SetCost wet6.5 3 near_backbone 3 way_back 3 dry5 5 dry6.5 6 dry8 5 dry12 2 \
	phobic_fit 2 \
	sidechain 6 \
	bystroff 5 \
	soft_clashes 10  backbone_clashes 2 \
	break 40  \
	pred_alpha2 5 \
	constraints 10 \
	hbond_geom 0.1 \
	hbond_geom_backbone 0.1 \
	hbond_geom_beta 0.4 \
	hbond_geom_beta_pair 1

// Add the following for extra-cellular proteins:
#	known_ssbond 0.5	# and put ssbond command in constraints file
#	maybe_ssbond 0.5

// For comparative modeling, increase weight of break and hbond_geom...

// put any constraints here, such as helix constraints, strand constraints,
//	ssbond, hbond, or just arbitrary pairs of atoms.

# include T0204.t2k.dssp-ehl2.constraints

StrandConstraint	R33	F37	0.6299
StrandConstraint	L89	I92	0.716
StrandConstraint	F123	E129	0.6391
HelixConstraint 	P142	A160	0.6971
StrandConstraint	Y167	K172	0.7323
StrandConstraint	Q188	A191	0.6954
HelixConstraint 	T198	E212	0.6872
StrandConstraint	V227	E230	0.6217
StrandConstraint	F234	A238	0.7559
StrandConstraint	E247	I251	0.7316
HelixConstraint 	F259	H260	0.6218
HelixConstraint 	D264	Q284	0.6907
StrandConstraint	N291	I294	0.6246
StrandConstraint	H310	V316	0.6213
StrandConstraint	F325	E326	0.6002
HelixConstraint 	P338	R346	0.7121

// 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

// Try to pull the long linker S38-K88 closer in.
// By analogy with 1guq, pull the middle of it to a loop on the interior
Constraint D47.CA	S320.CA		0	3.5	7	0.5