Table 2. The changes of orientation angles with time for all simulation systems.

System/MD time (ns)	0–50	50–100	100–150	150–200	200–250	250–300
CXCL-8 monomer	140.05°±7.09	136.49°±8.56	147.35°±7.85	145.31°±7.50	144.48°±8.08	150.44°±7.26
CXCL-8 dimer	133.58°±6.56	137.08°±7.64	144.81°±7.17	140.60°±6.95	136.09°±5.95	140.54°±7.17
CXCR1_mut	126.48°±7.79	114.66°±7.00	121.75°±6.35	115.54°±4.73	116.96°±4.74	109.57°±5.32

The changes of orientation angles are clustered every 50 ns during 300 ns MD simulations.