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 20  \
	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

# conjectured hairpins

Hbond	R102.N	I117.O	0.5
Hbond	R102.O	I117.N	0.5
Hbond	S104.N	N115.O	0.5
Hbond	S104.O	N115.N	0.5
Hbond	S106.N	A113.O	0.5
Hbond	S106.O	A113.N	0.5
Hbond	M108.N	V111.O	0.5
Hbond 	M108.O	V111.N	0.5

Hbond	L112.N	R133.O	0.4
Hbond	L112.O	R133.N	0.4
Hbond	L114.N	A131.O	0.4
Hbond	L114.O	A131.N	0.4
Hbond 	E116.N	D129.O	0.4
Hbond	E116.O	D129.N	0.4
Hbond	A118.N	M127.O	0.4
Hbond 	A118.O	M127.N	0.4

Hbond	I128.N	R143.O	0.4
Hbond	I128.O	R143.N	0.4
Hbond	V130.N	R141.O	0.4
Hbond	V130.O	R141.N	0.4
Hbond	L132.N	V139.O	0.4
Hbond	L132.O	V139.N	0.4
Hbond	V134.N	V137.O	0.4
Hbond	V134.O	V137.N	0.4


# cluster conserved charged residues

Constraint D49.CG	E116.CD	-10	4	8	0.3
Constraint D49.CG	D145.CG	-10	4	8	0.3
Constraint D49.CG	D217.CG	-10	4	8	0.3
Constraint E116.CD	D145.CG	-10	4	8	0.3
Constraint E116.CD	D217.CG	-10	4	8	0.3
Constraint D145.CG	D217.CG	-10	4	8	0.3


# 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