Table 3.

Interactions of the complexes NSP-4MSOB at pH 5, and ESP-4MSOB at pH 3. Structural details of NSP-4MSOB and ESP-4MSOB complexes are given in Figure S6.

Complex	Number	Interaction	Distance (Å)	H-Donor	H-Acceptor
NSP-4MSOB pH5	1	ARG220	5.36	A:ARG220:NH1	:4MSOB:O13
	2	GLU322	2.47	:4MSOB:Fe5	A:GLU322:OE2
	3	ILE168	2.75	A:ILE168:H	:4MSOB:O13
	4	SER432	2.06	A:SER432:H	:4MSOB:O12
	5	SER432	2.40	:4MSOB:H8	A:SER432:O
	6	LEU321	2.57	:4MSOB:Fe5	A:LEU321:O
Non-bonded interacting residues	SER165, HIS166, ALA169, GLN170, GLY218, VAL219, MET221, VAL222, GLY320, TRP329, HIS343, SER430, ALA431, THR433, SER434
ESP-4MSOB pH3	1	VAL30	2.11	A:VAL30:H	:4MSOB:O12
	2	ARG80	2.93	A:ARG80:HH21	:4MSOB:S14
	3	SER83	1.98	A:SER83:H	:4MSOB:O11
	4	SER135	2.12	A:SER135:H	:4MSOB:O2
	5	ILE28	2.54	:4MSOB:Fe3	A:ILE28:O
	6	MET81	2.50	:4MSOB:Fe3	A:MET81:O
Non-bonded interacting residues:	HIS26, GLY27, VAL31, GLY32, GLY78, THR79, GLY85, MET133, ALA134, ASP136, GLU137, HIS322, GLU334, ASP333.