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 8  backbone_clashes 2 \
	break 15  \
	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.

# from T0202.t2k.dssp-ehl2.constraints
StrandConstraint	A3	Y7	0.6205
StrandConstraint	H12	R15	0.7029
HelixConstraint 	K21	V27	0.627
StrandConstraint	F42	S45	0.9165
HelixConstraint 	G50	K58	0.674
StrandConstraint	P64	N69	0.6104
HelixConstraint 	P81	A91	0.7067
StrandConstraint	E96	A107	0.6157
StrandConstraint	A113	V119	0.6461
StrandConstraint	M127	V134	0.685
StrandConstraint	V137	R143	0.6002
StrandConstraint	G146	V149	0.7412
# HelixConstraint 	Y158	F160	0.651
StrandConstraint	C173	I177	0.6447
StrandConstraint	Y189	V191	0.6917
StrandConstraint	K196	A201	0.7313
StrandConstraint	K212	F216	0.6875
StrandConstraint	I220	K224	0.6294
StrandConstraint	A229	N234	0.6836
StrandConstraint	L241	G243	0.6972


#initial hairpin
Hbond A4.N	I16.O	0.2
Hbond A4.O	I16.N	0.2
Hbond V6.N	K14.O	1.0
Hbond V6.O	K14.N	1.0	# 3.30677
Hbond K8.N	H12.O	1.0	# 2.93812

#parallel strands	(From fold-recognition and try5-opt2)
Hbond I43.N	P64.O		1.0	# 3.03669
Hbond I43.O	F66.N		1.0	# 2.87567
Hbond S45.N	F66.O		1.0	# 2.86505
Hbond S45.O	I68.N		1.0	# 2.84848
Hbond G47.N	I68.O		1.0	# 3.33917
hbond G47.O	T70.N		1.0	# 2.873


# from try3-opt2 with some extensions


# Hbond V44.N	T221.O		0.5
# Hbond V44.O	E223.N		0.5
# Hbond V46.N	E223.O		1.0	# 3.04182

Hbond S106.N	A113.O		1.0	# 2.8282
Hbond S106.O	A113.N		1.0	# 2.87144
Hbond M108.N	V111.O		1.0	# 2.72789
Hbond M108.O	V111.N		0.5

Hbond I128.O	R143.N		1.0	# 2.92755
Hbond V130.N	R141.O		1.0	# 3.00778
Hbond V130.O	R141.N		1.0	# 2.8532
Hbond L132.N	V139.O		1.0	# 2.70637
Hbond L132.O	V139.N		1.0	# 2.87257
Hbond V134.N	V137.O		1.0	# 2.89676
Hbond V134.O	V137.N		0.5



// try changing phase from
# Hbond S213.O	K224.N		1.0	# 3.01406
# Hbond D215.N	I222.O		1.0	# 2.84428
# Hbond D215.O	I222.N		1.0	# 2.91428
# Hbond D217.N	I220.O		1.0	# 2.7675
# Hbond D217.O	I220.N		0.5
// to this
Hbond K212.N	K224.O	1.0
Hbond K212.O	K224.N	1.0
Hbond V214.N	I222.O	1.0
Hbond V214.O	I222.N	1.0
Constraint D215.CB	T221.CB	3	5.2	7		1.0
Hbond F216.N	I220.O	1.0
Hbond F216.O	I220.N	1.0

Hbond	E219.N	K233.O	0.5
Hbond	E219.O	K233.N	0.5
Hbond	T221.N	F231.O	0.5
Hbond	T221.O	F231.N	0.5
Hbond	E223.N	A229.O	0.5
Hbond	E223.O	A229.N	0.5


// Not sure of phase here:
# Hbond F232.O	N240.N		1.0	# 3.03822
# Hbond N234.N	F238.O		1.0	# 2.98369
# Hbond K233.N	N240.O		0.5
# Hbond K233.O	N240.N		0.5
# Hbond E235.O	F238.N		0.5
# Hbond E235.N	F238.O		0.5


# From mutual information constraints:
Constraint R22.CB T70.CB -10. 7.0 12.0 0.107743
Constraint D145.CB Y158.CB -10. 7.0 12.0 0.108538
Constraint F160.CB K187.CB -10. 7.0 12.0 0.105588
Constraint E82.CB K233.CB -10. 7.0 12.0 0.105539