CreatePredAlphaCost pred_alpha2k alpha11 T0248.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0248.t04.alpha.rdb 2 alpha alpha_prev sum #reset to values Kevin used for try12 SetCost wet6.5 5 near_backbone 5 way_back 5 dry5 15 dry6.5 20 dry8 15 dry12 5 \ phobic_fit 2 \ sidechain 1 \ bystroff 5 \ soft_clashes 20 backbone_clashes 2 \ break 40 \ pred_alpha2k 5 \ #looks more like the str2 predictions (t2k & t04) pred_alpha04 5 \ constraints 20 \ hbond_geom 1 \ hbond_geom_backbone 2 \ hbond_geom_beta 5 \ hbond_geom_beta_pair 10 #from robetta-model2.helices HelixConstraint N6 A14 5 HelixConstraint S21 H33 5 HelixConstraint D38 Q57 5 HelixConstraint D59 S65 5 HelixConstraint A63 L71 5 HelixConstraint P79 N92 5 HelixConstraint L90 Q99 5 HelixConstraint Q99 L106 5 HelixConstraint P107 Y119 5 HelixConstraint K122 L130 5 HelixConstraint Y128 T133 5 HelixConstraint P139 D151 5 HelixConstraint L154 Q168 3 #make some room for HelixConstraint K204 L210 3 #strands to move here? HelixConstraint E208 L217 5 HelixConstraint N224 F240 5 HelixConstraint S238 H243 5 HelixConstraint P247 Q261 5 HelixConstraint Q261 E266 5 HelixConstraint D272 H280 5 HelixConstraint V279 D287 5 HelixConstraint L286 G291 5 # from T0248.t04.dssp-ehl2.constraints StrandConstraint V177 F180 10 StrandConstraint Q186 L190 10 StrandConstraint F188 K185 10 #make it happen # from try1-opt2.sheets SheetConstraint K187 L192 Q200 F195 hbond F188 10 # from robetta-model6.sheets -- use 'cause closer to conjectured SheetConstraint E175 S182 L192 K185 hbond V177 10 #from robetta-model4.sheets //SheetConstraint G174 S182 G193 K185 hbond V177 10 # conjectured from previous tries //SheetConstraint V177 F180 F188 K185 10 //old helix constraints; replace with robetta-model2.helices # from T0248.t04.dssp-ehl2.constraints, with dubious bits trimmed out //HelixConstraint N6 H18 3 #down, to free up this region //HelixConstraint Y22 Y32 3 //HelixConstraint L40 Q57 3 //HelixConstraint F60 L71 3 //HelixConstraint K78 L90 3 //HelixConstraint H93 A104 3 //HelixConstraint A108 Q117 3 ////HelixConstraint M125 K134 3 #uncertain //HelixConstraint P139 L145 3 #shortened (V148 -> L145) //HelixConstraint S152 N167 3 //HelixConstraint A203 L219 3 //HelixConstraint N224 S238 3 //HelixConstraint L248 L264 3 //HelixConstraint E273 L286 3 #uncertain