H Bond between GLU OE1 and ASP OD2

Dear users,

In a model I got with MODELLER, there is a potential hydrogen bond between oxygens of a glutamate and an aspartate (or the respective acids). However there is supposedly an important electrostatic repulsion.

In the template the aspartate is replaced by a glycine. There is room for several of the glutamate conformers. Is it normal that MODELLER made the choice to keep the original conformer of the glutamate even with the unfavourable electrostatic environment?

Regards,

-- Dr Nicolas Le Novère http://www-alt.pasteur.fr/~lenov Dpt of Zoology, Univ of Cambridge, Downing street, Cambridge CB2 3EJ, UK tel: +44 1223 336623 fax: +44 1223 336676 e-mail: nl223@cus.cam.ac.uk