Subject: Helix Dipole

From: [email-masked] (Gerard Jensen)
Date: Tue, 19 Apr 94 10:57:31 -0700

Dear Net-people,

In response to:

********************************************************************
Dear Networkers

Is there any way to calculate the dipole on a helix
in a protein.  Several papers I have read recently talk
about the importance of the helix-dipole but none quantify
this value.

THANKS

Margaret Wong
********************************************************************

In response to the above, fewer and fewer people I think believe in 
the so-called macrodipole anymore.  A nice alternative was presented 
by Aqvist and Warshel cited below.

 AQVIST J; LUECKE H; QUIOCHO FA; WARSHEL A.
      DIPOLES LOCALIZED AT HELIX TERMINI OF PROTEINS STABILIZE CHARGES.
      PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF
    AMERICA, 1991 MAR, V88 N5:2026-2030.

---------------------------------------------------------------------------------

  stereo pair       stereo pair           Gerard M. Jensen, Ph.D. 
                                          The Scripps Research Institute-MB8 
    H    H             H  H               Department of Molecular Biology  
    \    |             |  \               10666 N. Torrey Pines Road 
  H--C---C--H      H---C---C---H          La Jolla, California, 92037 
    /    |             |  /               [email-masked] 
    H    H             H  H               Ph: 619-554-4325 Fax: 619-554-6188  
                                      
---------------------------------------------------------------------------------