Figure 3.

Dihedral fluctuations (in degrees) for S-MHV-A59 (PP), S-MHV-A59 (P), and S-MHV-2 (P) in water. Dihedral fluctuation is defined as the S.D. of the distribution of absolute difference from mean for a dihedral angle in the trajectory. The marker on the curve on either side of each tick mark for a residue label corresponds to ϕ and ψ backbone torsion angle for that residue (a). Statistics of helical structure detected by the program DSSP (48) for each residue in MD (fusion domain in water) trajectory around the FP (b).