. As a result, the hydrophobic amino acids have a lower free energy of transfer than charged amino acids
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