Table 1.

Lowest and second lowest energy structures of the dimer and finally the monomeric structures. Data represent the interhelical distance, rotational angle of each of the individual TMDs and the averaged (overall TMDs) tilt angle, as well as the energy calculated with MOE

Method	Distance (nm)	Angle 1 (°)	Angle 2 (°)	Angle 3 (°)	Tilt (°)	Energy (kcal/mol)
Seq1	1.0	40	340		8	−503.6
(TMD3 + TMD2)
Seq1	1.20	260	220		−2	−878.1
((TMD3 + TMD2) + TMD1)	1.15	180	240		−10	−865.1
Seq2	0.95	340	300		0	−349.6
(TMD1 + TMD2)
Seq2	1.175	0	40		2	−863.5
((TMD1 + TMD2) + TMD3)
Sim	1.075	60	180	340	−4	−730.5
(TMD1 + TMD2 + TMD3)	1.075	40	100	80	4	−654.8