CreatePredAlphaCost pred_alpha2k alpha11 T0270.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0270.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 1 \ bystroff 5 \ soft_clashes 10 backbone_clashes 2 \ break 20 \ pred_alpha2k 5 \ pred_alpha04 3 \ constraints 10 \ hbond_geom 1 \ hbond_geom_backbone 1 \ hbond_geom_beta 5 \ hbond_geom_beta_pair 10 // 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, // sheet constraints, ssbonds, hbonds, or just arbitrary pairs of atoms. # from T0270.t2k.dssp-ehl2.constraints HelixConstraint F26 W29 7.284 HelixConstraint L34 E53 6.876 HelixConstraint L83 S96 6.156 HelixConstraint F98 R100 6.345 HelixConstraint V128 R131 6.109 HelixConstraint A162 K178 6.048 HelixConstraint P207 G227 6.605 HelixConstraint E240 F246 7.519 StrandConstraint Y62 V67 6.315 StrandConstraint L74 N78 6.37 StrandConstraint Y106 E113 6.398 StrandConstraint Y141 Y145 6.55 StrandConstraint M184 Q191 6.011 StrandConstraint E197 F203 6.93 StrandConstraint F232 V234 6.351 #from T0270.t04.dssp-ehl2.constraints HelixConstraint F26 R28 6.346 HelixConstraint L34 E56 8.206 HelixConstraint D84 Y101 6.663 HelixConstraint A162 K178 7.621 HelixConstraint Q180 V186 6.172 HelixConstraint P207 M217 8.06 HelixConstraint D220 A224 6.29 HelixConstraint E240 F246 8.654 StrandConstraint I64 Q66 7.194 StrandConstraint L74 F76 6.114 StrandConstraint F108 E113 7.542 StrandConstraint Y141 P146 6.12 StrandConstraint W198 L202 6.914 StrandConstraint F232 V234 6.743 # file generated by validate2rr # based on 280 inputs # using the /projects/compbio/experiments/protein-predict/casp6/networks/NN280-240n300.net.28 network # limited to score of .30 or greater. # The score is an approximation of the probability Constraint L18.CB F144.CB -10. 7.0 14.0 0.65 Constraint I187.CB D201.CB -10. 7.0 14.0 0.636 # Constraint C143.CB Y226.CB -10. 7.0 14.0 0.616 Constraint L202.CB I213.CB -10. 7.0 14.0 0.608 # Constraint L79.CB Y226.CB -10. 7.0 14.0 0.602 Constraint F144.CB I187.CB -10. 7.0 14.0 0.561 Constraint V67.CG2 F108.CZ -10. 7.0 14.0 0.558 Constraint F144.CB G176.CA -10. 7.0 14.0 0.546 bonus Constraint R22.CB Y179.CB -10. 7.0 14.0 0.54 bonus Constraint L18.CB V186.CB -10. 7.0 14.0 0.54 bonus Constraint R28.CB F108.CB -10. 7.0 14.0 0.517 bonus Constraint A27.CB F108.CB -10. 7.0 14.0 0.492 bonus Constraint D201.CB Y226.CB -10. 7.0 14.0 0.475 bonus Constraint L75.CB V186.CB -10. 7.0 14.0 0.475 bonus Constraint Q66.CB D122.CB -10. 7.0 14.0 0.475 bonus Constraint L74.CB V186.CB -10. 7.0 14.0 0.451 bonus Constraint L202.CB Y226.CB -10. 7.0 14.0 0.442 bonus Constraint Q185.CB Y215.CB -10. 7.0 14.0 0.433 bonus Constraint L74.CB F144.CB -10. 7.0 14.0 0.424 bonus Constraint F108.CB D201.CB -10. 7.0 14.0 0.421 bonus Constraint L79.CB R225.CB -10. 7.0 14.0 0.415 bonus Constraint Q66.CB F108.CB -10. 7.0 14.0 0.415 bonus Constraint L18.CB L202.CB -10. 7.0 14.0 0.415 bonus Constraint F144.CB L202.CB -10. 7.0 14.0 0.407 bonus Constraint E90.CB F108.CB -10. 7.0 14.0 0.407 bonus Constraint W198.CB F232.CB -10. 7.0 14.0 0.401 bonus