Table 1.

Computationally designed N- and C-terminal mutant CaMs

CaMsDesigned positions
Site 1
Site 2
Site 3
Site 4
20222427315658606267939597100104129131133135140
CaM WTDDDIEDDNTEDDNIEDDDQE
CaM-CWT T K Q IE S D E I K
CaM-NWT A R D M E R D N E N
  • All CaM residues that directly coordinate Ca2+ ions with their side chains (positions 20, 22, 24, 31, 56, 58, 60, and 67 for the N-terminal domain and 93, 95, 97, 104, 129, 131, 133, and 140 for the C-terminal domain) were included in the optimization. Residues 62 and 135 also were included because they coordinate Ca2+ ions with their backbone carbonyls. Residues 27 and 100, which do not coordinate Ca2+ ions, but are in close proximity to the ion and help define the Ca2+-binding loop, also were optimized. Bold lettering shows mutations with respect to the WT CaM sequence. –, positions were not included in the calculation for the mutant CaM indicated.