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. Author manuscript; available in PMC: 2011 Feb 1.

Published in final edited form as: Proteins. 2010 Feb 1;78(2):271–285. doi: 10.1002/prot.22537

Table II.

Procedure and modeling results for the smaller loops EC1 and EC3

		GPCR

Procedure	Sampling parameters	bRh		sRh		β2AR		β1AR		A2AR
Procedure	Sampling parameters	EC1	EC3	EC1	EC3	EC1	EC3	EC1	EC3	EC1	EC3
Geometry sampling	*Inp*	4.0	4.0	4.0	4.0	4.0	4.0	4.0	4.0	4.0	4.0
	*Out*	7.0	7.0	6.0	6.0	6.0	6.0	6.0	6.0	6.0	6.0
	*Del*	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0	0.0
	Selected	87	414	126	892	323	840	272	683	40	3,867
Energy sampling	ΔE, kcal/mol	10	10	10	12	10	10	10	10	6	10
Energy sampling	Selected	17	55	36	75	90	50	88	32	7	102
	Best rms, Å	1.4	1.0	1.2	2.7	1.6	1.9	1.9	2.3	1.9	1.6
Clusters	Rms, Å	2.0	2.0	3.0	2.5	2.0	2.0	3.0	2.0	2.0	2.0
Clusters	Number	3	6	5	6	4	2	2	7	2	6