Hi. This is Chaitanya from Centre for Cellular and Molecular Biology, Hyderabad, INDIA. I am facing a weird problem in orienting multiple-domain protein using N-H RDCs.
I have a system with two domains and a flexible linker connecting them (of around 40 aa length), there are absolutely no interdomain NOEs. When I calculated some 100 structures including N-H RDCs of the individual domains, top 30 structures show similar orientation of the domains. I wonder when I use only one set of RDCs (NH RDCs with no interdomain contacts), how the top 30 structures can attain one possible orientation. I am using a script similar to anneal.inp from protG folder of Xplor-NIH.2.27. Regards, Chaitanya. -- Sai Chaitanya Chiliveri Ph.D Student Centre for Cellular and Molecular Biology (CCMB). Uppal Road, Hyderabad-007, A.P, INDIA.
_______________________________________________ Xplor-nih mailing list [email protected] http://dcb.cit.nih.gov/mailman/listinfo/xplor-nih
