Table II.

LeuT Residues in Which the Average RMSD of a C-α Atom During 15 to 20 Nanoseconds of MD Equilibration Differed by 1Å or Greater Between Simulations

LeuT Residue	+S1+NA1+NA2 RMSD/Å	−S1+Na1+Na2 RMSD/Å	+S1−Na1+Na2 RMSD/Å
Leu 123	1.08	1.71	0.65
Gly 125	0.90	2.34	0.71
Leu 126	0.85	2.31	0.89
Val 127	0.71	2.90	0.93
Pro 128	0.68	1.74	0.68
Pro 155	0.97	2.12	1.37
Gly 157	1.48	1.90	2.87
Asp 158	1.49	1.99	3.45
Pro 160	1.17	1.18	2.23
Pro 233	1.63	1.08	0.62
Asp 234	1.78	0.98	0.78
Glu 477	2.30	1.39	1.23