Table 1.

Interhelical distances and tilt angles calculated between the centers of mass of each helix based on the Cα backbone atoms. Values are averaged over the last 5 ns of the 15 ns MD simulation runs. Minimum pore radius (MPR) is calculated as an average over six bundle models taken at 10, 11, 12, 13, 14 and 15 ns using the program HOLE [44].

Bundle models	Tilt [°]	Distance [Å]	MPR [nm]
TBM1	+ 30.1 ± 6.1	7.1 ± 1.4	–
TBM2	−28.8 ± 9.8	6.2 ± 1.9	–
TBM3	−24.6 ± 7.3	6.3 ± 1.1	–
PBM1	+ 30.3 ± 10.6	8.7 ± 3.6	−
PBM2	+ 42.8 ± 4.9	11.1 ± 0.7	4.4 ± 0.2
PBM3	+ 37.6 ± 5.4	10.4 ± 1.1	3.5 ± 0.4
HBM1	+ 26.5 ± 11.0	9.0 ± 4.6	–
HBM2	−25.8 ± 11.9	9.4 ± 3.5	–
HBM3	+ 30.9 ± 12.1	9.2 ± 3.4	–