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. 2023 Oct 4;299(11):105314. doi: 10.1016/j.jbc.2023.105314

Figure 1.

Figure 1

Comparison of CS-Rosetta and NOE-derived structures.A, sequence alignment of N-terminal (residues 38–119) and C-terminal (residues 124–212) domains of AlgFPa30-216. Identical residues are shaded in black, similar residues are shaded in gray. Secondary structure elements are shown for each domain with secondary structure elements labeled across the top. B, superposition of the lowest energy CS-Rosetta (N-terminal, blue; C-terminal, purple) and NOE-based CYANA structures (lowest energy model in dark gray). The terminal residues are labeled. C, contact map analysis between the CS-Rosetta and NMR determined models. The inter-residue contacts observed in the NMR restraint–derived model and the CS-Rosetta–derived model are shown in gray asterisks and black circles, respectively. The inter-residue contacts are closely mirrored in structures determined by either method showing the similarity shared by the structures determined by independent methods. NOE, nuclear Overhauser effect.