Intra-basepair Parameters Buckle(°) -64.98 Open angle(°) -27.96 Propeller (°) -24.01 Stagger (Å) -0.71 Shear (Å) -2.42 Stretch (Å) 3.44

Basepair Geometry C1'-C1' Distance(Å) 5.74 C6-C8 Distance (Å) 8.92 Opening (°) 96.64 Glycosidic angle- 1(°) 121.62 Glycosidic angle- 2(°) 113.40

Quantum Chemical interaction energy = -10.19 Kcal/mol

(Ref: Unpublished data)

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