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. Author manuscript; available in PMC: 2009 Nov 25.
Published in final edited form as: Biochemistry. 2007 Jun 30;46(29):8498–8516. doi: 10.1021/bi700361u

Table 3.

Torsion Angles (degrees) Defining the IQ Orientation in the rMD-Generated Structures of the NarIIQ1, NarIIQ2, and NarIIQ3 Duplexesa

duplex χ α′ β′
NarIIQ1 96 ± 9 −115 ± 8 149 ± 8
NarIIQ2 118 ± 8 −124 ± 8 168 ± 7
NarIIQ3 85 ± 10 159 ± 7 −23 ± 8
a

χ is the glycosyl torsion angle (O4′–C1′–N9–C4), α′ is the N9–C8–N(IQ)–C2(IQ) angle, and β′ is the C8–N(IQ)–C2(IQ)–N3(IQ) angle (see Chart 1).