TABLE 3.

Pairwise RMSD between the most populated structures

	WT	DIM4	DIM9	dDIM	ACK
From MD at 300 K
WT	0
DIM4	1.18	0
DIM9	1.23	0.49	0
dDIM	1.14	0.64	0.69	0
ACK	0.84	1.29	1.39	1.24	0
From REMD at 306 K
WT	0
DIM4	0.58	0
DIM9	0.85	0.77	0
dDIM	0.81	0.82	0.73	0
ACK	1.04	1.06	1.08	0.88	0

The units are angstroms. The largest RMSD between the REMD and MD structures is 1.68 Å.