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. 2018 Feb 5;150(2):307–321. doi: 10.1085/jgp.201711882

Table 1. Correlation coefficients between VSD and PD voltage dependence–related fitted and calculated parameters and AA scales.

Scale type and code L358X L361X
V0 V1 V1/2 E0 E1 S V0 V1 V1/2 E0 E1 S
Hydrophobicity scales
GESa 0.78 0.78 0.72 0.80 -0.19 -0.69 0.81 0.66 0.59 0.63 0.34 -0.22
HHb 0.73 0.81 0.74 0.71 -0.14 -0.63 0.78 0.59 0.56 0.66 0.32 -0.28
KDc 0.69 0.69 0.63 0.70 -0.25 -0.67 0.81 0.72 0.70 0.70 0.49 -0.07
MCd 0.73 0.81 0.74 0.74 -0.10 -0.63 0.77 0.57 0.53 0.54 0.27 -0.21
MFe 0.66 0.71 0.76 0.75 -0.27 -0.76 0.94 0.63 0.53 0.70 0.41 -0.23
WHPf 0.73 0.54 0.44 0.63 -0.48 -0.75 0.79 0.85 0.80 0.62 0.62 0.04
WWg 0.81 0.92 0.78 0.75 0.08 -0.55 0.63 0.41 0.34 0.45 0.09 -0.38
Size scales
ASAh -0.7 -0.67 -0.66 -0.70 0.29 0.71 -0.88 -0.76 -0.74 -0.65 -0.5 0.03
Lengthi -0.17 0.05 0.09 -0.10 0.36 0.32 -0.27 -0.80 -0.82 -0.25 -0.82 -0.65
Widthj 0.07 0.38 0.31 0.16 0.45 0.10 -0.05 -0.58 -0.71 -0.28 -0.78 -0.65
Volumek 0.15 0.46 0.37 0.20 0.36 0.05 0.02 -0.57 -0.67 -0.06 -0.75 -0.79

Spearman correlation coefficients (rS) were calculated between each set of 20 voltage-dependent parameters and the indicated AA scale. Values of rS ≥0.7 or ≤−0.7, denoting very strong correlation, are shown in bold.

a

Goldman-Engelman-Steitz transfer free energies water–oil for AA side chains in ahelical polypeptides (Engelman et al., 1986).

b

Hessa-Hejne ΔG scale derived from H-segments with the indicated AA placed in the middle of the 19-residue hydrophobic stretch (Hessa et al., 2005).

c

Kyte and Doolittle hydropathy index derived from water-vapor transfer ΔG and interior–exterior distribution of AA side chains previously determined (Kyte and Doolittle, 1982).

d

Miller-Chothya transfer ΔG between the protein surface and interior (Miller et al., 1987).

e

Moon-Fleming water-to-bilayer transfer ΔG for the AA side chain (Moon and Fleming, 2011).

f

Wolfenden hydration potential: transfer ΔG of the AA side chain only from vapor to water (Wolfenden et al., 1981).

g

Wimley-White transfer ΔG of peptide AcWL-X-LL (X = AA) from bilayer interface to water (Wimley and White, 1996).

h

Median values of total ASA, in angstroms squared, of whole residues in ahelical structures (Lins et al., 2003).

i

STERIMOL length of the side chain (Fauchère et al., 1988).

j

STERIMOL width of the side chain (Fauchère et al., 1988).

k

Van de Waals volume of the residue (Nölting, 1999).