Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIQGKHFVITGGGSGLGAATAEYLVKQGASVTLVDMNVEAGEQQAKHLGPKAGFVKLDVTDEATAEQFFKDVLVKHGHLHGLVNCAGIGPSAKVVGREGVHDLGLFAKTLNINVTGTFNMLRFAADAMSKNTVEEGEEDRGIIVNTASVAAFDGQIGQAAYSASKGAIVAMTLPIARELARHAIRIMTIAPGIMETPMLKGMPQNVQDALGQMVPYPSRLGKPEEFARLVAHIAENSYLNGEVIRLDGAIRMAAK 4PN3 Chain:D ((9-263)) MQIENRVFLITGAGSGLGAAVSKMAVEAGAKVVLLDVNAEAGEAGAKALGASARFQRTDVASDTDGKAAIAAAIEAFSRIDVLVNCAGVAPGEKVLGREGAHKLETFTRTISINLIGTFNMLRLAAEAMAKNEPGQGGE-RGVIINTASVAAFDGQIGQAAYSASKGGVAAMTLPVARELARHGIRVMTIAPGIFKT------------ALGASVPFPPRLGEPAEYAALVRHIVENQMLNGEVIRLDGALRMAAK

General information: TITO was launched using: RESULT: Template: 4PN3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1366 -139957 -102.46 -575.95 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain D : 0.88 3D Compatibility (PKB) : -102.46 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.575

(partial model without unconserved sides chains): PDB file : Tito_4PN3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PN3-query.scw PDB file : Tito_Scwrl_4PN3.pdb: