Text S1 Michael Thomas1,* , Dylan Jayatilaka2 , and Ben Corry1 1
Research School of Biology, Australian National University, Canberra, Australia
2
School of Chemistry and Biochemistry, University of Western Australia, Perth, Australia *
Corresponding Author, E-mail:
[email protected]
Model Type Abstract Model Abstract Model Abstract Model Abstract Model Abstract Model LeuT LeuT GltPh GltPh
Binding Site 4 Ligands 5 Ligands 6 Ligands 7 Ligands 8 Ligands Na1 Na2 Na1 Na2
Ions Studied Li+ /Na+ /K+ Li+ /Na+ /K+ Li+ /Na+ /K+ Li+ /Na+ /K+ Li+ /Na+ /K+ Li+ /Na+ /K+ Li+ /Na+ /K+ Li+ /Na+ /K+ Li+ /Na+ /K+
Number of Atoms 33 41 49 57 65 27 25 19 21
Table S1: A description of the composition of each system investigated in this study. The number of atoms includes annihilated and exnihilated atoms.
1
Figure S1: Decomposition of ∆∆GRLF (magenta) into ∆∆HRLF (black) and −T ∆∆SRLF (brown) for the Na+ → Li+ morph for (A) GltPh :Na1, (B) GltPh :Na2, (C) LeuT:Na1 and (D) LeuT:Na2. Negative values indicate Na+ selectivity, positive values indicates K+ .
Binding Site LeuT:Na1 LeuT:Na2 GltPh GltPh
This Work -2.7 -1.0 -5.2 -0.9
Experimental
