Table 5. Hydrogen-Bond Signature Pattern in the Initial (Before Dynamics) Energy-Minimized Linear and Circular Duplex Conformations.
linear | circular | |
---|---|---|
number of hydrogen bondsa | 260 | 224 |
average D–H–A distance, Å | 3.066 ± 0.118 | 3.083 ± 0.121 |
Formation of a hydrogen bond is assumed when the D–H–A distance is <3 Å and the D–H–A angle is <20°.