CreatePredAlphaCost pred_alpha2k alpha11 T0272.t2k.alpha.rdb 2 alpha alpha_prev sum
CreatePredAlphaCost pred_alpha04 alpha11 T0272.t04.alpha.rdb 2 alpha alpha_prev sum

SetCost wet6.5 10 near_backbone 5 way_back 5 dry5 15 dry6.5 25 dry8 15 dry12 5 \
	phobic_fit 2 \
	sidechain 1 \
	bystroff 5 \
	soft_clashes 10  backbone_clashes 2 \
	break 10  \
	pred_alpha2k 2 \
	pred_alpha04 4 \
	constraints 30 \
	hbond_geom 1 \
	hbond_geom_backbone 1 \
	hbond_geom_beta 5 \
	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.

#from T0272.t2k.dssp-ehl2.constraints
# HelixConstraint 	A15	D18	0.7007
# HelixConstraint 	P22	A32	0.6534
# HelixConstraint 	P119	E132	0.7646
# HelixConstraint 	D151	L154	0.6004
# HelixConstraint 	P185	R193	0.8437
# 
# StrandConstraint	L3	V7	0.689
# StrandConstraint	L45	R47	0.7465
# StrandConstraint	V58	Q62	0.8361
# StrandConstraint	Q78	V79	0.6982
# StrandConstraint	R94	A101	0.7432
# StrandConstraint	L168	V182	0.7284

# from T0272.t04.dssp-ehl2.constraints
HelixConstraint 	S12 	D18 	6.372
HelixConstraint 	P22 	V33 	6.279
HelixConstraint 	E121	R129	6.312
HelixConstraint 	W145	Q147	.6048
HelixConstraint 	T152	F153	.6268
HelixConstraint 	P185	R193	8.923

StrandConstraint	W2  	V7  	7.252	# s1
StrandConstraint	L44 	R47 	7.005	# s2
StrandConstraint	V58 	Q62 	8.486	# s3
StrandConstraint	R94 	A101	7.096	# s4
StrandConstraint	K105	L107	6.3  	# s5
StrandConstraint	R113	A115	6.62 	# s6
#StrandConstraint	L168	V182	8.2  	# s7
StrandConstraint	L168	F176	8.143	# s7a
StrandConstraint	R179	V182	7.871	# s7b
StrandConstraint	L206	S208	6.499	# s8

# from align2.sheets
SheetConstraint W46 E49   T63 L60   hbond R47	10
SheetConstraint V59 T63   L99 L95   hbond V61	10
SheetConstraint W69 D73   A120 L116 hbond V71	10
SheetConstraint F97 R100  L107 A104 hbond R98	10
SheetConstraint D151 L154 G205 L202 hbond F153	10
SheetConstraint G178 L180 L192 A190 hbond L180	3
SheetConstraint R193 G195 G205 G203 hbond R194	3

# 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 L29.CB L95.CB -10. 7.0 14.0 0.517 
Constraint V59.CB L99.CB -10. 7.0 14.0 0.361 
Constraint V182.CB L206.CB -10. 7.0 14.0 0.329 bonus
Constraint L99.CB L192.CB -10. 7.0 14.0 0.3 bonus

# another long shot - constraints from thin35
Constraint E132.CB Q147.CB -10. 7.0 12.0 0.661735	bonus
Constraint Y76.CB A109.CB -10. 7.0 12.0 0.640172	bonus
Constraint E39.CB P50.CB -10. 7.0 12.0 0.551715 	bonus
Constraint W145.CB K159.CB -10. 7.0 12.0 0.546168	bonus