Intra-basepair Parameters Buckle(°) -51.40 Open angle(°) 11.00 Propeller (°) -12.18 Stagger (Å) -0.05 Shear (Å) 2.13 Stretch (Å) 3.14

Basepair Geometry C1'-C1' Distance(Å) 9.27 C6-C8 Distance (Å) 8.41 Opening (°) 26.47 Glycosidic angle- 1(°) 6.82 Glycosidic angle- 2(°) 89.57

Quantum Chemical interaction energy = -10.73 Kcal/mol

(Ref: Panigrahi et. al, Unpublished data)

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