Table 1.

Initial Configurations of the Prenylated K-Ras4B-GTP/PDEδ Systems

	K-Ras4B-GTP				PDEδ
simulation system	PDB	HVR	prenylation	model	PDB	Phe133 side chain	state	prenyl insertion
system 1	3GFT	flexible loop	farnesyl	KM1	5E8F	down	1	deep
system 2	4DSO	partial α-helix	farnesyl	KM2	5E8F	down	1	deep
system 3	3GFT	flexible loop	farnesyl	KM1	5F2U	up	2	shallow
system 4	4DSO	partial α-helix	farnesyl	KM2	5F2U	up	2	shallow
system 5	3GFT	flexible loop	geranylgeranyl	KM1	5E8F	down	1	deep
system 6	4DSO	partial α-helix	geranylgeranyl	KM2	5E8F	down	1	deep