Intra-basepair Parameters Buckle(°) 3.94 Open angle(°) 4.11 Propeller (°) -1.30 Stagger (Å) -0.15 Shear (Å) -2.42 Stretch (Å) 2.84

Basepair Geometry C1'-C1' Distance(Å) 10.30 C6-C8 Distance (Å) 9.86 Opening (°) 128.18 Glycosidic angle- 1 (°) 31.31 Glycosidic angle- 2 (°) 15.03

Quantum Chemical interaction energy = -14.68 Kcal/mol

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

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