BMC Structural Biology

Table 1 The partners of the nine least redundant restraints sorted using QUEEN.

From: The redundancy of NMR restraints can be used to accelerate the unfolding behavior of an SH3 domain during molecular dynamics simulations

First restraint partner				Second restraint partner
Region	Residue	Number	Atom	Region	Residue	Number	Atom
RT loop	Phe	11	Hδ#	β4	Pro	51	Hδ#
β1	Glu	4	Hγ#	C terminal	Glu	60	HN
n-src loop	Lys	33	HN	β3	Trp	38	Hα
β2	Leu	27	Hα	distal hairpin	Asp	42	Hα
β2	Leu	28	HN	β3	Lys	41	HN
RT loop	Ala	13	HN	RT loop	Thr	20	Hα
β1	Tyr	5	Hα	C terminal	Tyr	58	HN
β1	Tyr	5	Hβ#	β2	Val	29	Hγ2#
β3	Trp	38	HN	β4	Arg	52	HN

For each restraint partner, the protein region, the residue name and number and the hydrogen name are given. The hydrogens without stereospecific assignment are marked with a sign #.

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ISSN: 1472-6807

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