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. Author manuscript; available in PMC: 2013 Jul 10.
Published in final edited form as: J Chem Theory Comput. 2012 Jun 5;8(7):2506–2520. doi: 10.1021/ct300275s

Table 3.

α/γ dihedral combinations of antiparallel quadruplex in the starting X-ray structure.a

α/γ combinations Nucleotides Mean values

α(−)/γ (+) G2, 4, 10, 12, 14, 16, 22, 24 292 / 53
α(+)/γ(−) G3, 15, 23 50 / 296
α(+)/γ(t) G9, 21 71 / 200
α(−)/γ(−) G11 302 / 311
a

The first nucleotides in each strand, G1 and G13 possess γ(+) angles.