CreatePredAlphaCost pred_alpha2k alpha11 T0303.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0303.t04.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha06 alpha11 T0303.t06.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 5 \ n_ca_c 5 bad_peptide 10 \ bystroff 5 \ soft_clashes 20 backbone_clashes 2 \ break 50 \ pred_alpha2k 2 \ pred_alpha04 2 \ pred_alpha06 2 \ constraints 10 \ hbond_geom 5 \ hbond_geom_backbone 10 \ hbond_geom_beta 50 \ hbond_geom_beta_pair 100 \ missing_atoms 1 \ maybe_metal 0.5 # from T0303.dssp-ehl2.constraints StrandConstraint K5 F9 0.6017 HelixConstraint P20 D32 0.8375 HelixConstraint E40 I47 0.6575 HelixConstraint A51 A58 0.6271 HelixConstraint D60 L70 0.6143 HelixConstraint E72 C91 0.6185 HelixConstraint V100 A109 0.8502 StrandConstraint L114 V117 0.878 HelixConstraint T122 A131 0.7371 HelixConstraint A155 K163 0.8455 StrandConstraint I171 V174 0.7686 HelixConstraint Q178 S186 0.6421 StrandConstraint V191 L194 0.8786 HelixConstraint P203 Q206 0.6372 StrandConstraint W211 F213 0.7436 HelixConstraint F216 I222 0.7169 # from T0303.undertaker-align.sheets #sheet constraints from conformation 0 T0303-2ah5A-t06-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m:2ah5A SheetConstraint K5 G8 Q170 F173 hbond L6 2 SheetConstraint L172 D176 A190 L194 hbond F173 2 SheetConstraint V192 T195 W211 D214 hbond G193 2 #sheet constraints from conformation 1 T0303-1te2A-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m:1te2A SheetConstraint L6 G8 I171 F173 hbond L6 2 SheetConstraint A115 N119 E140 G144 hbond V116 2 #sheet constraints from conformation 2 T0303-2fdrA-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m:2fdrA SheetConstraint L6 G8 I171 F173 hbond L6 2 SheetConstraint L6 G8 I113 A115 hbond I7 5 SheetConstraint A115 N119 E140 G144 hbond V116 5 SheetConstraint L172 D176 A190 L194 hbond F173 2 SheetConstraint V192 T195 W211 D214 hbond G193 2 # hand constraints from conformation 0 T0303-2ah5A-t06-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m:2ah5A # to keep inserted domain from unfolding Constraint A38.CA E69.CA 7 8.3 10 2 Constraint A29.CA F82.CA 4 5.5 7 1 Constraint V43.CA S55.CA 9 10.3 11.3 1