TABLE 2.
Intra- and intersubunit optimal hydrogen bond values and numbers of salt bridges and salt bridge residues calculated using WHAT IF
| Interaction location | Hydrogen bond value
|
No. of salt bridges/no. of salt bridge residues
|
||||
|---|---|---|---|---|---|---|
| NDO-P | NDO-R | BPDO-R | NDO-P | NDO-R | BPDO-R | |
| Intrasubunit | ||||||
| αi | 276.8 | 223.3 | 260.4 | 77/39 | 104/49 | 73/35 |
| βi | 119.1 | 74.7 | 109.9 | 58/25 | 52/22 | 54/21 |
| Total | 395.9 | 298.0 | 370.3 | 135/64 | 156/71 | 127/56 |
| Homodimer interface | ||||||
| αi − αi+ 1 | 9.2 | 11.4 | 13.3 | 8/4 | 19/7 | 18/8 |
| βi − βi+ 1 | 5.1 | 4.2 | 11.1 | 6/3 | 10/5 | 13/4 |
| Total | 14.3 | 15.6 | 24.4 | 14/7 | 29/12 | 31/12 |
| Heterodimer interface | ||||||
| αi − βi | 18.9 | 12.7 | 16.6 | 21/7 | 20/8 | 12/5 |
| αi − βi+ 1 | 0 | 2.3 | 3.3 | 0/0 | 2/1 | 9/3 |
| αi − βi+ 2 | ||||||
| Total | 18.9 | 15.0 | 19.9 | 21/7 | 22/9 | 21/8 |