Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDDFAEWVRVAFGLGEGPLVRTVGGRGADGDVWHLRVRDREYAVKRPFRAFDPAAVRHEAALLEHLTSGGVEVPTHVASPEGQLVVEVPDHLGGGNARVSHWVTGTSVTDRTSEVAEQLGTLLAQLHRAAPATWDRPRSWHTAMVPPDEWAELVRRS--SGQPWHQALVARHD-DLTAYAEVVDRAGPGTGPFVLGHCDLHPDNALAAPDGSLRALDWEDCGPVDPTRELAKTLVQWHVLGE-SVDDDAITKTVAAYRDAGGPGLLA--DTPDFAMVLCSETNFLANQVRLALDVSAPGERRDQARGEITEALADYLPSIAALERVLSVTRPG 2PPQ Chain:A ((10-274)) --DELRNFLTQYDVGSL-TSYKGIAE---NSNFLLHTTKDPLILTLYEK---KNDLPFFLGLMQHLAAKGLSCPLPLPRKDGELLGEL----SGRPAALISFLEGMWLRKPEAKHCREVGKALAAMHLASEGF-E-IKRPNALSVDG--WKVLWDKSEERADEVEKGLREEIRPEIDYLAAH----WPKDLPAGVIHADLFQDNVFFLGDELSGLIDFYFACNDLLAYDVSICLNAWCFEKDGAYNVTKGKALLEGYQSVRPLSEAELEALPLLSRGSAL-----------------------------------------------------

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 : 1116 -73485 -65.85 -290.45 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -65.85 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.272

(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: