Geometric Simulation Approach for Grading and Assessing the Thermostability of CALBs

Table 1

Hydrogen bond dilution data of native (4K6G) and mutant (4K5Q) CALB showing the number of bonds broken and the number of bonds remaining to be broken at different energy profile.

SI number	Energy supplied (kcal/mol)	4K6G		4K5Q
		Bonds broken	Bonds remaining	Bonds broken	Bonds remaining
1	<−0.9	36	233	41	237
2	−1 < −1.9	34	199	41	196
3	−2 < −2.9	32	167	49	147
4	−3 < −3.9	39	128	28	119
5	−4 < −4.9	37	91	32	87
6	−5 < −5.9	40	51	45	42
7	−6 < −6.9	34	17	23	19
8	−7 < −7.9	0	0	16	3