Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIAVIGLGNMGQPIARNVLQAGYELTVYNRTKQKTEDLVTEGAQAADTPRLAAKSADIVITMLADDDSVSTVTFGEDGLLEGLAENGIHISMSTISVEFSEKLAAAHAEKGQFFLAAPVLGRPDAAAKAALRIITAGPAEAKQAAKPLLDSLSQQIFDVGEESKTANAAKISINFLLVSMLEALSESFLMMEKYGLEQKQFLEIASA-LFGSPVYQNYGTIMAEQKFEPAGFKMSLGLKDTNLALAAAKRVSANLPLAELAKSHFESGIEKGFGDLDWAALIKCIK 3PDU Chain:F ((7-286)) -----LGLGIMGGPMAANLVRAGFDVTVWNRNPAKCAPLVALGARQASSPAEVCAACDITIAMLADPAAAREVCFGANGVLEGIGGGRGYIDMSTVDDETSTAIGAAVTARGGRFLEAPVSGTKKPAEDGTLIILAAGDQSLFTDAGPAFAALGKKCLHLGEVGQGAR-MKLVVNMIMGQMMTALGEGMALGRNCGLDGGQLLEVLDAGAMANPMFKGKGQMLLSGEF-PTSFPLKHMQKDLRLAVELGDRLGQPLHGAATANESFKRARAAGHADEDFAAVFRVLE

General information: TITO was launched using: RESULT: Template: 3PDU.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain F - contact count / total energy / energy per contact / energy per residue : 1543 -155460 -100.75 -557.20 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain F : 0.79 3D Compatibility (PKB) : -100.75 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.584

(partial model without unconserved sides chains): PDB file : Tito_3PDU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PDU-query.scw PDB file : Tito_Scwrl_3PDU.pdb: