Table 1.

Residue POOL Rank, POOL log ZP Score, and Loss of Catalytic Efficiency for ppNH Variants

Variant	Shell	POOL rank	POOL log ZP score	(kcat/KM)wild type/(kcat/KM)mutant	Reference
α-C115A	First	1	2.0	>1.0 × 105	27
β-Y68F	First	2	1.8	3.8 × 102	28
α-C112A	First	3	1.3	>1.0 × 105	27
β-R149Y	First	4	1.0	See text	30; See text
β-Y69F	Third	5	0.99	6	This work
α-K131Q	Second	6	0.94	11	This work
β-Y63F	Second	7	0.94	11	This work
β-E56Q	Second	8	0.89	2.3 × 102	23
β-H147N	Second	9	0.85	1.1 × 102	23
α-C117A	First	10	0.79	>1.0 × 105	27
α-D164N	Second	11	0.56	20	23
β-R52K	First	12	0.52	1.3 × 103	29
β-H71L	Third	15	0.37	25	23
α-Y118F	Second	17	0.047	8	This work
α-E168Q	Second	22	−0.029	3.7	23
β-Y215F	Third	32	−0.054	3.3	23
α-R170N	Second	35	−0.062	1.6	23
α-Y171F	Third	40	−0.067	2.1	23
α-R195Q	Third	51	−0.072	3	This work

Note that the residue ranked fourth, β-R149, has been reported to be important for catalysis, but numerical kinetics data have not been reported.