CreatePredAlphaCost pred_alpha2k alpha11 T0301.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0301.t04.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha06 alpha11 T0301.t06.alpha.rdb 2 alpha alpha_prev sum SetCost wet6.5 15 near_backbone 5 way_back 5 dry5 20 dry6.5 25 dry8 20 dry12 10 \ phobic_fit 5 \ sidechain 8 \ n_ca_c 20 bad_peptide 30 \ bystroff 5 \ soft_clashes 50 backbone_clashes 2 \ break 150 \ constraints 10 \ pred_alpha2k 2 \ pred_alpha04 2 \ pred_alpha06 2 \ hbond_geom 5 \ hbond_geom_backbone 10 \ hbond_geom_beta 50 \ hbond_geom_beta_pair 100 \ missing_atoms 1 \ maybe_metal 0.5 # These are the constraints from try8-opt2. HelixConstraint (T0301)D41 (T0301)S50 HelixConstraint (T0301)D52 (T0301)G60 HelixConstraint (T0301)G105 (T0301)A118 HelixConstraint (T0301)G241 (T0301)R259 HelixConstraint (T0301)T265 (T0301)R272 HelixConstraint (T0301)M317 (T0301)I330 SheetConstraint (T0301)P5 (T0301)Y13 (T0301)P391 (T0301)L383 hbond (T0301)Q6 1 SheetConstraint (T0301)I7 (T0301)I9 (T0301)E27 (T0301)R25 hbond (T0301)I9 1 SheetConstraint (T0301)I9 (T0301)R15 (T0301)F24 (T0301)T18 hbond (T0301)A11 1 SheetConstraint (T0301)T12 (T0301)R15 (T0301)L383 (T0301)A380 hbond (T0301)L14 1 SheetConstraint (T0301)K20 (T0301)F23 (T0301)K70 (T0301)I73 hbond (T0301)G21 1 SheetConstraint (T0301)K70 (T0301)S75 (T0301)Q90 (T0301)D85 hbond (T0301)C71 1 SheetConstraint (T0301)D83 (T0301)Y86 (T0301)W137 (T0301)N140 hbond (T0301)V84 1 SheetConstraint (T0301)C132 (T0301)N140 (T0301)V151 (T0301)K143 hbond (T0301)V134 1 SheetConstraint (T0301)I145 (T0301)V149 (T0301)G166 (T0301)F162 hbond (T0301)I146 1 SheetConstraint (T0301)D161 (T0301)G166 (T0301)S379 (T0301)A374 hbond (T0301)F162 1 SheetConstraint (T0301)F169 (T0301)P170 (T0301)T372 (T0301)V371 hbond (T0301)F169 1 SheetConstraint (T0301)A172 (T0301)I174 (T0301)I214 (T0301)T212 hbond (T0301)E173 1 SheetConstraint (T0301)L176 (T0301)E177 (T0301)A211 (T0301)K210 hbond (T0301)L176 1 SheetConstraint (T0301)A211 (T0301)A216 (T0301)V223 (T0301)I218 hbond (T0301)T212 1 SheetConstraint (T0301)T220 (T0301)N224 (T0301)K277 (T0301)V281 hbond (T0301)V221 1 SheetConstraint (T0301)K277 (T0301)A282 (T0301)L307 (T0301)L302 hbond (T0301)I278 1 SheetConstraint (T0301)G342 (T0301)R348 (T0301)V358 (T0301)P352 hbond (T0301)R344 5 SheetConstraint (T0301)A346 (T0301)V347 (T0301)D301 (T0301)L302 hbond (T0301)V347 1 SheetConstraint (T0301)T355 (T0301)G359 (T0301)S377 (T0301)K373 hbond (T0301)T355 1 SheetConstraint (T0301)A360 (T0301)Q364 (T0301)K373 (T0301)W369 hbond (T0301)A362 1 #these are the sheet constraints that I tried to line up in Proteinshop SheetConstraint G342 R348 A297 L303 hbond L303 10 hbond A297.O G342.N 3 SheetConstraint A290 P284 A297 L303 hbond A290 10