# CreatePredAlphaCost pred_alpha2k alpha11 T0203.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0203.t04.alpha.rdb 2 alpha alpha_prev sum SetCost wet6.5 3 near_backbone 3 way_back 3 dry5 5 dry6.5 6 dry8 8 dry12 8 \ phobic_fit 5 \ sidechain 6 \ bystroff 5 \ soft_clashes 10 backbone_clashes 2 \ break 100 \ pred_alpha04 5 \ constraints 10 \ hbond_geom 0.1 \ hbond_geom_backbone 0.2 \ hbond_geom_beta 0.4 \ hbond_geom_beta_pair 2 # pred_alpha2k 5 \ include T0203.t04.stride-ebghtl.constraints include T0203.t04.str2.constraints # include T0203.t04.alpha.constraints include T0203.t04.bys.constraints # include T0203.t04.dssp-ebghstl.constraints include T0203.t04.dssp-ehl2.constraints # one model made it longer and hbonded with the opposite phase, but # aligned the same residues # SheetConstraint Y13 M15 Q371 A373 hbond Y14 10 SheetConstraint (T0203)A23 (T0203)G28 (T0203)P59 (T0203)A64 hbond (T0203)T25 SheetConstraint A23 I27 P372 T368 hbond W26 10 SheetConstraint R81 E84 R93 S90 3 SheetConstraint S95 W91 T98 R102 2 hbond t98 SheetConstraint M159 E162 V168 S165 Hbond S165 3 SheetConstraint S165 D169 S177 T173 Hbond I166 3 # copy from the alignment (though probably wrong) SheetConstraint (T0203)G172 (T0203)V176 (T0203)N183 (T0203)E179 hbond (T0203)C174 SheetConstraint (T0203)E178 (T0203)K184 (T0203)I209 (T0203)L215 hbond (T0203)L182 SheetConstraint M228 A232 S240 V236 hbond C230 10 SheetConstraint F314 A317 P324 I321 hbond Y315 10 # two choices of alignment here: SheetConstraint G320 A323 H346 V349 hbond I322 1 # SheetConstraint G320 A323 S347 G350 hbond I321 1 SheetConstraint (T0203)I209 (T0203)L215 (T0203)V254 (T0203)P248 hbond (T0203)L211 SheetConstraint (T0203)V237 (T0203)S240 (T0203)S290 (T0203)T293 hbond (T0203)L239 SheetConstraint (T0203)Q249 (T0203)R252 (T0203)A266 (T0203)S263 hbond (T0203)E251 SheetConstraint (T0203)L282 (T0203)M284 (T0203)G235 (T0203)V237 hbond (T0203)Y283 SheetConstraint (T0203)F314 (T0203)A317 (T0203)P324 (T0203)I321 hbond (T0203)Y315