CreatePredAlphaCost pred_alpha2k alpha11 T0202.t2k.alpha.rdb 2 alpha alpha_prev sum 
CreatePredAlphaCost pred_alpha04 alpha11 T0202.t04.alpha.rdb 2 alpha alpha_prev sum 

SetCost wet6.5 9 near_backbone 3 way_back 3 dry5 10 dry6.5 10 dry8 10 dry12 5 \
	phobic_fit 4 \
	sidechain 6 \
	bystroff 5 \
	soft_clashes 20  backbone_clashes 2 \
	break 40  \
	pred_alpha2k 5 \
	pred_alpha04 5 \
	constraints 10 \
	hbond_geom 0.1 \
	hbond_geom_backbone 0.1 \
	hbond_geom_beta 0.4 \
	hbond_geom_beta_pair 1.2

// 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
HelixConstraint 	K21	V27	10
HelixConstraint 	G50	K58	10
HelixConstraint 	P81	A91	10
# HelixConstraint 	Y158	F160	0.1

StrandConstraint	A3	Y7	8	#s1
# StrandConstraint	H12	R15	1	#s2 ?
StrandConstraint	F42	S45	8	#s3
StrandConstraint	P64	N69	8	#s4
StrandConstraint	E96	F100	8	#s5
StrandConstraint	V103	A107	8	#s6
StrandConstraint	A113	V119	8	#s7
StrandConstraint	M127	V134	8	#s8
StrandConstraint	V137	R143	8	#s9
StrandConstraint	G146	V149	8	#s10
StrandConstraint	C173	I177	8	#s11
StrandConstraint	Y189	V191	8	#s12
StrandConstraint	K196	A201	8	#s13
StrandConstraint	I205	A208	1	#s14
StrandConstraint	K212	F216	8	#s15
StrandConstraint	I220	K224	8	#s16
StrandConstraint	A229	N234	8	#s17
# StrandConstraint	L241	G243	1	#s18


# SheetConstraint A3 Y7   	I16 H12	hbond V5	1	#s1 ^v s2


SheetConstraint E96  R99	C105 R102 hbond R102	4	# s5 ^v s6
SheetConstraint R102 A107	I117 L112 hbond C105	4	# s6 ^v s7
SheetConstraint L112 L120	R133 A125 hbond D129	4	# s7 ^v s8
SheetConstraint I128 V134	R143 V137 hbond L132	4	# s8 ^v s9
SheetConstraint	R141 C144	A150 F147 hbond C144	2	# s9 ^v s10

SheetConstraint F147 T151	F174 P178 hbond A150	6	# s10 || s11

SheetConstraint Q211 F216	S225 I220 hbond D215	6	# s15 ^v s16
SheetConstraint E219 E223	K233 A229 hbond F232	6	# s16 ^v s17


SheetConstraint Q211 F216	F42 G47   hbond V44	1	# s15 || s3
SheetConstraint F42 G47 	P64 N69	  hbond I43	6	# s3 || s4
SheetConstraint	P64 N69		Q152 F147 hbond I65	1	# s4 ^v s10


# bring conserved ASP together (catalytic triad??)

Constraint D49.CG	D217.CG		-10 6.0	9.0	5
Constraint D145.CG	D217.CG		-10 6.0	9.0	5
Constraint D49.CG	D145.CG		-10 6.0	9.0	5