Table 5.

Calculated RMSD values [Å] for unliganded 1TQN, 1TQN+RIT, 3NXU-RIT and liganded 3NXU. The averaged values represent a movement corresponding to an area around the active site compared against all positions during the entire simulation. The columns SD, min and max show the values of standard deviation SD, RMSD minima and maxima.

hCyp3A4 model	RMSD [Å]	SD	Min [Å]	Max [Å]
1TQN+RIT	1.2	0.36	0.32	3.59
1TQN-RIT (orig.)	2.0	0.66	0.36	5.07
3NXU+RIT (orig.)	1.2	0.38	0.20	2.74
3NXU-RIT	2.2	0.84	0.29	5.35