Table 4. Binding free energies of the complexes upon mutation of residues to alanine.

	HPM-AURKA		HPM-AURKB		MPY-AURKA		MPY-AURKB		VX6-AURKA		VX6-AURKB
	F275A		F88A		Y212A		F88A		L263A		F88A
	Mean	SEM	Mean	SEM	Mean	SEM	Mean	SEM	Mean	SEM	Mean	SEM
ΔE vdw	-66.25	0.38	-84.36	0.42	-61.50	0.28	-66.57	0.50	-55.94	0.33	-66.18	0.35
ΔE ele	0.18	0.43	-7.53	0.44	-2.18	0.15	-1.35	0.13	-4.21	0.19	-3.74	0.18
ΔE GB	23.84	0.46	35.54	0.40	22.76	0.18	22.83	0.20	18.18	0.23	20.98	0.22
ΔE surf	-6.86	0.02	-8.91	0.02	-6.17	0.02	-6.65	0.02	-5.47	0.02	-6.37	0.02
ΔG gas	-66.06	0.63	-91.89	0.49	-63.69	0.33	-67.93	0.55	-60.15	0.35	-69.93	0.40
ΔG solv	16.98	0.46	26.62	0.40	16.58	0.18	16.17	0.20	12.70	0.22	14.60	0.22
ΔG total	-49.07	0.39	-65.27	0.29	-47.10	0.31	-51.75	0.49	-47.44	0.30	-55.32	0.40
ΔΔG bind	-4.01	0.99	-4.07	1.18	-2.23	0.39	-3.52	0.93	-4.73	0.63	-3.99	1.04

ΔΔG_bind = Difference in mutant and wild type energy values.