TABLE 2.

Identified mutations for improving the binding of d-arabinose in the presence of water for the fourth case study

		Computational design
Design position	Wild-type residue	Binding of d-arabinose	Binding of d- but not l-arabinose
7	Asp	WT*	WT
15	Phe	WT	WT
17	Ala	Gly,Tyr, Arg	Gly, Tyr, Arg
20	Val	Gln, Glu, Arg	Thr, Gln, Arg
23	Leu	Met,Trp, Lys, Ile	Lys, Glu, Gln
24	Thr	Asn, Gly, Ala	Ala
32	Leu	Tyr, Phe, His	Ala, Gly, Phe, His
34	Phe	Met, Arg, Glu	His, Met, Glu
35	Phe	Gln, Tyr	Glu, Tyr
36	Ile	WT	WT
37	Asp	WT	WT
38	Arg	WT	WT
48	Asn	Lys, Gln, Ala, Ile	Gln, Ala
80	His	Gln, Asp, Ala	Gln, Phe, Asn
82	Tyr	Thr, Ala, Met	Phe, Glu, His
91	Trp	WT	His, Phe, Met

^*WT refers to wild-type AraC.