CreatePredAlphaCost pred_alpha2k alpha11 T0284.t2k.alpha.rdb 2 alpha alpha_prev sum
CreatePredAlphaCost pred_alpha04 alpha11 T0284.t04.alpha.rdb 2 alpha alpha_prev sum

SetCost wet6.5 15 near_backbone 5 way_back 5 dry5 15 dry6.5 20 dry8 15 dry12 5 \
	phobic_fit 2 \
	sidechain 8 \
	n_ca_c	5 bad_peptide 10 \
	bystroff 5 \
	soft_clashes 40  backbone_clashes 2 \
	break 100  \
	pred_alpha2k 3 \
	pred_alpha04 3 \
	constraints 10 \
	hbond_geom 5 \
	hbond_geom_backbone 10 \
	hbond_geom_beta 50 \
	hbond_geom_beta_pair 100 \
	missing_atoms 1

# from  5 alignments, try1-opt2 and try2-opt2
SheetConstraint C22 S27 	R229 G234	hbond Y23	1
SheetConstraint T25 V28		C44 L47 	hbond A26	1
SheetConstraint C44 L47 	P84 A87		hbond G45	1
SheetConstraint V85 D88 	A112 T115	hbond A87	1
SheetConstraint A112 I116	L154 A158	hbond I157	1
SheetConstraint I157 T160	G184 L187	hbond A158	1

# There is some question about the alignment of strand 7:
# SheetConstraint I185 C186	M208 L209	hbond I185	1
# SheetConstraint M208 T211	R229 V232	hbond V230	1
# but I prefer this alignment:
SheetConstraint G184 C186	P206 M208	hbond I185	1
SheetConstraint L207 L209	R229 V231	hbond V230	1


# from  5 alignments, try1-opt2 and try2-opt2
HelixConstraint L9	S20	1
HelixConstraint D30	L40	1
HelixConstraint G48	L54	1
HelixConstraint T66	R79	1
HelixConstraint N95	A109	1
HelixConstraint C134	A148	1
HelixConstraint D166	A180	1
HelixConstraint F193	L203	1
HelixConstraint D219	L226	1
HelixConstraint H235	A255	1
HelixConstraint E264	Y269	1
HelixConstraint Y269	Y275	1
HelixConstraint A277	M283	1
HelixConstraint D281	K286	1


# residues that co-ordinate the Mg ion, 
#	with distances from 1mum[AB] and 1xg4[ABD
constraint D61.CG D88.CG	7.0	7.2	7.5
constraint D61.CG D90.CG	5.9	6.3	6.5
constraint D61.CG E117.CD	7.9	8.2	8.6
constraint D61.CG R159.NH1	7.3	7.8	8.3

constraint D88.CG D90.CG	4.2	4.6	5.0
constraint D88.CG E117.CD	6.1	6.3	6.6
constraint D88.CG R159.NH1	5.2	5.6	5.8

constraint D90.CG E117.CD	4.9	5.2	5.4
constraint D90.CG R159.NH1	6.9	7.4	7.9

constraint E117.CD R159.NH1	4.3	4.6	4.8