In silico measurements of the mutant cells in the G2-M model.

aEach mutation is considered to have mainly functional (F) or structural (F) impact according to their locations in its target protein.bΔΔG of the mutations in individual Cdk1 or CycB; each of them is an average value considering structures sampled from molecular dynamic simulations.cΔΔG of the mutations in Cdk1-CycB complex (MPF); each of them is an average value considering structures sampled from molecular dynamic simulations.dMaximum of ΔΔG considering both complexed and uncomplexed states of the target protein.ePerturbation on CycB degradation was weighted 0.3 for the degradation of monomeric CycB and weighted 0.7 for the degradation of complexed CycB (MPF).fPerturbation on Cdk1 degradation was estimated through the degradation of MPF only since the amount of total Cdk1 is constant.gPerturbation on the interaction between CycB and Cdk1 was estimated through Jwee and J25 with a weighting 0.9*Jwee+0.1*J25.hThe high ΔΔG is a result of van der Waals clashes when the target residue is mutated to a larger side chain.