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[ccp4bb]: Tables of amino acid volumes
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Many thanks to all those who helped me with finding tables of amino
acid volumes. The following information was very helpful and since a
few people asked "me too" here is what I found with attribution
Structure 1994 Jul 15;2(7):641-9 Volume changes on protein folding.
Harpaz Y, Gerstein M, Chothia C
Andersson & Hovm÷ller (1998). The average atomic volume and density
of proteins. Z. Kristallogr. 213, 369-273. Also the latest Acta Cryst
A very rough but not too bad approximation is to say that the average
volume of any atom including H is 10A**3, and get it from there.
Eleanor J. Dodson
Proteins: Structure and molecular properties by Thomas E. Creighton. Second Ed
Darren D'Arcy, Ilana M. Nodelman, Daniel Picot, David J. Schuller
The values in Creighton are derived from Chothia, C. (1975)
Structural invariants in protein folding. Nature 254 304--308 which
is an interesting paper in its own right.
David Schuller also sent me some fortran code for calculating side
chain volumes which proved very useful.
Craig Marshall mailto:firstname.lastname@example.org
Biochemistry Department http://biochem.otago.ac.nz/staff/marshall/cmarshall.htm
University of Otago Phone +64 3 479 7570 Fax +64 3 479 7866