ConstraintSet try1.sheets SheetConstraint (T0443)A157 (T0443)N163 (T0443)L173 (T0443)D167 hbond (T0443)L159 1 ConstraintSet robetta_1.sheets #I manually put these in, because the sheet is almost there in Robetta_TS1 SheetConstraint (T0443)R223 (T0443)I226 (T0443)R162 (T0443)L159 hbond (T0443)I225 1 ConstraintSet psi3.helices # HelixConstraint (T0443)P3 (T0443)A16 # HelixConstraint (T0443)S14 (T0443)G19 # HelixConstraint (T0443)G20 (T0443)G25 # HelixConstraint (T0443)L31 (T0443)N41 # HelixConstraint (T0443)N40 (T0443)F45 # HelixConstraint (T0443)H43 (T0443)F57 # HelixConstraint (T0443)D58 (T0443)A73 # HelixConstraint (T0443)T77 (T0443)E82 # HelixConstraint (T0443)Q81 (T0443)Q92 # HelixConstraint (T0443)S97 (T0443)L103 # HelixConstraint (T0443)L101 (T0443)Q117 # HelixConstraint (T0443)T133 (T0443)Y143 HelixConstraint (T0443)D174 (T0443)G185 HelixConstraint (T0443)S190 (T0443)M202 HelixConstraint (T0443)I211 (T0443)E221 # HelixConstraint (T0443)S228 (T0443)N235 # HelixConstraint (T0443)S242 (T0443)S247 ConstraintSet zhang4.helices HelixConstraint (T0443)P3 (T0443)R18 HelixConstraint (T0443)Q28 (T0443)D47 HelixConstraint (T0443)S59 (T0443)A73 HelixConstraint (T0443)T77 (T0443)I83 HelixConstraint (T0443)Q81 (T0443)S93 HelixConstraint (T0443)S97 (T0443)V115 # HelixConstraint (T0443)A137 (T0443)R144 # HelixConstraint (T0443)G175 (T0443)S186 # HelixConstraint (T0443)F191 (T0443)M202 # HelixConstraint (T0443)K209 (T0443)R223 SetCost \ try1.sheets 30 \ robetta_1.sheets 40 \ psi3.helices 10 \ zhang4.helices 10 \ align_constraints 10 \ ehl2_constraints 5 \ pred_nb11_back 90 \ pred_alpha_back 10 \ pred_n_notor_back 5 \ pred_bys_back 5 \ pred_pb_back 3 \ wet6.5 15 dry5 15 dry6.5 15 dry8 40 dry12 40 \ phobic_fit 3 \ sidechain 5 \ n_ca_c 2 bad_peptide 5 \ soft_clashes 50 backbone_clashes 10 \ break 150 \ hbond_geom 10 \ hbond_geom_backbone 10 \ hbond_geom_beta 20 \ hbond_geom_beta_pair 40 \ missing_atoms 20