Intra-basepair Parameters Buckle (°) -1.40 Open angle(°) 0.95 Propeller (°) 17.58 Stagger (Å) 0.00 Shear (Å) 2.50 Stretch (Å) 2.94

Basepair Geometry C1'-C1' Distance(Å) 12.28 C6-C8 Distance(Å) 8.08 Opening (°) 131.87 Glycosidic angle-1(°) 21.21 Glycosidic angle-2(°) 19.53

Quantum Chemical interaction energy = -11.28 Kcal/mol

(Ref: Roy et.al. J. Phy. Chem. B, 2008, 112, 3786)

Intra-basepair parameters and basepair geometry are calculated by NUPARM.