Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKYQFPANFWWGSAASGPQTEGRISGDGKGENIFDYWYKKEPQKFFDQVGPEKTSQVYTKYQEDVQLMKQTGHNSFRTSIQWSRLIPDESGTINEEAVRFYHRYFDELIENGIEPFVNLYHFDMPMYLQEKGGWLNRETVEAYEKYAKSCFELFGSKVKKWFTHNEPIVPVEAGYLYRWHYPEESDMKKAIQVGYHEALASALAIKSYHEMEQGGVIGIILNLTPSYPRDESNPEDVKAAQIADAFFNRSFLDPAVKGEFPSELIEIVKELDLMPVIHAEDLTVIKENTVDLLGINYYQPRRVKAKETPIDTKNGPMPEDYFDNYEMPGRKMNPYRGWEIYEQGIYDILINVRDHYGNIDCFISENGMGVENEARFIKEDGMIHDDYRIEFVQSHLKYVHQAIQEGANCLGYHMWTCMDNWSWTNAYKNRYGFISVDLAQDGKRTIKKSGHWFKDVSDKNGFEA 1E4I Chain:A ((3-445)) ---FQFPQDFMWGTATAAYQIEGAYQEDGRGLSIWDT-FAHTPGKVFNGDNGNVACDSYHRYEEDIRLMKELGIRTYRFSVSWPRIFPNGDGEVNQKGLDYYHRVVDLLNDNGIEPFCTLYHWDLPQALQDAGGWGNRRTIQAFVQFAETMFREFHGKIQHWLTFNEPWCIAFLSNMLGVHAPGLTNLQTAIDVGHHLLVAHGLSVRRFRELGTSGQIGIAPNVSWAVPYSTSE-EDKAACARTISLHSDWFLQPIYQGSYPQFLVDWFAEQGATVPIQDGDMDIIGE-PIDMIGINYY-----SMSVNRFNPEAGFLQSEEI-NMGLPVTDI----GWPVESRGLYEVL-HYLQKYGNIDIYITENGACINDEV----VNGKVQDDRRISYMQQHLVQVHRTIHDGLHVKGYMAWSLLDNFEWAEGYNMRFGMIHVDF-RTQVRTPKQSYYWYRNVVSNNWLET

General information: TITO was launched using: RESULT: Template: 1E4I.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 : 2662 -195032 -73.27 -440.25 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -73.27 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.443

(partial model without unconserved sides chains): PDB file : Tito_1E4I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1E4I-query.scw PDB file : Tito_Scwrl_1E4I.pdb: