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. Author manuscript; available in PMC: 2013 Nov 19.
Published in final edited form as: Chem Res Toxicol. 2012 Aug 29;25(11):2423–2431. doi: 10.1021/tx300290b

Table 1.

Structural parameters of β-cFapy-dG•dC duplexesa

Z-Duplex E-Duplex
(major isomer)
E-Duplex
(minor isomer)
BP-twist C5•G18 - X6•C17 (°) 12.5 (10 -15) 8.0 (2 – 13) 7 (3 – 9)
BP-twist X6•C17 - C6•G16 (°) 62.0 (61 - 64) 61.0 (58 – 63) 61 (58 – 62)
Axis bend (°) 12.0 (2 – 20) 22.0 (14 – 32) 28 (24 – 30)
cFapy-dG θ torsion angle (°) 59.0 (51 – 69) 41 (12 – 63) −14 (−3 – −27)
a

Values measured on the average refined structures. Between parentheses is the range of values measured on the rMD models.