CreatePredAlphaCost pred_alpha2k alpha11 T0248.t2k.alpha.rdb 2 alpha alpha_prev sum
CreatePredAlphaCost pred_alpha04 alpha11 T0248.t04.alpha.rdb 2 alpha alpha_prev sum

#trying turning near_back and way_back up, from 3 to 7
SetCost wet6.5 3 near_backbone 7 way_back 7 dry5 5 dry6.5 6 dry8 5 dry12 2 \
	phobic_fit 4 \
	sidechain 4 \
	bystroff 5 \
	soft_clashes 10  backbone_clashes 2 \
	break 20  \
	pred_alpha2k 3 \	#looks more like the str2 predictions (t2k & t04)
	pred_alpha04 2 \
	constraints 20 \
	hbond_geom 1 \
	hbond_geom_backbone 1 \
	hbond_geom_beta 5 \
	hbond_geom_beta_pair 10

#from try3-opt2.scwrl.helices
HelixConstraint I2	H18		3
HelixConstraint S21	H35		3
HelixConstraint F43	K58		3
HelixConstraint A63	A72		3
HelixConstraint V81	N100	3
HelixConstraint A109	Q117	3
HelixConstraint P131	K138	3
HelixConstraint F136	V148	3
HelixConstraint L157	F162	3
HelixConstraint F162	I169	3
HelixConstraint A203	L210	3
HelixConstraint L210	K220	3
HelixConstraint A228	A234	3
HelixConstraint P244	Q250	3
HelixConstraint L248	N265	3
HelixConstraint D272	D287	3
HelixConstraint D287	N294	3

# from T0248.t04.dssp-ehl2.constraints
StrandConstraint	V177	F180	10
StrandConstraint	Q186	L190	10
StrandConstraint	F188	K185	2	#weakly predicted

# trying to pack the helices! 
# switch distance to "3.0 7.0 5" later
Constraint G82.CA F84.CB -10. 7.0 14.0
Constraint F172.CB F84.CB -10. 7.0 14.0
Constraint I111.CB L190.CB -10. 7.0 14.0
Constraint L12.CB L25.CB -10. 7.0 14.0
Constraint F8.CB F29.CB -10. 7.0 14.0

# from try1-opt2.sheets - satisfied nicely in try4
SheetConstraint K187 L192	Q200 F195	hbond F188	10

# conjectured
SheetConstraint	V177 F180	F188 K185	1

#removed rr constraints for now; strongest is
#dubious; too close together on helix... and the
#rest don't seem close in try3