CreatePredAlphaCost pred_alpha2k alpha11 T0203.t2k.alpha.rdb 2 alpha alpha_prev sum 
CreatePredAlphaCost pred_alpha04 alpha11 T0203.t04.alpha.rdb 2 alpha alpha_prev sum 

SetCost wet6.5 3 near_backbone 3 way_back 3 dry5 5 dry6.5 6 dry8 8 dry12 8 \
	phobic_fit 5 \
	sidechain 6 \
	bystroff 5 \
	soft_clashes 10  backbone_clashes 2 \
	break 40  \
	pred_alpha04 6 \
 	pred_alpha2k 6 \
	constraints 20 \
	hbond_geom 0.1 \
	hbond_geom_backbone 0.2 \
	hbond_geom_beta 0.4 \
	hbond_geom_beta_pair 1.8




// Add the following for extra-cellular proteins:
# 	known_ssbond 0.5	# and add SSbond commands
#	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 T0203.t04.stride-ebghtl.constraints
include T0203.t04.str2.constraints
include T0203.t04.alpha.constraints
include T0203.t04.bys.constraints
include T0203.t04.dssp-ebghstl.constraints
include T0203.t04.dssp-ehl2.constraints

include T0203.t2k.stride-ebghtl.constraints
include T0203.t2k.str2.constraints
include T0203.t2k.alpha.constraints
include T0203.t2k.bys.constraints
include T0203.t2k.dssp-ebghstl.constraints
include T0203.t2k.dssp-ehl2.constraints

# file generated by validate2rr
# based on 104 inputs.
# limited to raw score .7 or greater
# Constraint	S90.CB	A124.CB	-10.	7.0	12.0	0.952
Constraint	V237.CB	I271.CB	-10.	7.0	12.0	0.924
Constraint	S90.CB	W120.CB	-10.	7.0	12.0	0.778
Constraint	V236.CB	I274.CB	-10.	7.0	12.0	0.741

# constraints from the t04-thin35
# Constraint A40.CB D79.CB -10. 7.0 12.0  1.28003
# Constraint H11.CB V259.CB -10. 7.0 12.0 0.909871
# Constraint G12.CA F57.CB -10. 7.0 12.0 0.864246
# Constraint S90.CB A116.CB -10. 7.0 12.0 0.719616

# constraints from the t04-thin40
# Constraint P77.CB T246.CB -10. 7.0 12.0 0.858271
Constraint P77.CB K145.CB -10. 7.0 12.0 0.708367
Constraint N35.CB V46.CB -10. 7.0 12.0 0.701345

# constraints from the t04-thin62
# Constraint N35.CB T242.CB -10. 7.0 12.0 0.865302
Constraint T242.CB Q249.CB -10. 7.0 12.0 0.806991
# Constraint N35.CB S90.CB -10. 7.0 12.0 0.803925


#from try16-opt2.sheets

SheetConstraint Q24 I27 	T61 A64 	hbond T25	5.0

# SheetConstraint Q24 W26 	Q371 Q369 	hbond W26	
# back up 2 and lengthen
SheetConstraint Q24 I27 	Q369 C366 	hbond W26	5.0

# SheetConstraint W120 A124	G131 G127	hbond F122
# find better pairing
SheetConstraint R81 M85		S95 W91		hbond D94	5.0
SheetConstraint	W91 S95 	R102 T98	hbond S95	5.0
SheetConstraint T98 R102	D119 I115	hbond V101	1.0		

# SheetConstraint G127 A128	H157 S158	hbond A128
# SheetConstraint I160 L161	N129 D130	hbond I160
# SheetConstraint G131 C132	D169 V168	hbond C132
# still questionable, but possible
SheetConstraint G127 G131	M159 G163	hbond A128	2.0

# cluster conserved
Constraint  D169.OD2 H224.NE2	3.0 6.0 8.0	1
Constraint  N187.CG H224.NE2	3.0 6.0 8.0	1

# I don't really like E178-N183 as a strand, but I don't see much choice
SheetConstraint G172 V176	N183 E179	hbond C174	1.0
SheetConstraint E178 N183	I209 G214	hbond L182	1.0

# cluster conserved
Constraint  D226.OD2 C366.SG	3.0 6.0 8.0	1
Constraint  D226.OD2 N313.CG	3.0 6.0 8.0	1
Constraint  N313.CG  C366.SG	3.0 6.0 8.0	1


# I don't believe these
# SheetConstraint L211 Y216	R252 D247	hbond R213
# SheetConstraint M228 A232	S240 V236	hbond C230

SheetConstraint G235 L238	L282 T285	hbond V237	3.0

# lengthened
SheetConstraint V312 A317	F326 I321	hbond Y315	3.0