Table 3. Association rates of OR homo-dimers formed during five independent MD simulations of the μ-OR/μ-OR, κ-OR/κ-OR, δ-OR/ δ-OR, δ-OR/μ-OR and δ-OR/κ-OR systems.
Interface | δ-OR | κ-OR | μ-OR | |||
---|---|---|---|---|---|---|
TM1,2,H8/TM1,2,H8 | 8.4 | (3.9,14) | 20.5 | (12.3,30.3) | 4.0 | (1,9) |
TM1,2/TM4,5 | 20.1 | (13.1,28.5) | 21.5 | (13.3,31.6) | 5.1 | (1.5,10.5) |
TM1,2/TM5,6 | 15.3 | (9.4,22.7) | 17.3 | (10.2,26.5) | 19.4 | (11.7,29.5) |
TM4,5/TM4,5 | 0.7 | (0,2.9) | ― | ― | ― | ― |
TM4,5/TM5,6 | 3.9 | (1.2,7.9) | 1.0 | (0,3.9) | 1.0 | (0,3.9) |
TM5/TM5 | ― | ― | 18.5 | (10.7,28.3) | 22.7 | (13.9,33.3) |
Estimated kon rates (in μm2/s) along with (2.5%, 97.5%) confidence intervals.