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. Author manuscript; available in PMC: 2021 Jun 11.
Published in final edited form as: Biochemistry. 2019 Nov 26;58(49):4903–4911. doi: 10.1021/acs.biochem.9b00854

Table 1.

Binding Free Energies for IQ motifs Binding to Apo-CaM and Ca2+-CaMa

system ΔGb ΔGsol + ΔGgas −TΔS system ΔGb ΔGsol + ΔGgas −TΔS
apo-CaM–IQ3 −109.0 ± 9.3 −133.1 ± 9.3 24.1 apo-CaM–IQ4 −106.9 ± 10.4 −131.2 ± 10.4 24.3
Ca2+-CaM–IQ1 −106.9 ± 7.6 −130.9 ± 7.6 24.0 Ca2+-CaM–IQ2 −108.0 ± 7.7 −132.0 ± 7.7 24.0
Ca2+-CaM–IQ3 −120.8 ± 10.4 −145.0 ± 10.4 24.2 Ca2+-CaM–IQ4 −129.8 ± 8.9 −154.0 ± 8.9 24.2
a

The average binding free energy ⟨ΔGb⟩ is a sum of the gas phase contribution ⟨ΔGgas⟩, the solvation energy contribution ⟨ΔGsol⟩, and the entropic contribution (−TΔS).