# CreatePredAlphaCost pred_alpha2k alpha11 T0203.t2k.alpha.rdb 2 alpha alpha_prev sum 
CreatePredAlphaCost pred_alpha04 alpha11 T0203.t04.alpha.rdb 2 alpha alpha_prev sum 

SetCost wet6.5 3 near_backbone 3 way_back 3 dry5 5 dry6.5 6 dry8 8 dry12 8 \
	phobic_fit 5 \
	sidechain 6 \
	bystroff 5 \
	soft_clashes 10  backbone_clashes 2 \
	break 50  \
	pred_alpha04 5 \
	constraints 50 \
	hbond_geom 0.1 \
	hbond_geom_backbone 0.2 \
	hbond_geom_beta 0.4 \
	hbond_geom_beta_pair 2 

#  	pred_alpha2k 5 \



// Add the following for extra-cellular proteins:
# 	known_ssbond 0.5	# and add SSbond commands
#	maybe_ssbond 0.5

// For comparative modeling, increase weight of break and hbond_geom...

// put any constraints here, such as helix constraints, strand constraints,
//	ssbond, hbond, or just arbitrary pairs of atoms.

include T0203.t04.stride-ebghtl.constraints
include T0203.t04.str2.constraints
include T0203.t04.alpha.constraints
include T0203.t04.bys.constraints
include T0203.t04.dssp-ebghstl.constraints
include T0203.t04.dssp-ehl2.constraints


# file generated by validate2rr
# based on 104 inputs.
# limited to raw score .7 or greater
Constraint	S90.CB	A124.CB	-10.	7.0	12.0	0.952
Constraint	V237.CB	I271.CB	-10.	7.0	12.0	0.924
Constraint	S90.CB	W120.CB	-10.	7.0	12.0	0.778
Constraint	V236.CB	I274.CB	-10.	7.0	12.0	0.741


# From try11-opt2.sheets

# SheetConstraint Y13 Y14	Q371 P372	hbond Y14
SheetConstraint A23 G28	V60 S65	hbond T25	5.0
# SheetConstraint Q24 I27	Q371 T368	hbond W26
# SheetConstraint W120 A124	G131 G127	hbond F122
# SheetConstraint E179 K184	W210 L215	hbond L182
# SheetConstraint L211 L215	R252 P248	hbond R213
SheetConstraint M228 A232	S240 V236	hbond C230
SheetConstraint G235 L238	L282 T285	hbond V237
SheetConstraint F314 A317	P324 I321	hbond Y315


# Almost formed in try11-opt2
SheetConstraint N313 A317	Q325 I321	Hbond Y315	5.0
SheetConstraint S347 G350	I321 P324 	hbond I322	5.0
SheetConstraint V60 A64		R81  M85	hbond V62	5.0

# from try7-opt2.sheets
# SheetConstraint  Y13  Y14	 Q371  P372	hbond  Y14
# SheetConstraint  Q24  I27	 Q371  T368	hbond  W26
# SheetConstraint  N121  A124	 D130  G127	hbond  F122
# SheetConstraint  G172  V176	 N183  E179	hbond  C174
# SheetConstraint  E178  K184	 I209  L215	hbond  L182
# SheetConstraint  I209  Y216	 V254  D247	hbond  L211
# SheetConstraint  Q249  R252	 A266  S263	hbond  E251
SheetConstraint  F314  A317	 P324  I321	hbond  Y315 3.0