CreatePredAlphaCost pred_alpha2k alpha11 T0241.t2k.alpha.rdb 2 alpha alpha_prev sum
CreatePredAlphaCost pred_alpha04 alpha11 T0241.t04.alpha.rdb 2 alpha alpha_prev sum

SetCost wet6.5 5 near_backbone 3 way_back 3 dry5 10 dry6.15 6 dry8 5 dry12 2 \
	phobic_fit 2 \
	sidechain 1 \
	bystroff 5 \
	soft_clashes 10  backbone_clashes 2 \
	break 20  \
	pred_alpha2k 1 \
	pred_alpha04 5 \
	constraints 10 \
	hbond_geom 1 \
	hbond_geom_backbone 1 \
	hbond_geom_beta 4 \
	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.

HelixConstraint 	Y8	L16	1
HelixConstraint 	L25	L30	1
HelixConstraint 	Y93	K103	1
HelixConstraint 	Q136	K142	1
HelixConstraint 	Q223	S234	1

StrandConstraint	V4	F6	0.3
StrandConstraint	E45	M49	1
StrandConstraint	K52	I56	1
StrandConstraint	L62	E64	1
StrandConstraint	F73	H78	1
# StrandConstraint	F110	T126	0.6689
StrandConstraint	V109	L115	1
StrandConstraint	M121	T126	1
StrandConstraint	G154	F159	1
StrandConstraint	L175	I178	0.5
StrandConstraint	H187	D194	01
StrandConstraint	A196	S201	1
StrandConstraint	E205	Q209	1


SheetConstraint M46 M49	Q55 K52	hbond I47	5
SheetConstraint Y54 D57	E64 K61	hbond Q55	5
SheetConstraint H174 I178	L191 H187

# from try1-opt2.sheets
SheetConstraint Y111 T116	T179 H174	hbond A112	7
SheetConstraint Y111 L115	K123 F119 	hbond V113	7
#SheetConstraint G154 Y160 	N169 N163 	hbond L156	7
#SheetConstraint N163 V170	E180 F173 	hbond Y164	7

# hand-picked sheet constraints to insert the predicted strand 186-193
SheetConstraint G154 Y160 	Q192 G186 	hbond L156	7
SheetConstraint G186 F193	E180 F173 	hbond H187	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 T38.CB P72.CB -10. 7.0 14.0 0.669
Constraint V75.CB F193.CB -10. 7.0 14.0 0.466 bonus
Constraint I11.CB L191.CB -10. 7.0 14.0 0.454 bonus
Constraint I11.CB I56.CB -10. 7.0 14.0 0.424 bonus
Constraint I203.CB D214.CB -10. 7.0 14.0 0.364 bonus
Constraint I11.CB Y164.CB -10. 7.0 14.0 0.345 bonus
Constraint A112.CB L198.CB -10. 7.0 14.0 0.308 bonus
Constraint M34.CB F193.CB -10. 7.0 14.0 0.308 bonus
Constraint I39.CB F193.CB -10. 7.0 14.0 0.3 bonus