Fig. 6.

Model of SS-8 and interaction with the secondary prism plane of ice. (A) N-terminal cap structure of SS-8. The all α-helix model of SS-8 (top) (Wierzbicki et al. 1996), compared with the new low energy N-terminal cap structure generated from molecular dynamics simulation (bottom). Total energy as determined by energy minimization for each conformer is indicated. (B) SS-8 docking to the secondary prism plane of ice. The N terminus is shown on the left and the green ribbon traces the backbone. Ala residues within the ice-binding plane delineated by Ala 17 and Ala 21 are colored red. Note how the Ala side chains that repeat at 11 -amino acid intervals fit into the grooves of the ice surface. The Connolly ice surface shown was generated by SYBYL 6.6.