Table II.

Structural analysis of M3–chemokine complexes^a

	M3–CCL2	M3–XCL1
Shape complementarityb	0.65, 0.66, 0.69	0.63, 0.62
BSAc (Å2)
Total	2,084, 2,170, 2,134	2,156, 2,181
M3	1,071, 1,112, 1,087	1,075, 1,090
Chemokine	1,013, 1,058, 1,049	1,081, 1,091
M3 BSA (nonpolar/polar) (%)	66/34, 64/36, 66/34	64/36, 68/32
Chemokine BSA (nonpolar/polar) (%)	58/42, 54/46, 59/41	57/43, 59/41
Total contactsd (NTD/CTD)	132 (56/76),133 (51/82),126 (50/76)	136 (67/69), 135 (65/70)
H-bonds (NTD/CTD) (all same)	12 (4/8)	10 (4/6)

^aTabulated on a per-site basis in the order of chemokine chains D,E,Y and D,E, respectively, unless otherwise indicated.

^bCalculated using SC (reference 60).

^cSolvent-accessible BSA calculated with 1.4 (Å) in NACCESS (reference 61).

^dNonbonded contacts (<4 Å) calculated using HBPLUS (reference 62).