CreatePredAlphaCost pred_alpha2k alpha11 T0242.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0242.t04.alpha.rdb 2 alpha alpha_prev sum 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 10 backbone_clashes 2 \ break 20 \ pred_alpha2k 3 \ pred_alpha04 3 \ constraints 10 \ hbond_geom 1 \ hbond_geom_backbone 1 \ hbond_geom_beta 5 \ hbond_geom_beta_pair 10 // Add the following for extra-cellular proteins: # known_ssbond 0.5 # and put ssbond command in constraints file # maybe_ssbond 0.5 // For comparative modeling, increase weight of break and hbond_geom... // put any constraints here, such as helix constraints, strand constraints, // sheet constraints, ssbonds, hbonds, or just arbitrary pairs of atoms. #from T0242.t04.dssp-ehl2.constraints HelixConstraint I12 L15 0.7544 HelixConstraint E29 L34 0.6558 HelixConstraint H51 C62 0.6252 HelixConstraint D98 R106 0.6559 StrandConstraint V4 T7 0.7212 #s1 StrandConstraint T21 I24 0.6863 #s2 # StrandConstraint L45 I46 0.6083 StrandConstraint R70 M75 0.6637 #s3 StrandConstraint E80 I86 0.6564 #s4 StrandConstraint I110 V115 0.7375 #s5 #from T0242.t2k.dssp-ehl2.constraints HelixConstraint E29 L34 0.6346 # HelixConstraint G43 I46 0.617 # too short HelixConstraint D52 C62 0.6396 HelixConstraint D98 R106 0.7949 StrandConstraint V4 T7 0.7616 #s1 StrandConstraint T20 T23 0.6506 #s2 StrandConstraint R70 M75 0.648 #s3 StrandConstraint E80 S87 0.7018 #s4 StrandConstraint I110 E114 0.6163 #s5 # from decoys/robetta-model5.helices HelixConstraint I12 E17 HelixConstraint D28 R39 HelixConstraint D42 A48 HelixConstraint G50 C62 # HelixConstraint I86 G93 # I'm not so sure I believe this one HelixConstraint S97 R106 SheetConstraint R70 N76 M85 D79 hbond M75 10 # s3 ^v s4 SheetConstraint E80 I84 D25 T21 hbond A81 10 # s4 ^v s2 SheetConstraint T20 D25 E114 K109 hbond T23 10 # s2 ^v s5 SheetConstraint E114 K109 K3 N8 hbond I110 10 # s5 ^v s1