Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSAVVVSSENLDGQQQSSSTPASPAAEKVNLLGMSRAELEKFFEDIGEKKFRAGQVMKWIHQYFVTDFAEMTNISGKLRAKLEQICEIKAPEVVHRHYSKDGTRKWVFRVGEGSGSLVETVLIPAEDKTGSRKTLCISSQVGCALDCSFCSTGKQGFQRDLTPDEIIGQLWMANYSYMEEVPVAERERSVTNVVMMGMGEPLLNY----DAVLSSMHIMLDDF-AYGMSKRRVTLSTSGVVP--------K-IDQLAKDIDV-ALAISLHAPNDELRNELVPINKKYPLAQLIAACQRYIAKDGNESARKHVTIEYVMLEGVNDQPEHAQQLLKLLKNLP-SKINLIPFNPFPHAPY---GRSSRNRIISFQKTLSDAGFVCTIRQTRGDDIDAACGQLVGQVADRTRRAEQWQKKVAQRQEILRTQG 4U0P Chain:B ((53-273)) -------------------------------------------------------------------------------------------------------------------------------------TATFLLLGPTCTRACAFCQVEKGHAPAAVDPEEPTKIAAAVAT------------LGLRYVVLTS-VARDDLPDQGAGQFVATMAAIRQRCPGT-----EIEVLSPDFRMDRGRLSQRDCIAQIV-AAQPACYNHNLETV-RRLQGPVRR---GATYESSLRVLATVKEL------NPDIPTKSGLMLGLGETEAEIIETLKDLRRVGCDRLTLGQYLPPSLSHLPVVKYWTPEEFNTLGNIARELGFSH----------------------------------------------

General information: TITO was launched using: RESULT: Template: 4U0P.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 : 1024 -47726 -46.61 -236.27 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain B : 0.62 3D Compatibility (PKB) : -46.61 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.472

(partial model without unconserved sides chains): PDB file : Tito_4U0P.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4U0P-query.scw PDB file : Tito_Scwrl_4U0P.pdb: