**2.2 Bioinformatical analysis**

It was created original author's algorithm in order to reveal the unusual А�Т base pairs in the Nucleic Acid Database by Rutgers University [93, 94]. This algorithm is based on the comparison of the calculated structure of the А�Т base pairs at the ε = 4 with structure of the analogical base pairs in the Nucleic Acid Database.

So, on the potential energy surface of the classical AT/AU base pair it was received *28 various conformationally-tautomeric states* (**Figure 1**, **Table 1**):

*Where Quantum Biochemistry Meets Structural Bioinformatics: Excited Conformationally…*

24.A\*N7T(rwH);

*DOI: http://dx.doi.org/10.5772/intechopen.94565*

**7**

• *Planar structures(Cs point symmetry) with wobble geometry:* WC & rWC – 2.A\*T (wWC), 3.AT\*O2(wWC), 4.AT\*(wWC), 6.AT\*O2(rwWC), 7.A\*C2T(rwWC), 8. AT\*(rwWC), 9.A\*T(rwWC) and H & rH – 16.AT\*(wH), 17.A\*C8T(wH), 18. AT\*O2(wH), 19.A\*N7T(wH), 21.AT\*O2(rwH), 22.A\*C8T(rwH), 23.AT\*(rwH),
