Table 4. Comparison of the Average BII Fractions for the DDD, 1FZX, 1SK5, and 3GGI Systems; The Values for the 1I0T System Represent the Fractions of the ZI State As Measured for 5′-GpC-3′ Stepsa.
| TIP3P |
OPC |
|||||
|---|---|---|---|---|---|---|
| bsc0 | OL15 | bsc1 | bsc0 | OL15 | bsc1 | |
| DDD | 0.12 | 0.23 | 0.22 | 0.10 | 0.21 | 0.21 |
| 1FZX | 0.09 | 0.18 | 0.17 | 0.08 | 0.15 | 0.16 |
| 1SK5 | 0.15 | 0.20 | 0.17 | 0.11 | 0.18 | 0.15 |
| 3GGI | 0.20 | 0.28 | 0.21 | 0.15 | 0.27 | 0.22 |
| ZI Population | ||||||
| 1I0T | 0.29 | 0.79 | 0.08 | 0.24 | 0.80 | 0.06 |
ZI is defined as follows: ζ(dG) is between 240 and 360° and β(dC) is between 205 and 300°. All frames were considered for BII and ZI analysis.