Table 1.

Averaged kink and tilt angles in degree of the individual TMDs and the TMDs of the monomer

	Kink [°]	Tilt [°]
Individual TMDs
TMD110-32	156.2 ± 9.4	14.1 ± 5.5
TMD236-58	142.6 ± 7.3	8.9 ± 4.2
TMD11-32	147.5 ± 9.1	20.1 ± 4.2
TMD2-F44Y	136.1 ± 21.0	20.8 ± 4.9
TMD2-Y42/45S	162.0 ± 8.1	8.5 ± 3.5
TMD2-Y42/45F	153.0 ± 11.3	7.8 ± 3.9
Monomer
MNL
TMD1	161.7 ± 5.6	24.4 ± 6.9
TMD2	143.1 ± 8.4	28.8 ± 11.8
ML
TMD1	159.2 ± 4.3	12.8 ± 4.3
TMD2	159.6 ± 5.7	18.6 ± 2.9

The values represent averages taken over the entire length of each of the simulations.