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. Author manuscript; available in PMC: 2021 Jul 6.
Published in final edited form as: J Am Chem Soc. 2019 Aug 5;141(32):12634–12647. doi: 10.1021/jacs.9b04470

Figure 6 –

Figure 6 –

Three key interactions that form upon loop closure are shown in stick. NCI interactions are generated for A) D181 and F182, B) W179, P180, and P185, and C) S187, P188, and F191. Attractive interactions are highlighted with a blue arrow and listed: 1) Type II reverse turn formed in the closed state defined by the hydrogen bond (shown as dashed line) formed between C’ of P180 and HN of G183, 2) CH-π interaction between W179 and P185, 3) α – helical N-capping hydrogen bond is observed between the C’ of S187 and HN of F191. Repulsive interactions are shown with red arrows and listed: 1) Steric hindrance observed between Cβ of F182 and the loop backbone and side chain of D181, and 2) steric hindrance observed between side chains of W179 and P180.