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. Author manuscript; available in PMC: 2018 Jan 12.
Published in final edited form as: J Phys Chem B. 2016 Dec 20;121(1):78–88. doi: 10.1021/acs.jpcb.6b10188

Table 3.

Height above the Headgroup Regiona

systems dock latch ZN189 (Å) ZN206 (Å) ZT214 (Å) ZR249 (Å)
without POG perpendicular no −2.3 ± 0.2 22.4 ± 0.3 12.1 ± 0.2 2.5 ± 0.2
parallel no 5.7 ± 0.4 11.2 ± 0.5 11.4 ± 0.2 3.4 ± 0.2
no no 7.9 ± 0.3 24.5 ± 0.6 12.2 ± 0.2 7.0 ± 0.2
with POG parallel yes 7.5 ± 0.3 9.9 ± 0.6 8.7 ± 0.1 1.4 ± 0.2
parallel no 7.1 ± 0.3 14.6 ± 0.4 8.5 ± 0.2 0.8 ± 0.2
no no 11.5 ± 0.4 22.1 ± 0.6 15.5 ± 0.4 10.6 ± 0.5
a

Height above the headgroup region for residues N189, N206, T214, and R249 in each state. Residues N189, L219, and R249 represent the three main loops (CBL1, CBL2, and CBL3), and residue N206 represents the upper side of the C2 domain long axis. Error bars represent the standard error of the mean. All values were extracted and averaged over the last 150 ns of the simulation.