Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTTIKTSNLGFPRIGLNREWKKALEAYWKGSTDKDTFLKQIDELFLSAVKTQIDQQIDVVPVSDFTQYDHVLDTAVSFNWIPKRFRHLTDATDTYFAIARGIKDAVSSEMTKWFNTNYHYIVPEYDESIEFRLTRNKQLEDYRRIKQEYGVETKPVIVGPYTFVTLAKG-----YEPSEAKAIQKRLVPLYVQLLKELEEEGVKWVQIDEPALVTASSEDVRGAK-ELFESITSELSSLNVLLQTYFDSVDAYEELISYPVQGIGLDFVHDKGRNLEQLKTHGFPTDKVLAAGVIDGRNIWKADLEERLDAVLDILSIAKVDELWIQPSSSLLHVPVAKHPDEHLEKDLLNGLSYAKEKLAELTALKEGLVSGKA--AISEEIQQAKADIQALKQFATGANSEQKKELEQLTDKDFKRPIPFEERLALQNESLGLPLLPTTTIGSFPQSAEVRSARQKWRKAEWSDEQYQNFINAETKRWIDIQEELELDVLVHGEFERTDMVEYFGEKLAGFAFTKYAWVQSYGSRCVRPPVIYGDVEFIEPMTVKDTVYAQSLTSKHVKGMLTGPVTILNWSFPRNDISRKEIAFQIGLALRKEVKALEDAGIQIIQVDEPALREGLPLKTRDWDEYLTWAAEAFRLTTSSVKNETQIHTHMCYSNFEDIVDTINDLDADVITIEHSRSHGGFLDYLKNHP-YLKGLGLGVYDIHSPRVPSTEEMYNIIVDALAVCPTDRFWVNPDCGLKTRQQEETVAALKNMVEAAKQARAQQTQLV 3BQ6 Chain:A ((34-762)) ----KAYAFGFPKIGEKREFKKALEDFWKGKITEEQFEEEMNKLRMYMVEN-YRKNVDVIPSNELSYYDFVLDTAVMVGAVPERFGEYR-GLSTYFDMARGGK---ALEMTKFFNTNYHYLVPEI-ETEEFYLLENKPLEDYLFFKSK-GIETAPWVIGPFTFLYLSKRNGEWIRRPNQMEKLLESLVSVYKEVFEKLVENGCKEILVNEPAFVC----DLEKAHWDLILNVYRELSEFPLTVFTYYDSVSDYEACVSLPVKRLHFDFVSNE-ENLKNLEKHGFPEDKKLVAGVINGRQPWKVDLRKVASLVEKLGASA------ISNSCPLFHLPVTLELENNLPGGLKEKLAFAKEKLEELKMLKD-FLEGKTFDLP----------LQAVER------------VRNLPEDSFRREKEYTERDRIQRERLNLPLFPTTTIGSFPQTPEVRKMRSKYRK----KEEYEAFIKEQIKKAIELQEEIGLDVLVHGEFERTDMVEFFAEKLNGIATTQNGWVLSYGSRCYRPPIIYGTVTRPEPMTLKEITYAQSLTEKPVKGMLTGPVTIMSWSYYREDIPEREIAYQIALAINEEVKDLEEAGIKIVQIDEPAFREKAPIKKSKWPEYFEWAINAFNLAANA-RPETQIHAHMCYSDFNEIIEYIHQLEFDVISIEASRSKGEIISAFENFKGWIKQIGVGVWDIHSPAVPSINEMREIVERVLRVLPKELIWINPDCGLKTRNWDEVIPSLRNMVALAKEMRE------

General information: TITO was launched using: RESULT: Template: 3BQ6.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 : 4034 -350813 -86.96 -496.90 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : -86.96 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.540

(partial model without unconserved sides chains): PDB file : Tito_3BQ6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BQ6-query.scw PDB file : Tito_Scwrl_3BQ6.pdb: