Table 1.
Root mean square deviations (Å) of free and bound states of TPPswec and TPPswat as a whole and for substructures.
| Free (Å) | Bound (Å) | |||
|---|---|---|---|---|
| TPPswec | TPPswat | TPPswec | TPPswat | |
| Whole | 2.83 (0.45) | 3.18 (0.34) | 2.62 (0.41) | 2.73 (0.37) |
| P1 | 5.91 (1.56) | 4.97 (0.67) | 6.44 (1.71) | 5.22 (0.71) |
| P2 | 1.70 (0.33) | 2.37 (0.40) | 2.81 (0.80) | 2.06 (0.27) |
| P3-L3 | 2.99 (0.66) | 3.16 (0.48) | 2.88 (0.58) | 2.87 (0.50) |
| P4-P5 | 1.70 (0.25) | 2.03 (0.17) | 1.65 (0.27) | 1.76 (0.35) |
| J3-2 | 1.37 (0.29) | 1.78 (0.26) | 1.85 (0.42) | 1.94 (0.43) |
| J2-4 | 3.42 (0.38) | 2.96 (0.40) | 3.74 (0.26) | 1.63 (0.61) |
| L5 | 1.43 (0.29) | 1.41 (0.31) | 1.53 (0.41) | 1.52 (0.48) |
| TPP | — | — | 1.38 (0.30) | 1.41 (0.36) |
The number in parenthesis indicates the RMSD standard deviation. “—” no RMSD values.