Intra-basepair Parameters Buckle(°) -2.05 Open angle(°) 9.07 Propeller (°) 2.52 Stagger (Å) 0.01 Shear (Å) 2.70 Stretch (Å) 3.04

Basepair Geometry C1'-C1' Distance(Å) 11.39 C6-C8 Distance (Å) 7.72 Opening (°) 106.34 Glycosidic angle- 1 (°) 9.75 Glycosidic angle- 2 (°) 27.45

Quantum Chemical interaction energy = -9.33 Kcal/mol

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

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