Table 1.
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 |