TABLE 1.
a Values are reported as the means over the final 30 structures ± 1 S.D. These final lowest energy structures had no NOE violations greater than 0.3 Å or dihedral violations greater than 3°.
b The energy was calculated using the X-PLOR (26). Frepel function with van der Waals interactions and atomic radii set to 0.8 times their CHARMM values (64).
c Calculated using the CHARMM empirical energy function (64).