Supplementary Figure 1: 3D structure determination by the hybrid EC-NMR method.
From: Protein structure determination by combining sparse NMR data with evolutionary couplings
The hybrid EC-NMR strategy combines Evolutionary Coupling (EC) information with sparse experimental nuclear magnetic resonance (NMR) data. Sparse NMR data typically includes backbone (HN, 15N, 13Cα, 13Cb, 13C’), sidechain amide 15N-1H, and in some cases some sidechain methyl resonance assignments, together with NOESY and 15N-1H residual dipolar coupling (RDC) data. The EC and NMR data are iteratively analyzed and refined to identify false-positive EC contacts, and to resolve ambiguities in the assignment of NOESY cross peaks, providing an expanded list of inferred residue pair contacts of higher accuracy than those available from either method alone. This information is then used to guide restrained energy refinement to provide accurate protein structures.
