TABLE 1.
Backbone RMSD between time-averaged enzyme structures in different solvents
Crystal | WAT | OCT | THF | ACN | |
---|---|---|---|---|---|
Crystal | 0 | 0.62 | 0.96 | 0.59 | 0.67 |
WAT | 0.62 | 0 | 0.95 | 0.56 | 0.56 |
OCT | 0.96 | 0.95 | 0 | 0.78 | 0.94 |
THF | 0.59 | 0.56 | 0.78 | 0 | 0.54 |
ACN | 0.67 | 0.56 | 0.94 | 0.54 | 0 |
RMSD values between these structures and the crystal structure in water are also included. RMSD values are in Å units.