Normalized lipophilicity and solvent accessible surface area (SASA) values for natural and modified amino acids, assuming maximal side-chain exposure.
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aScaled parameter = (raw parameters+3.800)/6.457, where the value of 3.800 is the raw parameter value for logP(Arg+) and the value of 6.457 is the sum of the absolute values of two raw parameters, logP(Arg+) and logP(Ile).
The normalized parameter values are equal to the scaled parameter values minus the scaled parameter value for logP(Gly).
bThe SASA of amino acid (X) is the exposed solvent-accessible surface area of its side chain in the tripeptide Gly-X-Gly, assuming that ψ = φ = 180°.
Cα was not considered to be part of the side chain of X.
cOxidized cysteine (Cys) has 50% of the lipophilicity of cystine (Css), i.e. the oxidized dimer of cysteine.
logP(Cys) = [logP(Css)]/2, where logP(Css) = logP(CH2-S-S-CH2).
dlog(Gly) = log(H).
eAt pH = 7.4, histidine exists in protonated (His+) and unprotonated forms (His0) with mole fractions of 11.2% and 88.8%, respectively.
logP(His) = logP(His+)⋅mole fraction (His+)+logP(His0)⋅mole fraction (His0).
flog(Pro) = log(CH2-CH2-CH2-N).
gAck: acetylated lysine.
hCdr+: modified arginine with 1,2-cyclohexanedione.
iKyw: kynurenine, a metabolite of tryptophan.
jMee: methyl-δ-glutamate.
创建时间:
2014-03-28



