Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHSEHPFSQLIPDVIIDAVESSSDQYTNYQIYPLNSYENRVYQVGMEDGPALIAKFYRPDRWSNKQILEEHTAL-SLLEKKGVPVAAPLA-FNGQTLFEHANFRLSLTNKVIG-NAPEAEDLDDLFQIGELIGETHSVLTKLPLIGRQSPSLIESIESQIKWLLASPSDVSKTQTSTLPHALQKEFITLFDSLMQMSKDVMSQSGSIQRQTIHGDCHASNLL-KSITGMVLLDFDDIQTGYPCQDIWLHLTA------KEHHQQQLSELIEGYESHHPFDRRSLALIDAFKLERTVRYAAWLSQRWNDPAFPKAFPWFGTQDYWLGLRKELIDLKAQWRNDTE-- 2PPQ Chain:A ((5-320)) -------TDITEDELRNFLTQYD---VGSLTSYKGIAENSNFLLHTTKDP-LILTLYEK-----KNDLPFFLGLMQHLAAKGLSCPLPLPRKDGELLGELSGRPAALISFLEGMWLRK-PEAKHCREVGKALAAMHLASEGFEI-KRPNALSVDGWKVLWDKSEERADEV--------EKGLREEIRPEIDYLAAH------WPKDLPAGVIHADLFQDNVFFLGDELSGLIDFYFACNDLLAYDVSICLNAWCFEKDGAYNVTKGKALLEGYQSVRPLSEAELEALPLLSRGSALRFFL---TRLYDWLTTPAGALVVKKDPLEYLRKLRFHRTIANVAEYGLA

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 : 1439 -32999 -22.93 -110.73 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -22.93 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.368

(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: