Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEAARETRLPCAAMAILTPLSLADARRIGALYGL-EIADVRGLLAGSVNSNFALTLADGRGQVFLRVYEEQQLGAASREARMLEHLAAGGVATPQPLRRRDAAPSDTDAASDGAAFVAEHAGKPVALFPWVGGASLCQARVTPDA--TRRVGAALARVHLVGASFEGANASRFDLDGLDQRLRGLRSPAGARSTAPAPALPPDVAAAVDELTGRLERIRAAAPRTPGPQTLIHGDLFRDNVLWEAGEISALLDFESASRGSAAFDLAVTMLAWCFGDDLDPDLV--SALAAGYTAVRPLSTEERDRLFHESVIAALRFSITRITDFELRPKGSGVYK----DFRRFLARQRTLERLGPEGLLALLGV 2PPQ Chain:A ((5-319)) -----------------TDITEDELRNFLTQYDVGSLTSYKGIAE---NSNFLLHTT--KDPLILTLYEK--KNDLPFFLGLMQHLAAKGLSCPLPLPRKDGE------------LLGELSGRPAALISFLEGMWLRK----PEAKHCREVGKALAAMHLASEGFEIKRPNALSVDGW----KVLWDKSEERADEVEKGLREEIRPEIDYLA-------AHWPKDL-PAGVIHADLFQDNVFFLGDELSGLIDFYFACNDLLAYDVSICLNAWCFEKDGAYNVTKGKALLEGYQSVRPLSEAELEALPLLSRGSALRFFLTRLYDWLTTPAGALVVKKDPLEYLRKLRFHRTIANVAEYGL------

General information: TITO was launched using: RESULT: Template: 2PPQ.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 : 1446 -58375 -40.37 -194.58 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -40.37 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.374

(partial model without unconserved sides chains): PDB file : Tito_2PPQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ppq-query.scw PDB file : Tito_Scwrl_2PPQ.pdb: