Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKYQFPANFWWGSAASGPQTEGRISGDGKGENIFDYWYKKEPQKFFDQVGPEKTSQVYTKYQEDVQLMKQTGHNSFRTSIQWSRLIPDESGTINEEAVRFYHRYFDELIENGIEPFVNLYHFDMPMYLQEKGGWLNRETVEAYEKYAKSCFELFGSKVKKWFTHNEPIVPVEAGYLYRWHYPEESDMKKAIQVGYHEALASALAIKSYHEMEQGGVIGIILNLTPSYPRDESNPEDVKAAQIADAFFNRSFLDPAVKGEFPSELIEIVKELDLMPVIHAEDLTVIKENTVDLLGINYYQPRRVKAKETPIDTKNGPMPEDYFDNYEMPGRKMNPYRGWEIYEQGIYDILINVRDHYGNIDCFISENGMGVENEARFIKEDGMIHDDYRIEFVQSHLKYVHQAIQEGANCLGYHMWTCMDNWSWTNAYKNRYGFISVDLAQDGKRTIKKSGHWFKDVSDKNGFEA 1UYQ Chain:A ((3-445)) ---FQFPQDFMWGTATAAYQIEGAYQEDGRGLSIWDT-FAHTPGKVFNGDNGNVACDSYHRYEEDIRLMKELGIRTYRFSVSWPRIFPNGDGEVNQEGLDYYHRVVDLLNDNGIEPFCTLYHWDLPQALQDAGGWGNRRTIQAFVQFAETMFREFHGKIQHWLTFNEPWCIAFLSNMLGVHAPGLTNLQTAIDVGHHLLVAHGLSVRRFRELGTSGQIGIAPNVSWAVPYSTSE-EDKAACARTISLHSDWFLQPIYQGSYPQFLVDWFAEQGATVPIQDGDMDIIGE-PIDMIGINYY-----SMSVNRFNPEAGFLQSEEI-NMGLPVTDI----GWPVESRGLYEVL-HYLQKYGNIDIYITENGACINDEV----VNGKVQDDRRISYMQQHLVQVHRAIHDGLHVKGYMAWSLLDNFEWAEGYNMRFGMIHVDF-RTQVRTPKQSYYWYRNVVGNNWLET

General information: TITO was launched using: RESULT: Template: 1UYQ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 2640 -200220 -75.84 -451.96 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -75.84 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.441

(partial model without unconserved sides chains): PDB file : Tito_1UYQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1UYQ-query.scw PDB file : Tito_Scwrl_1UYQ.pdb: