2012年6月6日 星期三

Residue volume

http://prowl.rockefeller.edu/aainfo/volume.htm


Residue Volume Surface Area Side Chain pKa
A88.6115-
R173.4 225~12
D111.11504.5
N114.1160-
C108.5 1359.1-9.5
E138.41904.6
Q143.8180-
G60.175-
H153.2 1956.2
I166.7175-
L166.7170 -
K168.620010.4
M162.9 185 -
F189.9210 -
P112.7145 -
S89.0 115 -
T116.1140 -
W227.8 255-
Y193.62309.7
V140.0155
 a-amino pKa = 6.8 - 7.9, a-carboxyl pKa = 3.5 - 4.3



References
Volume:
A.A. Zamyatin, Protein Volume in Solution, Prog. Biophys. Mol. Biol. 24(1972)107-123.
Accessible surface area
(calculated for the residue X in the tripeptide G-X-G)
C. Chotia, The Nature of the Accessible and Buried Surfaces in Proteins, J. Mol. Biol., 105(1975)1-14.
pKa:
C. Tandford, Adv. Protein Chem. 17(1962)69-165.

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