. Author manuscript; available in PMC: 2010 Oct 1.

Published in final edited form as: Proteins. 2009 Oct;77(1):97–110. doi: 10.1002/prot.22421

Table IV. Percentage of structure pairs with at least one NMR ensemble member satisfying various criteria.

	Method	E_NMR ≤ E_X-ray + 2 kcal/mol (1)	(1) AND SASApack_NMR ≤ SASApack_X-ray + σ_S (2)	(1) AND NSR_NMR ≥ NSR_X-ray - σ_N (3)	All (4) (1) and (2) and (3)
buried	C-RELAX	31.0	27.6	27.6	27.6
	R-RELAX	22.2	18.5	18.5	14.8
	R-ITER	25.9	25.9	18.5	14.8

surface	C-RELAX	44.8	41.8	44.8	41.8
	R-RELAX	51.9	51.9	51.9	51.9
	R-ITER	59.3	48.1	55.6	44.4

For (2), (3) and (4) in columns 3-5, the percentage of structures pairs indicated met the criterion stated in the header for each column as well as criterion (1) in column 2. Symbols σ_S and σ_N indicate the standard deviation for native-sequence recovery and SASApack, respectively, for all X-ray designs. NSR stands for native-sequence recovery.