Table 6.
Properties of monomer contact surfaces (surface connection numbers, true or potential H bonds, and salt bridges) of H1-H1 dimers after rigid-body docking performed with the Rosetta, HEX, and GRAMM programs.
| HEX | GRAMM | Rosetta | |||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| run1 | run2 | run3 | run2 | run3 | |||||||||||
| structure ID | 1 | 12 | 28 | 37 | 3 | 18 | 22 | 32 | 42 | 44 | 46 | 2 | 3 | 5 | 2 |
| Surface Connections | 48 | 148 | 134 | 101 | 134 | 90 | 122 | 48 | 90 | 98 | 112 | 38 | 40 | 33 | 13 |
| H bonds | 2 | 9 | 7 | 5 | 7 | 4 | 8 | 3 | 4 | 3 | 3 | 3 | 3 | 2 | 4 |
| Potential H bonds | 6 | 18 | 8 | 9 | 8 | 10 | 10 | 5 | 10 | 8 | 10 | 2 | 2 | 1 | 2 |
| salt bridges | 0 | 5 | 5 | 4 | 5 | 3 | 2 | 0 | 2 | 2 | 0 | 0 | 0 | 0 | 2 |