Table 2.
i-Motifmodel∗ | Stability† | Number ofC-H+-C pairs | Configurational energy (kcal mol−1) | Observed by NMR (31) |
---|---|---|---|---|
A | 1 | 5 | −168 | No |
B | 3 | 4 | 294 | Yes |
C | 2 | 4 | 241 | Yes |
D | 5 | 5 | 531 | No |
E | 4 | 5 | 471 | No |
i-Motif models correspond to the structures in Fig. 5, A–E.
Stability order is based on calculated configurational energies, with model A the most stable and model D the least stable.