Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFLQPLLAKKIIAEVKKMYEREVIIVNTDGLIMAGTNDERVGQFHEGALICAKERRSVIITKEDETRLKGVKAGINLPVFFDHDVIAVFGLTGEPAEIQPFGELLRKMTELFIKESRHLEQSQWRERMLESFMIDWLQLKEW-SPSFLEKA-QLLGVDLSSRRQMILIQGYEWSPHDIEQMARSWKSSYPADLFIRWGNERILINHEV-PQHEQRDRLLRKILHICSFA-NTASSQYTAAGAGRAVASSSLTDSYEQA-EKALAVSLKRKT--PIFEEDLKLDMCLTEISPGTRNEFPQRVLGKALEHQ---ELMNTIRTFFHHDLSLKQTAEDMHIHINTLRYRLAKAEQLTGLRFDRTEDVVTMYVALYFLD-QDTK 3ONQ Chain:A ((9-262)) ------------------------------------------------------------------------------------------------------------ADILDLLSGHTDDTTIERLAFECLL-------TNMTDDRVVSLMNILGWQGDFNCFAIGGVPSASLASTSLAIRKAVRDLGGEHVVIGTYGTFLLALACQMGAVTPEVTCTA--------VMPAFSEDEPLYLSPVRSGVAGASHALRETMFSLQAAPALSTPSRPLRADELLPERALLG-DDYAREELYRNVYQVLRGENPDDPTYLTVSTFLKYGSSLENTAKELNVHPNTVRYRLKRAAETTGWDATDPRDAYVLTTALAIGRMRDR-

General information: TITO was launched using: RESULT: Template: 3ONQ.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 : 1160 1085 0.94 4.47 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 0.94 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.361

(partial model without unconserved sides chains): PDB file : Tito_3ONQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ONQ-query.scw PDB file : Tito_Scwrl_3ONQ.pdb: