TABLE 2.

Molprobity structure validation statistics

	Native hGIIA	hGIIA-BPB	hGIIA-KH064	hGIIA-LY311727
Clashscorea, all atom	4.32	5.42	3.7	6.2
Rotamer outliers	0.00%	0.00%	0.48	0.48
Ramachandran outliers	0.00%	0.00%	0.00%	0.41
Ramachandran favored	97.5%	97.0%	97.13	96.7%
Cβ deviations >0.25Å	0	0	0	0
Overall molprobity scoreb	100th n = 8821 (2.3 ± 0.25 Å)	70th n = 159 (0.09-1 Å)	100th n = 8909 (2.3 ± 0.25 Å)	92nd n = 11,256 (1.8 ± 0.25Å)

^a Clash score is the number of steric overlaps (>0.4 Å) per 1000 residues.

^b Values written as percentile where 100th percentile is the best among n structures of comparable resolution (in parentheses).