CreatePredAlphaCost pred_alpha2k alpha11 T0289.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0289.t04.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha06 alpha11 T0289.t06.alpha.rdb 2 alpha alpha_prev sum SetCost wet6.5 25 near_backbone 15 way_back 5 dry5 25 dry6.5 30 dry8 25 dry12 15 \ phobic_fit 2 \ sidechain 10 \ n_ca_c 5 bad_peptide 10 \ bystroff 5 \ soft_clashes 40 backbone_clashes 2 \ break 80 \ pred_alpha2k 2 \ pred_alpha04 3 \ pred_alpha06 4 \ constraints 10 \ hbond_geom 5 \ hbond_geom_backbone 10 \ hbond_geom_beta 50 \ hbond_geom_beta_pair 100 \ maybe_metal 0.5 \ missing_atoms 1 # from decoys/try11-opt2.sheets # with weights increased where they agreed with the first # undertaker-align alignment SheetConstraint S1 T2 V47 E46 hbond S1 1 SheetConstraint K11 G17 Y108 L114 hbond K12 3 SheetConstraint K11 G18 L45 T52 hbond I13 3 SheetConstraint D109 N116 K171 V178 hbond V111 3 SheetConstraint C123 L127 V178 V174 hbond T124 3 SheetConstraint T124 L127 P150 V153 hbond L125 3 SheetConstraint L149 V153 I219 K223 hbond C151 3 SheetConstraint V221 M225 T297 A293 hbond K223 1 SheetConstraint M225 V228 F294 K291 hbond E226 1 SheetConstraint A239 H243 L264 V260 hbond V241 1 SheetConstraint W251 L254 Y278 C275 hbond K252 1 SheetConstraint F261 S263 V268 G266 hbond S263 1 SheetConstraint T298 L302 T310 S306 hbond L300 1 # There are disagreements between models about the alignment of the # strand near Y287-T297, so I removed its sheet constraint and # put in two strand constraints in its place. # SheetConstraint C275 Y278 A295 E292 hbond T276 1 StrandConstraint C275 Y278 1 StrandConstraint E292 A295 1 # from decoys/try11-opt2.helices # with weights increased where they agreed with T0289.dssp-ehl2.constraints HelixConstraint L24 E39 2 HelixConstraint N53 C60 2 HelixConstraint D73 S78 2 HelixConstraint D84 G100 2 HelixConstraint I136 A147 2 HelixConstraint S160 S168 2 HelixConstraint L191 F204 1 HelixConstraint N209 F214 1 HelixConstraint P231 G236 1 # I'm extending this out a little bit HelixConstraint A188 N209 3 # New constraints from notor alphabets: HelixConstraint N283 T297 1 Hbond H255.O D258.N 0.3 StrandConstraint I269 L271 1 # New constraints to orient helix L85-F99 Hbond N53.ND2 E88.OE1 0.2 Constraint A92.CB F16.CB 0 7 9 1.0 Constraint A92.CB F50.CB 0 7 9 1.0 Constraint I95.CB F16.CB 0 7 9 1.0 Constraint I95.CB F50.CB 0 7 9 1.0