Intra-basepair Parameters Buckle(°) -12.95 Open angle(°) 0.08 Propeller (°) 30.85 Stagger (Å) 0.00 Shear (Å) 1.17 Stretch (Å) 3.53

Basepair Geometry C1'-C1' Distance(Å) 7.85 C6-C8 Distance (Å) 10.27 Opening (°) 179.91 Glycosidic angle- 1 (°) 78.49 Glycosidic angle- 2 (°) 78.41

Quantum Chemical interaction energy = -8.12 Kcal/mol

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

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