Fig. 3.

Correlated motions orchestrate positive and negative cooperativity. a Covariance plot indicating the coordinated changes of methyl group order parameters (O²) throughout the entire kinase. The diagonal peaks in the plots represent the assigned methyl groups, while cross peaks indicate the degree of correlation of the methyl group O² using Pearson coefficient as a metric. Methyl group dynamics changes are considered coordinated when the Pearson coefficient is greater than 0.9. b Network plot connecting the methyl groups the highest values of covariance. c Mapping of the methyl groups that show a significant difference in order parameters upon forming the ternary complexes, i.e., PKA-C/ATPγN/PKS_5–24 and PKA-C/ADP/pPKS_5–24, from the binary complexes bound with nucleotide, respectively (see Supplementary Fig. 12)