SetCost wet6.5 6 near_backbone 3 way_back 3 dry5 7 dry6.5 8 dry8 7 dry12 2 \
	phobic_fit 2 \
	sidechain 6 \
	bystroff 5 \
	soft_clashes 50  backbone_clashes 2 \
	constraints 10 \
	break 70  \
	pred_alpha2 5 \
	hbond_geom 0.1 \
	hbond_geom_backbone 0.1 \
	hbond_geom_beta 0.5 \
	hbond_geom_beta_pair 1.2

// For the Zn binding site pull together 2 cys and 2 his
// by analogy with 1guq
Constraint C63.SG	H133.ND1	0	3.5	7	1
Constraint C66.SG	H184.ND1	0	3.5	7	1
Constraint C66.SG	C63.SG    	0	3.5	7	1

// For the Fe binding site try 2 cysteines that are not in the helix
// used by 1guq to go with Histidines in the strands
Constraint H310.ND1	H255.ND1	0	3.5	7	1
Constraint C216.SG	C219.SG    	0	3.5	7	1
Constraint C216.SG	H310.ND1	0	3.5	7	1
Constraint C219.SG	H255.ND1	0	3.5	7	1

// The loop E104-G120 sticks out, but in dimer 1guq it contributes to a sheet
// with the other monomer, so specify small part of it as a strand
StrandConstraint	R116	V119	0.5

// The N-terminal helix causes a conflict in the dimerization. Try to
// pin it to the C-terminal helix
Constraint A7.CA	V344.CA		0	5.0	10	1
// And try a saltbridge to get it closer
Hbond	R10.NH1	E339.OD2	1.0
Hbond	R10.NH2	E339.OD1	1.0