ConstraintSet MQAC1.sheets
#   The longer of MQAC1-opt3 or try4-opt3

# from MQAC1
SheetConstraint (T0451)R107 (T0451)D113	(T0451)G127 (T0451)S121	hbond (T0451)A109	1

# lengthened to combine try3 and try4
SheetConstraint (T0451)F40 (T0451)P45	(T0451)C120 (T0451)Y125	hbond (T0451)W43	1

# from MQAC1
SheetConstraint (T0451)F112 (T0451)R115	(T0451)S121 (T0451)K118	hbond (T0451)R115	1

# from try4
SheetConstraint (T0451)T87 (T0451)F99	(T0451)V114 (T0451)K102	hbond (T0451)V89	1

# from MQAC1
SheetConstraint (T0451)I74 (T0451)V82	(T0451)G97 (T0451)V89	hbond (T0451)Q75	1
SheetConstraint (T0451)F40 (T0451)F44	(T0451)G55 (T0451)G51	hbond (T0451)F42	1


ConstraintSet MQAC1.helices
# first helix lengthened as in try3
HelixConstraint (T0451)S6	(T0451)G27
HelixConstraint (T0451)E28	(T0451)L36
HelixConstraint (T0451)G55	(T0451)H71


SetCost \
	align_constraints 50 \
	ehl2_constraints 5 \
	MQAC1.sheets 30 \
	MQAC1.helices 20 \
	nn1000 5 \
	two_stage 5 \
	pred_nb11_back 50 \
	pred_alpha_back 10 \
	pred_n_notor_back 5 \
	pred_bys_back 5 \
	pred_pb_back 3 \
	wet6.5 15  dry5 15 dry6.5 15 dry8 40 dry12 40 \
	phobic_fit 3 \
	sidechain 5 \
	n_ca_c	2 bad_peptide 5 \
	soft_clashes 400  backbone_clashes 10 \
	break 800  \
	hbond_geom 10 \
	hbond_geom_backbone 10 \
	hbond_geom_beta 20 \
	hbond_geom_beta_pair 40