CreatePredAlphaCost pred_alpha2k alpha11 T0384.t2k.alpha.rdb 2 alpha alpha_prev sum
CreatePredAlphaCost pred_alpha04 alpha11 T0384.t04.alpha.rdb 2 alpha alpha_prev sum
CreatePredAlphaCost pred_alpha06 alpha11 T0384.t06.alpha.rdb 2 alpha alpha_prev sum

SetCost wet6.5 15 near_backbone 5 way_back 5 dry5 40 dry6.5 30 dry8 25 dry12 6 \
	phobic_fit 2 \
	sidechain 5 \
	n_ca_c	5 bad_peptide 10 \
	bystroff 5 \
	soft_clashes 80  backbone_clashes 2 \
	break 250  \
	pred_alpha2k 2 \
	pred_alpha04 2 \
	pred_alpha06 2 \
	constraints 60 \
	hbond_geom 5 \
	hbond_geom_backbone 10 \
	hbond_geom_beta 50 \
	hbond_geom_beta_pair 100 \
	missing_atoms 1 \
	maybe_metal 0.5 \
	maybe_ssbond 1

// remove maybe_ssbond weight if protein known to be in reducing environment.
// remove maybe_metal weight if protein known to have disulfides or
//	known not to bind metal ions.

// Add the following for extra-cellular proteins:
#	known_ssbond 0.5	# and put ssbond command in constraints file

// 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.


#include T0384.dssp-ehl2.constraints
#include T0384.undertaker-align.sheets
#include rr.constraints

# adding constraints to fix out of phase strand Q262-P269
# used o-sep
Hbond		N264.O		D260.N		1
Hbond		V266.O		F258.N		1

#try1.sheets #wt increased to 10
SheetConstraint (T0384)L2 (T0384)L4	(T0384)Y26 (T0384)L28	hbond (T0384)L2	10
SheetConstraint (T0384)L4 (T0384)G8	(T0384)L65 (T0384)A69	hbond (T0384)G5	10
SheetConstraint (T0384)G5 (T0384)G8	(T0384)A30 (T0384)S33	hbond (T0384)V6	10
SheetConstraint (T0384)I49 (T0384)L51	(T0384)I31 (T0384)S33	hbond (T0384)Q50	10
SheetConstraint (T0384)L65 (T0384)I68	(T0384)H88 (T0384)L91	hbond (T0384)V66	10
SheetConstraint (T0384)H88 (T0384)E92	(T0384)F115 (T0384)A119	hbond (T0384)V89	10
SheetConstraint (T0384)F145 (T0384)S152	(T0384)Y239 (T0384)S232	hbond (T0384)F145	10
SheetConstraint (T0384)D144 (T0384)S152	(T0384)Q221 (T0384)N229	hbond (T0384)N146	10
SheetConstraint (T0384)D195 (T0384)Q202	(T0384)Y217 (T0384)N210	hbond (T0384)A196	10
SheetConstraint (T0384)A196 (T0384)Y198	(T0384)E322 (T0384)R320	hbond (T0384)T197	10
SheetConstraint (T0384)N210 (T0384)Y217	(T0384)K228 (T0384)Q221	hbond (T0384)G211	10
SheetConstraint (T0384)P235 (T0384)T240	(T0384)N248 (T0384)G243	hbond (T0384)C236	10
SheetConstraint (T0384)T246 (T0384)T249	(T0384)T259 (T0384)A256	hbond (T0384)T246	10
#SheetConstraint (T0384)S255 (T0384)D260	(T0384)L268 (T0384)G263	hbond (T0384)A256	10
#new
SheetConstraint (T0384)I257 (T0384)D260	(T0384)Q267 (T0384)N264	hbond (T0384)D260	25