Figure S5.

ccis-trans isomerization of the peptide bonds generates alternative low-energy states, related to Figure 3

(A) Structure prediction calculations for the design D11.25 sequence show two low-energy states. Orange points: conformations with no cis-peptide bonds; gray points: predicted conformations with at least one cis-peptide bonds; and blue points: conformations generated by the local energy minimization of the design model.

(B and C) (B) Lowest energy “trans” state with all peptide bonds in trans conformation, (C) lowest energy “cis” state with the N-methylated amino acid in the cis conformation.

(D) X-ray structure for D11.25 matches the cis state and exposed NH group from a D-leucine. The position of cis-peptide bond is highlighted in the dashed square. ^∗ in the cis state denotes the position of the unsatisfied NH groups.