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



SheetConstraint	R29 E33		G50 I46		hbond L31	14
SheetConstraint Q36 E38		I45 D43		hbond R37	14
SheetConstraint L42 D49		T60 R53		hbond D43	14
SheetConstraint F55 T60		L87 G82		hbond V56	14
SheetConstraint A75 I77		K85 G83		hbond A75	14
SheetConstraint A75 V76		T23 F24		hbond V76	14


# 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