Table 1 Numerical data for X–H···Y contacts with H···Y < 3.0 Å (2.7 Å for
H···H contacts). Data for normalised H-atom positions
Mean Mean Mean
Contact type Number H···Y (Å) X···Y (Å) X–H···Y (°)
C(sp3)–O–H···ONC 3330 1.974(6) 2.837(4) 154.0(4)
CáC–H···ONC 44 2.36(4) 3.31(2) 152(2)
CNCH2···ONC 124 2.67(1) 3.56(2) 143(1)
CH2–CH3···ONC 767 2.761(6) 3.590(7) 137.1(7)
CH2–CH3···H–C 3975 2.500(2) 3.246(4) 128.6(3)
ref:Chem. Commun., 1998 891
On Thu, Feb 19, 2009 at 7:48 PM, Jim Fairman <fairman....@gmail.com> wrote:
> Fellow CCP4 Board Members,
>
> What is the general consensus of the structural biology community for a
> range of distances that would be considered a Van der Waals
> contact/interaction (eg: hydrogen bonds are usually considered to be 2.5-3.5
> angstroms not including the hydrogen atoms)?
>
> Cheers, Jim
>
> --
> Jim Fairman
> Graduate Research Assistant
> Department of Biochemistry, Cellular, and Molecular Biology (BCMB)
> University of Tennessee -- Knoxville
> 216-368-3337 jfair...@utk.edu james.fair...@case.edu
>
--
Pius S Padayatti
Scientist,
Polgenix, Inc.
11000 Cedar Ave, Suite 260
Cleveland, OH 44106
Phone: 216-658-4528
Fax: 216-658-4529
