Table 1.

Intermolecular atomic contacts (distance ≤ 4.0 Å) calculated from the X-ray structures of the binary and ternary complexes of some cyclophilins

A. Complex residue-CsA	(hCyPA/CsA + CnA + CnB)			hCyPA/CsA	BmCyP18/CsA	hCyPF/CsA
	1M63.pdb			1CWA.pdb	1C5F.pdb	2Z6W.pdb
1 MeBmt1	9		5	7	10	6
2 Abu2	21	1		20	21	21
3 Sar3	4	3		6	4	5
4 MeLeu4		13	5
5 Val5	2	7	6	3	2	3
6 MeLeu6		8
7 Ala7		8
8 DAla8	2	3
9 MeLeu9	11	3		16	17	17
10 MeLeu10	6			7	8	10
11 MeVal11	19			20	18	22
Total	72	45	16	79	80	84

B. Ligand hCyPA	CsA	CsA	Suc-AGPF-pna	hGag	SfA
	1M63.pdb	1CWA.pdb	1ZKF.pdb	1M9C.pdb	1YND.pdb
1 Arg55	7	8	8	10	6
2 Ile57			3		2
3 Gly59					4
4 Phe60	8	10	8	15	10
5 Met61		2		2	2
6 Gln63	9	6	9	9	9
7 Asn71					2
8 Gly72	8	10	5	7	2
9 Thr73			4	4	5
10 Ala101	5	4	2	2	7
11 Asn102	13	13	10	8	11
12 Ala103				2	7
13 Gly104					3
14 Gln111	7	6	2	4	9
15 Phe113	8	9	4	9	5
16 Trp121	5	9	4	8	7
17 Leu122	2	2	3	3	2
18 His126	3	3	6	6	10
19 Arg148	3
Total	78	82	68	89	103