Skip to main content
. 2016 Aug 26;12(37):7792–7803. doi: 10.1039/c6sm01186a

Table 1. The bending rigidity, K c, for each of the simulations. Errors were calculated, including convergence testing, as described in the ESI (Fig. S2–S5). All the coarse-grained simulations were run at 323 K, with the exception of the two component POPE/POPG bilayers which were run at 313 K. The protein area density was estimated by calculating the average area of the last 20% of each simulation and inferring the protein area using the appropriate area per lipid value calculated from the control simulations.

Sim no. Lipid composition No. lipids Forcefield Duration (μs) Protein Area density K c (kT)
1 POPC 1500 AT 0.5 29.8 ± 5.5
2 1500 CG 0.5 25.2 ± 2.2
5 25.5 ± 0.5
3 54 684 CG 5 30.9 ± 1.3
4 37 249 CG 5 +144 Aqp0 29% 37.3 ± 3.6
5 55 584 CG 5 +144 Kir2.2 11% 16.1 ± 0.7
6 POPE/POPG 3 : 1 41 472 CG 5 21.2 ± 1.8
7 28 888 CG 5 +144 BtuB 28% 10.2 ± 1.1
8 26 832 CG 5 +100 OmpF 37% 19.4 ± 2.2
9 25 448 CG 5 +72 BtuB/72 OmpF 40% 16.6 ± 1.2
10 DOPC/SM/CHOL 8 : 1 : 1 53 964 CG 5 25.0 ± 2.0
11 53 964 CG 5 +108 tN-Ras <1% 23.8 ± 2.2
12 DOPC/SM/CHOL 2 : 2 : 6 53 964 CG 5 49.1 ± 6.7
13 53 964 CG 5 +108 tN-Ras <1% 51.1 ± 2.9