Intra-basepair Parameters Buckle(°) -12.67 Open angle(°) -47.05 Propeller (°) 0.33 Stagger (Å) -0.72 Shear (Å) 1.62 Stretch (Å) 4.6

Basepair Geometry C1'-C1' Distance(Å) 8.30 C6-C8 Distance (Å) 7.97 Opening (°) 25.08 Glycosidic angle- 1 (°) 36.61 Glycosidic angle- 2 (°) 117.77

Quantum Chemical interaction energy = -4.63 Kcal/mol

(Ref: Unpublished data)

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