Figure 5.

Hydrogen bonds between acidic motif and the Kelch domain containing unphosphorylated or phosphorylated S433. (A) Hydrogen bond (H‐bond) network formed in three simulations of Kelch domain‐acidic motif complex containing unphosphorylated (labeled as S433‐1, −2, and −3, left panels) or phosphorylated S433 (labeled as pS433‐1, −2, and −3, right panels). For clarity, the H‐bonds are labeled in red, and the hydrogen atoms for AM are not shown. (B) H‐bond number averaged from the equilibrated simulations. The numbers of H‐bonds in the three simulations with acidic motif and the Kelch domain containing pS433 are significantly lower than those in the simulations with systems containing S433. Asterisk indicates that the difference is statistically significant based on the mean and standard deviation of the analyzed variable (Student's t test, P < 0.05).