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 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_alpha2k 3 \
	pred_alpha04 3 \
	constraints 30 \
	hbond_geom 1 \
	hbond_geom_backbone 1 \
	hbond_geom_beta 6 \
	hbond_geom_beta_pair 10

// 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.

#include T0218.t2k.dssp-ehl2.constraints
#include T0218.t2k.dssp-ebghstl.constraints
#include T0218.t2k.stride-ebghtl.constraints
#include T0218.t2k.str2.constraints
#include T0218.t2k.alpha.constraints
#include T0218.t2k.bys.constraints

#include T0218.t04.dssp-ehl2.constraints
#include T0218.t04.dssp-ebghstl.constraints
#include T0218.t04.stride-ebghtl.constraints
#include T0218.t04.str2.constraints
#include T0218.t04.alpha.constraints
#include T0218.t04.bys.constraints

# from a consensus between t04 and t2k str2 and dssp-ehl2 predictions
HelixConstraint		A8	E17	10
HelixConstraint		G66	V73	10
HelixConstraint		I132	M148	10
HelixConstraint		K186	L195	10
HelixConstraint		P244	T256	10
HelixConstraint		I276	Y286	10
HelixConstraint		K290	Y300	10

StrandConstraint	Q44	V48	10
StrandConstraint	K51	T59	10
StrandConstraint	G74	W78	10
StrandConstraint	I117	V122	10
StrandConstraint	I152	V155	10
StrandConstraint	I173	N178	10
StrandConstraint	K214	L221	10
StrandConstraint	G229	E234	10


#SheetConstraint	I152 V155	V176 I173	Hbond L153	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 0.457 bonus
Constraint I67.CB M203.CB -10. 7.0 14.0 0.43 bonus
Constraint I132.CB M203.CB -10. 7.0 14.0 0.427 bonus
Constraint I67.CB I132.CB -10. 7.0 14.0 0.424 bonus
Constraint F119.CB L287.CB -10. 7.0 14.0 0.409 bonus
Constraint F189.CB M203.CB -10. 7.0 14.0 0.378 bonus
Constraint V237.CB L287.CB -10. 7.0 14.0 0.323 bonus
Constraint I67.CB F189.CB -10. 7.0 14.0 0.308 bonus
Constraint I132.CB F189.CB -10. 7.0 14.0 0.305 bonus