Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNKLYEHDITAIAWQDKHELLERILQQAG---TIAITPLMQGMEAEAVKVATDADRYVLKIWSRDSKPDIRLQYQVMNMLHERGISVSKPIGWGI------NASGHSVLLTTFDGDPLRDGNAHTMREIANLLDHIHRISPEEIDR-H--TRLPRY-NFRDYFFPGMHE-YPDLYPLLEQLVE----LAS-PTHKRIIHGDFHLGNIVEQQGR-LTVIDWTNVQLGDPRYDFAWSLTLQQFYIP----EHFAEVFRDTYVAMNEIQREELEVFQALACLRWMLLYRNGGVPMGADTLERVRRLLTSNPHLHGVTI 2PPQ Chain:A ((8-277)) -----------------TEDELRNFLTQYDVGSLTSYKGIAE---NSNFLLHTTKDPLILTLYEK--KNDLPFFLGLMQHLAAKGLSCPLPLPRKDGELLGELSGRPAALISFLEGMWLRKPEAKHCREVGKALAAMHLASEGFEIKRPNALSVDGWKVLWDKSEERADEVEKGLREEIRPEIDYLAAHWPKDLPAGVIHADLFQDNVFFLGDELSGLIDFYFACNDLLAYDVSICLNAWCFEKDGAYNVTKGKALLEGYQSVRPLSEAELEALPLLSRGSALRFF------------------------------

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 : 1008 -22756 -22.57 -94.81 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -22.57 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.393

(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: