Exact solutions for internuclear vectors and backbone dihedral angles from NH residual dipolar couplings in two media, and their application in a systematic search algorithm for determining protein backbone structure.

Lincong Wang and Bruce R. Donald

Journal of Biomolecular NMR, 2004; 29: 223-242.

Stereo view of backbone superposition. The portion of RDC-derived structure (blue) consisting of the helix (N25–E34) and the single sheet can be superimposed with the corresponding portion (magenta) from the X-ray structure with a backbone RMSD = 1.21 Å. The single sheet is composed of five strands (Q2–T7, K11–V17, N41–F45, K48–E51 and S65–V70), which can be superimposed with the corresponding sheet from the X-ray structure (Vijay-Kumar et al. 1987) with a backbone RMSD of 1.17 Å.