SetCost wet6.5 3 near_backbone 3 way_back 3 dry5 5 dry6.5 6 dry8 5 dry12 2 \ sidechain 6 \ bystroff 5 \ soft_clashes 10 backbone_clashes 2 \ break 20 \ pred_alpha2 5 \ constraints 10 \ hbond_geom 0.1 \ hbond_geom_backbone 0.1 \ hbond_geom_beta 0.4 \ hbond_geom_beta_pair 1 // Took out phobic_fit, since structure SHOULD have long tail. # phobic_fit 2 \ // Add the following for extra-cellular proteins: # known_ssbond 0.5 # and put ssbond command in constraints file # maybe_ssbond 0.5 // For comparative modeling, increase weight of break and hbond_geom... // put any constraints here, such as helix constraints, strand constraints, // ssbond, hbond, or just arbitrary pairs of atoms. include T0206.t2k.dssp-ehl2.constraints include T0206.t2k.str2.constraints // Make the collagen structure: Constraint P21.CG P24.CG 9.2 9.5 10.5 1.0 Constraint P24.CG P27.CG 9.2 9.5 10.5 1.0 Constraint P27.CG P30.CG 9.2 9.5 10.5 1.0 Constraint P30.CG P33.CG 9.2 9.5 10.5 1.0 Constraint P33.CG P36.CG 9.2 9.5 10.5 1.0 Constraint P36.CG P39.CG 9.2 9.5 10.5 1.0 Constraint P39.CG P42.CG 9.2 9.5 10.5 1.0 Constraint P51.CG P54.CG 9.2 9.5 10.5 1.0 Constraint P54.CG P57.CG 9.2 9.5 10.5 1.0 Constraint P57.CG P60.CG 9.2 9.5 10.5 1.0 Constraint P60.CG P63.CG 9.2 9.5 10.5 1.0 Constraint P72.CG P75.CG 9.2 9.5 10.5 1.0 Constraint P75.CG P78.CG 9.2 9.5 10.5 1.0 Constraint P21.CG P27.CG 16.7 17.1 17.5 1.0 Constraint P24.CG P30.CG 16.7 17.1 17.5 1.0 Constraint P27.CG P33.CG 16.7 17.1 17.5 1.0 Constraint P30.CG P36.CG 16.7 17.1 17.5 1.0 Constraint P33.CG P39.CG 16.7 17.1 17.5 1.0 Constraint P36.CG P42.CG 16.7 17.1 17.5 1.0 Constraint P51.CG P57.CG 16.7 17.1 17.5 1.0 Constraint P54.CG P60.CG 16.7 17.1 17.5 1.0 Constraint P57.CG P63.CG 16.7 17.1 17.5 1.0 Constraint P72.CG P78.CG 16.7 17.1 17.5 1.0 Constraint G23.CA G26.CA 8.3 8.6 8.9 1.0 Constraint G26.CA G29.CA 8.3 8.6 8.9 1.0 Constraint G29.CA G32.CA 8.3 8.6 8.9 1.0 Constraint G32.CA G35.CA 8.3 8.6 8.9 1.0 Constraint G35.CA G38.CA 8.3 8.6 8.9 1.0 Constraint G38.CA G41.CA 8.3 8.6 8.9 1.0 Constraint G41.CA G44.CA 8.3 8.6 8.9 1.0 Constraint G44.CA G47.CA 8.3 8.6 8.9 1.0 Constraint G47.CA G50.CA 8.3 8.6 8.9 1.0 Constraint G50.CA G53.CA 8.3 8.6 8.9 1.0 Constraint G53.CA G56.CA 8.3 8.6 8.9 1.0 Constraint G56.CA G59.CA 8.3 8.6 8.9 1.0 Constraint G59.CA G62.CA 8.3 8.6 8.9 1.0 Constraint G62.CA G65.CA 8.3 8.6 8.9 1.0 Constraint G65.CA G68.CA 8.3 8.6 8.9 1.0 Constraint G68.CA G71.CA 8.3 8.6 8.9 1.0 Constraint G71.CA G74.CA 8.3 8.6 8.9 1.0 Constraint G74.CA G77.CA 8.3 8.6 8.9 1.0 Constraint G77.CA G80.CA 8.3 8.6 8.9 1.0