Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKYQFPANFWWGSAASGPQTEGRISGDGKGENIFDYWYKKEPQKFFDQVGPEKTSQVYTKYQEDVQLMKQTGHNSFRTSIQWSRLIPDESGTINEEAVRFYHRYFDELIENGIEPFVNLYHFDMPMYLQEKGGWLNRETVEAYEKYAKSCFELFGSKVKKWFTHNEPIVPVEAGYLYRWHYPEESDMKKAIQVGYHEALASALAIKSYHEMEQGGVIGIILNLTPSYPRDESNPEDVKAAQIADAFFNRSFLDPAVKGEFPSELIEIVKELDLMPVIHAEDLTVIKENTVDLLGINYYQPRRVKAKETPIDTKNGPMPEDYFDNYEMPGRKMNPYRGWEIYEQGIYDILINVRDHYGNIDCFISENGMGVENEARFIKEDGMIHDDYRIEFVQSHLKYVHQAIQEGANCLGYHMWTCMDNWSWTNAYKNRYGFISVDLAQDGKRTIKKSGHWFKDVSDKNGFEA 1BGG Chain:B ((2-446)) -TIFQFPQDFMWGTATAAYQIEGAYQEDGRGLSIWDT-FAHTPGKVFNGDNGNVACDSYHRYEEDIRLMKELGIRTYRFSVSWPRIFPNGDGEVNQEGLDYYHRVVDLLNDNGIEPFCTLYHWDLPQALQDAGGWGNRRTIQAFVQFAETMFREFHGKIQHWLTFNEPWCIAFLSNMLGVHAPGLTNLQTAIDVGHHLLVAHGLSVRRFRELGTSGQIGIAPNVSWAVPYSTSE-EDKAACARTISLHSDWFLQPIYQGSYPQFLVDWFAEQGATVPIQDGDMDIIGE-PIDMIGINYY-----SMSVNRFNPEAGFLQSEEI-NMGLPVTDI----GWPVESRGLYEVL-HYLQKYGNIDIYITENGACINDEV----VNGKVQDDRRISYMQQHLVQVHRTIHDGLHVKGYMAWSLLDNFEWAEGYNMRFGMIHVDF-RTQVRTPKESYYWYRNVVSNNWLET

General information: TITO was launched using: RESULT: Template: 1BGG.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2685 -198508 -73.93 -446.08 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain B : 0.80 3D Compatibility (PKB) : -73.93 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.434

(partial model without unconserved sides chains): PDB file : Tito_1BGG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1BGG-query.scw PDB file : Tito_Scwrl_1BGG.pdb: