CreatePredAlphaCost pred_alpha2k alpha11 T0218.t2k.alpha.rdb 2 alpha alpha_prev sum
CreatePredAlphaCost pred_alpha04 alpha11 T0218.t04.alpha.rdb 2 alpha alpha_prev sum

SetCost wet6.5 5 near_backbone 3 way_back 3 dry5 10 dry6.5 7 dry8 5 dry12 5 \
	phobic_fit 4 \
	sidechain 3 \
	bystroff 5 \
	soft_clashes 10  backbone_clashes 2 \
	break 60  \
	pred_alpha2k 1 \
	pred_alpha04 5 \
	constraints 10 \
	hbond_geom 1 \
	hbond_geom_backbone 1 \
	hbond_geom_beta 7 \
	hbond_geom_beta_pair 15

// 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,
//	sheet constraints, ssbonds, hbonds, or just arbitrary pairs of atoms.


# from t04 dssp-ehl2 constraints

HelixConstraint         I5      E14     6.144
StrandConstraint        Q44     V48     6.26
StrandConstraint        R52     I58     7.439
StrandConstraint        L118    V121    6.487
HelixConstraint         I132    M148    6.033
StrandConstraint        L153    V155    7.328
StrandConstraint        I173    N178    6.226
HelixConstraint         K186    F194    6.275
StrandConstraint        K214    L221    7.137
StrandConstraint        G229    E234    6.456
HelixConstraint         P244    T256    6.384
HelixConstraint         I276    Y286    6.341
HelixConstraint         K290    L297    6.188

# from t04 bys constraints
StrandConstraint        T23     E26     7.48
StrandConstraint        L31     E32     6.28
StrandConstraint        V76     D79     6.89
StrandConstraint        T84     S89     6.06
StrandConstraint        K92     P94     6.51

# additional constraints from t04 bys constraints
StrandConstraint        R200    S201    6.95
StrandConstraint        M203    S206    6.27
StrandConstraint        K214    D223    6.39
StrandConstraint        G229    V237    7.0





SheetConstraint	L42 V48 	R57 K51		hbond L42	10	
SheetConstraint Y218 I222	G229 E225	hbond Y218	10

# from try8-opt2.sheets
SheetConstraint Q36 E38		D43 I41   	hbond E38	14
SheetConstraint I46 V48		R53 K51   	hbond V48	14
SheetConstraint L153 V155	L175 K177 	hbond I154	14

# from align1.sheets
SheetConstraint Q22 E26   	I46 L42   	hbond T23	7
SheetConstraint E27 E32   	I41 Q36   	hbond S28	7
SheetConstraint K51 S54   	D79 V76   	hbond K51	7
SheetConstraint F55 V56   	G74 V73   	hbond V56	7
SheetConstraint G74 R80   	F102 K96  	hbond G74	7

# from align5.sheets
SheetConstraint P172 N178 	V205 K199 	hbond G174	7
SheetConstraint K202 V205 	I222 V219 	hbond F204	7

# file generated by validate2rr
# based on 280 inputs
# using the NN280-240n300.net.28 network
# limited to score of .30 or greater.
# The score is an approximation of the probability
Constraint R52.CB V237.CB -10. 7.0 14.0 4.57 bonus
Constraint I67.CB M203.CB -10. 7.0 14.0 4.3 bonus
Constraint I132.CB M203.CB -10. 7.0 14.0 4.27 bonus
Constraint I67.CB I132.CB -10. 7.0 14.0 4.24 bonus
Constraint F119.CB L287.CB -10. 7.0 14.0 4.09 bonus
Constraint F189.CB M203.CB -10. 7.0 14.0 3.78 bonus
Constraint V237.CB L287.CB -10. 7.0 14.0 3.23 bonus
Constraint I67.CB F189.CB -10. 7.0 14.0 3.08 bonus
Constraint I132.CB F189.CB -10. 7.0 14.0 3.05 bonus