. 2006 Nov 4;62(Pt 12):1179–1184. doi: 10.1107/S1744309106044228

Table 4. Peptide-binding interactions.

Peptide		Hydrogen-bond partner^†
Residue	Atom	Residue	Atom	Distance (Å)	van der Waals contact residues^‡
Ala1p	N	Tyr7α	OH	3.0	Met5α, Tyr7α, Glu63α, Trp167α
	N	Tyr171α	OH	2.7
	O	Tyr159α	OH	2.5
Ile2p	N	Glu63α	O^∊1	2.9	Tyr7α, Tyr9α, Met45α, Glu63α, Asn66α, Val67α, Tyr99α, Tyr159α, W69
	O	W69	OW	3.0
Met3p	N	Tyr99α	OH	2.9	Asn66α, Tyr99α, Arg114α, Gln156α, Tyr159α, (W215)
Pro4p	O	W384	OW	2.7	Tyr159α, (SO 4003), (W179), (W340)
Ala5p	N	Asn66α	O^δ1	3.4	(Asn66α), (W189), (W384)
Arg6p	N	W384	OW	3.1	Gln155α, Tyr8p
	O	W41	OW	3.5
	O	W167	OW	2.7
	O	(W206)	OW	3.5
	N^∊	(Tyr8p)	OH	3.0
	N^η2	(Tyr8p)	OH	3.0
	N^η1	(W340)	OW	2.7
Phe7p	N	(W377)	OW	2.9	Thr73α, Val76α, Pro9p, (W41)
Tyr8p	N	W41	OW	2.9	Trp147α, Trp147α, Ala150α, Ala152α, Gln155α, Arg6p, (W41), (W62), (W125), (W167), (W210)
	O	(W41)	OW	3.4
	O	(W45)	OW	2.6
	O	(Trp147α)	N^∊1	3.0
Pro9p	O	(W62)	OW	2.7	Asp77α, Lys146α, Trp147α, Phe7p, W11, W62, W91, (W187), (W291), (W468)
	O	(Trp147α)	N^∊1	3.3
Lys10p	N	Asp77α	O^δ1	3.0	Asp77α, Leu81α, Ile95α, Thr143α, Trp147α, W45
	OXT	Tyr84α	OH	2.6
	OXT	Thr143α	O^γ1	2.7
	O	Lys146α	N^ζ	2.7
	O	W11	OW	2.9
	N^ζ	Asp116α	O^δ2	2.7
	N^ζ	W2	OW	2.9
	N^ζ	W6	OW	2.9

^†

The cutoff distance for a hydrogen bond is 3.5 Å. Entities in parentheses form hydrogen bonds with suboptimal geometry (polar contact) or are judged not to be important for peptide binding.

^‡

The cutoff distance for a van der Waals contact is 4.0 Å. Residues having any atom within this distance are considered to be contact residues. Entities in parentheses are judged not to be important for peptide binding.