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. 2013 May 22;135(23):8542–8551. doi: 10.1021/ja4003525

Table 2. Initial and Average Heme Tilt Angle Calculated for CYP3A4 in Five Independent Membrane-Binding Simulationsa.

run initial tilt angle (deg) avg tilt angle (deg)
Mem-1 55.2 75.9 (3.9)
Mem-2 33.9 69.1 (5.3)
Mem-3 51.9 72.9 (3.7)
Mem-4 59.9 74.4 (5.0)
Mem-5 81.0 68.7 (3.7)
avg   72.2 (3.2)
a

Averages were calculated from the last 40 ns of each simulation corresponding to the membrane-bound form of CYP3A4. Standard deviations are given in parentheses.