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.

include T0202.t2k.dssp-ehl2.constraints

#initial hairpin
Hbond A4.N	I16.O	0.2
Hbond A4.O	I16.N	0.2
Hbond V6.N	K14.O	0.4
Hbond V6.O	K14.N	0.5
Hbond K8.N	H12.O	1.0	# 2.93812

#parallel strands	(From fold-recognition)
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


# 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


# from try3-opt2 with some extensions

Hbond V6.N	K14.O		0.5	
Hbond V6.O	K14.N		1.0	# 3.30677
Hbond K8.N	H12.O		1.0	# 3.32815

Hbond I43.N	P64.O		1.0	# 3.13847
Hbond I43.O	F66.N		1.0	# 3.06826
Hbond S45.N	F66.O		1.0	# 2.86575
Hbond S45.O	I68.N		1.0	# 2.84733
Hbond G47.N	I68.O		1.0	# 3.0062
Hbond G47.O	T70.N		1.0	# 2.8079

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

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

# Hbond F232.O	N240.N		1.0	# 3.03822
# Hbond K233.N	R239.O		1.0	# 3.04132
# 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