Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDAAIDGRAQSAEERMLRDALGEQLEGELRIISREPFGGGALTGFEELSPQARYWYVDTSGKRVEAETGFVLGDPGRPDARIWLHPADPRLPALAPASFPAAAATLMGRLGVSIDRPPELLVYRPGKRAMFRMRAGERETYLKIVRPSASGSIVELQ-ESLRAGGVPVPHITGWSELGIVLTETADGVPLTSRLAE-LEPDRLLDSIDALRERIA---AVDTGRDARASLALRHDWYLARIDAALARAAEGDPAVAPSAVLRDHLAAVTAVVTGADASALVVDEAERRTIHGDLHVGQLFVDADDASAIAGVIDIDTAGLGDPADDEAALIAHLIASIALARRDEGRSAGFRRLLDAAA------ARWLAPGRPGRARVAHRTAVHVLAHALAPIERGDLET----AEVELALGRDILRDADERPLI 2PPQ Chain:A ((5-320)) ---------TDITEDELRNFL-------------TQYDVGSLTSYKGIAENSNFLLHTTKD-------------------------------------------------------PLILTLYEKKNDLPFFLGL----------------------MQHLAAKGLSCPLPLPRKDGELLGELSGRPAALISFLEGMWLRKPEAKHCREVGKALAAMHLASEGFEIKRPNALSVDGWKVLWDKSEERADEVEKG------LREEIRPEIDYLAAHWPKDL-----PAGVIHADLFQDNVFFLGD---ELSGLIDFYFA----CNDLLAYDVSICLNAWCFEKDGAYNVTKGKALLEGYQSVRPLSEAELEALPLLSRGSALRFFLTRLYDWLTTPAGALVVKKDPLEYLRKLRFHRTIANVAEYGLA

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 : 1411 -21680 -15.36 -73.49 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -15.36 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.261

(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: