Structure and Dynamics of A:G H:S T base pair

Intra-basepair Parameters

Buckle(°)6.42
Open angle(°)-20.3
Propeller (°)-40.9
Stagger (Å)0.05
Shear (Å)1.95
Stretch (Å)3.24

Basepair Geometry

C1'-C1' Distance(Å)8.63
C6-C8 Distance (Å)8.34
Opening (°)8.36
Glycosidic angle- 1 (°)19.8
Glycosidic angle- 2 (°)108.42

Quantum Chemical interaction energy = -9.5 Kcal/mol

(Ref: Roy et.al. J. Phy. Chem.B, 2008, 112, 3786)

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