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. 2017 Feb 13;114(9):2241–2246. doi: 10.1073/pnas.1609579114

Fig. S3.

Fig. S3.

Estimates of H-bond energy. (A) Energies are calculated using partial charges from three different force fields for residues in the sfAFP (2pneA) (blue), helical (red), and nonhelical residues (green) in similarly sized proteins. (B) Calculated H-bond energies and distances using B3LYP DFT on hydrogen-bond geometries in sfAFP and 34 other proteins sorted according to secondary structure. Energy calculations are carried out with varying dielectric constants. Cross-lines indicate average values for each secondary structure type.