Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFLQPLLAKKIIAEVKKMYEREVIIVNTDGLIMAGTNDERVGQFHEGALICAKERRSVIITKEDETRLKGVKAGINLPVFFDHDVIAVFGLTGEPAEIQPFGELLRKMTELFIKESRHLEQSQWRERMLESFMIDWLQLKEWSPSFLEKAQLLGVDLSSRRQMILIQGYEWSP-HDIEQMARSWKSSY-PADLFIRWGNERILINHEVPQHEQRDRLLRKILHICSFANTASSQYTAAGAGRAVA-SSSLTDSYEQAEKALAVSLKR---KTPIFEEDLKLDMCLTEISPGTRNEFPQRVLGKAL----EHQELMNTIRTFFHHDLSLKQTAEDMHIHINTLRYRLAKAEQLTGLRFDRTEDVVTMYVALYFLDQDTK 3ONQ Chain:A ((20-262)) ---------------------------------------------------------------------------------------------------------------------------DDTTIERLAFECLLTNMTDD-RVVSLMNILGWQ--GDFNCFAIGGVPSASLASTSLAIRKAVRDLGGEHVVIGTYGTFLLALACQMGAVT---PEVTCTAVM----PAFSEDEPLYLSPVRSGVAGASHALRETMFSLQAAPALSTPSRPLRADELLPERALLGDD-YAREELYRNVYQ-VLRGENPDDPTYLTVSTFLKYGSSLENTAKELNVHPNTVRYRLKRAAETTGWDATDPRDAYVLTTALAIGRMRDR

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 : 1123 -32500 -28.94 -139.48 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -28.94 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.346

(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: