Table 1.

Percent wild-type sequence identity before and after force field optimization

Computed sequences	Percent sequence identity*
	Total	Core	Boundary	Surface
Gβ1, initial force field
sbias0.0	16	20	8	17
sbias2.0	55	70	33	59
sbias4.0	84	80	67	93
sbias5.0	92	90	92	93
sbias6.0	100	100	100	100
Gβ1, tuned force field
sbias0.0	53	100	50	38
sbias0.5	76	100	50	86
sbias1.0	92	100	83	97
sbias1.5	96	100	92	97
sbias2.0	100	100	100	100
ENH, initial force field
sbias0.0	22	20	9	28
sbias2.0	46	30	27	59
sbias4.0	66	60	55	72
sbias6.0	96	90	91	100
sbias8.0	96	90	91	100
sbias9.0	100	100	100	100
ENH, tuned force field
sbias0.0	42	80	45	28
sbias0.5	64	80	55	62
sbias1.0	86	90	82	86
sbias1.5	90	90	91	90
sbias2.0	94	90	100	93
sbias2.5	100	100	100	100

*Wild-type sequence identity was determined by using only the positions in the design. Values are rounded to the nearest integer. Wild-type sequence identities for random fixed composition sequences for Gβ1 were calculated to be 11%, 8%, 11%, and 12% for total, core, boundary, and surface positions, respectively.