Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVETAYAEPPLAAWSSILTAPRAQRMAHLNPDVRLWSVTADDRSYIVRSFGRWRPGAGMVDEYRVL-LHLKDAGFPVAVPIVTDAGTLAARDGHRTYVLVPRLAA-EKQEELPTGDVCFQIGSAIGN-LHAAL---AQYPWPVRSYEHDVLQQAFDEALQKLPQAVRESSVRPHQAVVTSSLRGLPRQLIHGDCNAGNILVSRGRVSGVIDLD--QLRAAMLAAEITLTSW-------------SHVLLTERRDRARPDERARYDAGVAALSWISRHFAELNAALA---------------------------------- 2PPQ Chain:A ((5-320)) ---TDITEDELRNFLTQYDVGSLTSYKGI-AENSNFLLHTTKDPLILTLYEK----KNDLPFFLGLMQHLAAKGLSCPLPLPRKDGELLGELSGRPAALISFLEGMWLRK--PEAKHCREVGKALAAMHLASEGFEIKRPNALSVDGWKVLWDKSEERADEVEKGLREEIRPEIDYLAAHWPKDLPAGVIHADLFQDNVFFLGDELSGLIDFYFACNDLLAYDVSICLNAWCFEKDGAYNVTKGKALLEGYQSVRPLSEAELEALPLLSRGSALRFFLTRLYDWLTTPAGALVVKKDPLEYLRKLRFHRTIANVAEYGLA

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 : 1124 -58421 -51.98 -229.10 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -51.98 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.448

(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: