Intra-basepair Parameters Buckle(°) -67.98 Open angle(°) 26.13 Propeller (°) -20.92 Stagger (Å) 0.97 Shear (Å) 2.36 Stretch (Å) 3.67

Basepair Geometry C1'-C1' Distance(Å) 8.13 C6-C8 Distance (Å) 6.80 Opening (°) 69.09 Glycosidic angle- 1 (°) 78.07 Glycosidic angle- 2 (°) 30.55

Quantum Chemical interaction energy = -7.12 Kcal/mol

(Ref: Unpublished data)

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