[gmx-users] Helix Tilt Calculation
reach.anirban.ghosh at gmail.com
Sat Jun 5 10:10:03 CEST 2010
Thanks XAvier and George for the reply. Yes the N and C terminus are on the
opposite sides of the bilayer. So I can take the values of the even TMs as
(180 - respective value), correct?
On Fri, Jun 4, 2010 at 8:00 PM, George Khelashvili
<gek2009 at med.cornell.edu>wrote:
> Your 150 degree angle is in reality 30 degrees (180-30). This is a matter
> of defining the vector representing your helix vs. the direction of the z
> axis. If your vector points in the opposite direction of the z axis, then
> your angle will be between 90 and 180 degrees.
> Anirban Ghosh wrote:
>> Hi ALL,
>> I am using g_angle to calculate the tilt of individual helix in a
>> rhodopsin GPCR with respect to z axis. In the index file I am defining the
>> top and bottom of each helix with first 4 and last 4 residues of that helix
>> respectively. Strangely, I am getting the tilt angle of the odd helices like
>> TM1, 3 and 5 in the range of 30 degrees, but the even helices TM2, 4 and 6
>> are giving value in the range of 150 degrees. But visual inspection of the
>> simulation does not show such huge deviation. Why is it giving so? Am I
>> doing anything wrong here? Any suggestion is welcome. Thanks a lot in
> George Khelashvili, Ph.D.
> Department of Physiology and Biophysics
> Weill Medical College of Cornell University
> 1300 York Avenue, Room LC501
> New York, NY, 10065, USA
> gek2009 at med.cornell.edu
> Phone: 1-212-746-6539
> Fax: 1-212-746-6226
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