Intra-basepair Parameters Buckle(°) -0.18 Open angle(°) 0.55 Propeller (°) -0.04 Stagger (Å) 0.0 Shear (Å) 2.21 Stretch (Å) 2.21

Basepair Geometry C1'-C1' Distance(Å) 12.14 C6-C8 Distance (Å) 9.9 Opening (°) 159.71 Glycosidic angle- 1 (°) 16.84 Glycosidic angle- 2 (°) 33.85

Quantum Chemical interaction energy = -12.87 Kcal/mol

(Ref: Unpublished data))

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