Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQRIAINGFGRIGRNVLRAWFESPKQFHFEIVAINDIADVNTLVHLFKYDSTHGRFNGKVDITIENEKIYLNIQSNQRLLKVEVLQQKQPELLPWASLKIDVVLECTGLFRSHADATRHLEAGAKRVIIGAAPFDHVDAAIVYGVNHADVKATDQIISSVSCTTQALVPLVKIIDDAFGIETALMTEIHAVTADQSVLDHAHRDLRRARASGQNIIPTTSSALGALKRVMPKMENRIDGYSIRVPTINVAAIDLTFIAQSPITVHHINELLIKASQTDYAEIMAVTDEPLVSSDFNHSPYSLIVDSTQTMVVGHQ-AKVFAWYDNEWGYANRLLDLCDSF 1HDG Chain:O ((2-324)) --RVAINGFGRIGRLVYRIIYER-KNPDIEVVAINDLTDTKTLAHLLKYDSVHKKFPGKVEYT-ENSLIVDGKE-------IKVFAEPDPSKLPWKDLGVDFVIESTGVFRNREKAELHLQAGAKKVII-TAPAKGEDITVVIGCNEDQLKPEHTIISCASCTTNSIAPIVKVLHEKFGIVSGMLTTVHSYTNDQRVLDLPHKDLRRARAAAVNIIPTTTGAAKAVALVVPEVKGKLDGMAIRVPTPDGSITDLTVLVEKETTVEEVNAVMKEATEGRLKGIIGYNDEPIVSSDIIGTTFSGIFDATITNVIGGKLVKVASWYDNEYGYSNRVVD-----

General information: TITO was launched using: RESULT: Template: 1HDG.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain O - contact count / total energy / energy per contact / energy per residue : 1891 -178965 -94.64 -555.79 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain O : 0.85 3D Compatibility (PKB) : -94.64 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.470

(partial model without unconserved sides chains): PDB file : Tito_1HDG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1HDG-query.scw PDB file : Tito_Scwrl_1HDG.pdb: