. Author manuscript; available in PMC: 2006 Jun 27.

Published in final edited form as: J Mol Biol. 2005 Aug 19;351(3):573–597. doi: 10.1016/j.jmb.2005.05.053

Table 3. Potential H-bonding partners for six highly-ordered water molecules in the region of heme b_H and the Q_i site.

For each of the waters, O and N atoms within 3.5 Å are listed, together with the interatomic distance in each of the two monomers (chains C and P). The B-values for the waters in each monomer are also given.

	Water res.		H-bond Partner			Distance		B-value
Label	(C,	P)	Res.	Num	Atom	C	P	C	P
W1	119	959	^** Antimycin	O2	2.6	2.6	44	38
			^** LYS	227	NZ	2.6	2.6
			^** SER	28	O	3.1	2.9
			^** ASN	32	OD1	3.2	3.3
W2	1008	214	^** SER	35	OG	2.7	3.0	29	32
			^** ASN	32	ND2	2.8	2.8
			^** ASP	228	O	3.0	2.7
W3	222	28	Antimycin	N1	3.2	3.2	25	32
			^** Antimycin	O1	2.9	2.8
			^** TRP	31	O	2.7	2.7
			ASN	32	O	3.2	3.2
			^** SER	35	N	2.8	2.8
			^** SER	35	OG	3.0	2.9
W4	168	109	^** SER	205	OG	2.5	2.5	27	31
			^** HEM	502	O2A	2.8	2.8
			^** HEM	502	O1D	2.7	2.7
W5	2	1	^** HEM	502	O1A	2.5	2.6	33	30
			^** TRP	30	O	2.8	2.7
			^** HIS	97	ND1	2.9	2.8
			^** PHE	33	N	3.1	3.3
			^** GLY	34	N	3.1	3.4
			ARG	100	NH1	3.5	3.4
			ARG	100	NH2	3.5	3.2
W6	108	35	^** HIS	97	O	2.6	2.7	31	32
			^** ARG	100	NE	3.2	3.1
			^** ARG	100	NH2	3.2	3.0
			^** GLY	101	N	3.3	3.4

^**

- potential hydrogen bond

Table 3. Potential H-bonding partners for six highly-ordered water molecules in the region of heme bH and the Qi site.

Table 3. Potential H-bonding partners for six highly-ordered water molecules in the region of heme b_H and the Q_i site.