# 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  \
	constraints 10 \
	hbond_geom 5 \
	hbond_geom_backbone 10 \
	hbond_geom_beta 50 \
	hbond_geom_beta_pair 100 



# 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


# Note: constraints only applied to first chain.