Table 2. Hydrogen bonds between symmetry-related molecules in the crystals.
The letters in columns X and Y of the table indicate the names of the blades in the WD40 propeller domains. Each blade includes four sheets and four loops. The C-terminal loop in each blade, e.g. SA4–SB1, was included in the preceding blade. Nt, N-terminal domain.
| P21, molecule A | P21, molecule B | P64 | ||||||
|---|---|---|---|---|---|---|---|---|
| X | Y | Symmetry operation | X | Y | Symmetry operation | X | Y | Symmetry operation |
| Nt | Nt | x + 1, y, z | Nt | Nt | x, y, z + 1 | B | D | −x + 1, −y, z |
| D | A, G | x + 1, y, z | D | A, G | x, y, z + 1 | C | D | −x + 1, −y, z |
| E | Nt | x + 1, y, z | E | Nt | x, y, z + 1 | D | B, C | −x + 1, −y, z |
| F | Nt | x + 1, y, z | F | Nt | x, y, z + 1 | G | F, G | −x + 2, −y + 1, z |
| Nt | Nt, E, F | x − 1, y, z | Nt | Nt, E, F | x, y, z − 1 | F | G | −x + 2, −y + 1, z |
| A | D | x − 1, y, z | A | D | x, y, z − 1 | Nt | D, E | −x + y + 2, −x + 1, z − 1/3 |
| G | D | x − 1, y, z | G | D | x, y, z − 1 | F | C | x − y, x − 1, z − 1/3 |
| A | Nt | x, y, z + 1 | A | Nt | x + 1, y, z | G | D | x − y, x − 1, z − 1/3 |
| Nt | A | x, y, z − 1 | Nt | A | x − 1, y, z | C | F | y + 1, −x + y + 1, z + 1/3 |
| B | Nt | x + 1, y, z + 1 | B | Nt | x + 1, y, z + 1 | D | G | y + 1, −x + y + 1, z + 1/3 |
| C | Nt | x + 1, y, z + 1 | C | Nt | x + 1, y, z + 1 | D | Nt | −y + 1, x − y − 1, z + 1/3 |
| Nt | B, C | x − 1, y, z − 1 | Nt | B, C | x − 1, y, z − 1 | E | Nt | −y + 1, x − y − 1, z + 1/3 |
| Nt | Nt | −x, y + 1/2, −z (B) | Nt | Nt | −x, y − 1/2, −z (A) | |||
| D | D, E | −x + 1, y + 1/2, −z + 1 (B) | D | D, E | −x + 1, y − 1/2, −z + 1 (A) | |||
| E | D, E | −x + 1, y + 1/2, −z + 1 (B) | E | D, E | −x + 1, y − 1/2, −z + 1 (A) | |||