Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLDVHKDIKKIFHEEQVLAEAAARYGFS-KDQVRFL-ADAENYVYECMKDNQPYILKITHTIRRSSDYMMGEMEWLRHLAIGGISVAKPLPSLNGKDVEAVPDGNGGSFLLRVYEKAPGQKVDESDWNETLFYELGRYTGSMHSLTKSYKLSNPA-FKRQEWDEEEQLKLRKYVPEDQIKVFQQADSLMNELRRLPKSQDNYGLVHADLHHGNFNWDHG-KITAFDFDDIGYNWFVNDISILLYNVLWYPVVPYDDKAAFTEEFMTHFMKGYWEENELDPAWLMIIPDFLRLRHMLIYGLLHQMFDLNTIGEEEKEMLAGFRRDIENGTPITAFDFSALV 2PPQ Chain:A ((8-277)) ------------TEDELRNF-LTQYDVGSLTSYKGIAE---NSNFLLHTTKDPLILTLYEK----KNDLPFFLGLMQHLAAKGLSCPLPLPRKDGELLGE-----LSGRPAALISFLEGMWLRK--PEAKHCREVGKALAAMHLASEGFEIKRPNALSVDGWKVLWDKSE-ERADEVEKGLREEIRPEIDYLAAHWPKDLPAGVIHADLFQDNVFFLGDELSGLIDFYFACNDLLAYDVSICLNAWCFEK------DGAYNVTKGKALLEGYQSVRPLSEAELEALPLLSRGSALRFF------------------------------------------

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 : 1202 -141583 -117.79 -544.55 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -117.79 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.403

(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: