1 2 3 4 5 Reweight scoretype="peptide_bond" weight="25.0" /> 6 7 8 9 10 11 12 13 14 15 16 17 18 19 Reweight scoretype="peptide_bond" weight="25.0" /> 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 Append seven residues to Residue #22. This will result in 29 residues. 39 40 41 42 43 44 45 46 47 48 49 Declare cyclic peptide bond from the C terminal of 29th residue to N terminal of 1st residue 50 51 52 Relax chi and bb 53 54 Relax chi and bb using HARMONIC distance constraints on disulfide bonds and NC terminals 55 56 Relax chi and bb only from residue 1-22 57 58 59 60 61 62 63 Energy minimization mover taking only chi 64 65 66 67 68 69 GKIC5: This attempts to close N-C backbone after the following disulfides have been constructed via KIC loop closure in the previous steps: i.e. 1st--15th; 5th--17th; 10th-22nd. 70 71 Define loop 72 73 74 75 76 77 78 79 80 81 82 Set pivots 83 84 Shorthand to maintain terminal cyclic NC bond linkage 85 86 Set omega for residues 22-29 (newly added via peptide stub mover) 87 88 89 90 91 92 93 94 95 96 97 Set bonds length (dont know if useful) 98 99 100 101 102 103 104 105 106 107 108 109 Generate conformations 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 #Append residues using peptidestub mover 125 #Declate CN bond 126 #Close loop 127 128 129