Backbone bond angle data

Maria Ortner maria at Zenzi.came.sbg.ac.at
Fri May 16 02:08:35 EST 1997


cweiss1 at umbc.edu (Christopher Weiss) writes:
> I need protein backbone bond angle and bond length data.  Not 
> tortional angles.
> Angles and lengths needed:
> N-terminus H-N-H
> N-terminus H-N-C
> N-Calpha-H
> N-Calpha-C(carboxyl)
> O=C-Calpha
> O=C-N
> H-N-H (in peptide bond)
> C-N-Calpha
> C-terminus Calpha-C=O
> C-terminus Calpha-C-O
> C-terminus O=C-O
> 
> Did I miss any?
> 
> Thanks,
> Christopher
> 

Try this paper:
Engh, R. R. & Huber, R. (1991). Accurate bond and angle 
parameters for x-ray protein structure refinement. Acta 
Crystallographica Section A, 47, 392-400. 

I extracted some data from this paper for my own use, but more
can be found in this paper. Here is a table of some 
bond angles I extracted:

Atoms    Name of the atoms in Engh&Huber       Value 
----------------------------------------------------
N-Ca-C   C-CH1E-NH1                            111.2 
Ca-C-O   CH1E-C-O                              120.8 
N-Ca-Cb  CH3E-CH1E-NH1                         110.4 
C-Ca-Cb  C-CH1E-CH3E                           110.5 
Ca-C-N   CH1E-C-NH1                            116.2 
O-C-N    NH1-C-O                               123.0 
C-N-Ca   C-NH1-CH1E                            121.7 
N-Ca-C   C-CH1E-NH1                            111.2 

Hope that helps,
Maria
-- 
--------------------------------------------------
Maria Ortner                            
Center of Applied Molecular Engineering              
University of Salzburg, Austria         
Maria.Ortner at came.sbg.ac.at             




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