Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --MIGTE-KVT-----ALKAK-HQSKSSTGLS-W--------FERIGYGFGDMSYNIIFQFVNAYLLFYYTDVGGIQPAV---IATLFLVVRVL--------DAIFDPIMGLILD---KTNTRWGKAR-PYLLWVAFPFALFTFLCFTTPHFGETGNMVYAYVTYILLGM-SFSMQT----------------IPVNSLTGRMTNSVEERTVLTTTRMILVYIG----------ILLSISCATPLATAIGGEDQAFGFQMTALIYAAVSIVLNLFSFFTVRERIQP-KKRKKQGIKKTLSVLFKNKPLLMLISSFLAFAIGFNI-KLSTMVYYFTYNVNHKEFVFM---------GTVLFFGAALISNLFIPFFSEKWG----------RKQVMIITAALSLISYA---------------GL-HFT-PYSSIPLIFIWLFASG-FFTTP------LNTLAWGMVADCVDY--AEWKTGIRADGVVISSM---------SFINKLGVAL----------------------------AGSFSAIYLGIAGYVANTDQTVASLNAIKN-MN-ALI-PG-FFILLSIILI-----AFY----------PLTEK-RYKHIISELEQRSAR------------------ 4U3E Chain:A ((12-670)) SGLVGSHMKVQYSFEREFEELMSDLLSKYGYEMFQMDGLGDQLDVVKFTEDFVRRGIIESTIDANANVRVTNISTYFIEISKPHTYLYSLYRIWQKMKEMFGKGVADEFVEAQINGAVYLHDRHHAALMPYCFAYTLKPIVEKGLPFIKTIKSEPAKHLSTFIQHVIQFVMFASNQSSGAVGLPDFFVWMWYFVKKDLKEGIIPRDKLDWYIEQHFQILTYSLNQPIRTTQSPYTNFTYLDRNYIKAIFEGERYPDGSLITDHVEDIIALQKHYWEWVS-RERERQMFTF----PVLTASLLYKDGKFL---DEDSARFINKINMKWQDTNWYISDSIDAVASCEKLKGRMNSIGGSDLNIGSFKVITVNLPRIALESGGDREKYLQILRHRVQLIKKALAAVREIIKERISEGLLPLYENGLMLLNRQYGTIGVTGVWESASIMGLTTEDIDGLKYTEEGEVFVDNVLDTIREEAEKGYHEYGFTFNIEQVPAEKAAVTLAQKDRFLFGEKQPFEIYSNQWVPLMANTDVLNRIRYSGKWDKKVSGGAILHINLGESFKTEEESFNMVKMIADMGVMYFAFNTKISVCEDGHAFYGERCPVCGKAKVDEYMRIVGYLVPVSAFNKERREIEYPRRQFYDSLTIR

General information: TITO was launched using: RESULT: Template: 4U3E.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 : 1854 -249266 -134.45 -547.84 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -134.45 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.229

(partial model without unconserved sides chains): PDB file : Tito_4U3E.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4U3E-query.scw PDB file : Tito_Scwrl_4U3E.pdb: