Table 2.

Performance of new ANEH mutants as catalysts in the hydrolytic kinetic resolution of rac-1 as predicted by innov’SAR.

Variant	Mutations	Predicted ΔΔG‡	Predicted E-value	Experimental E-value
WT		−1.07	6	6
P1	A217N_R219S_L249Y	−1.18	7	6
P2	A217N_L249Y_T317W_M329P_L330Y_C350V	−1.98	27	15
P3	L215F_A217N_R219S_L249Y_T317W_T318V_M329P_C350V	−2.86	117	96
P4	L215F_A217N_L249Y_T317W_T318V_M329P_C350V	−3.10	175	253
P5	L215F_A217N_R219S_L249Y_T317W_T318V_L330Y_C350V	−3.14	185	228