Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVENMGRDSMWQAISTLLRDWHTEDAEIELKTELPGGEIHSAWHLRFGGKDYFVKCDERELLPIFTAESDQLELLSRSKTVRVPQVFAVGSD------RDYSFVVMEYLPPRPLD---AHNAFLLGQQLAHLHQWSDQPQFGLDFDNDLSTTPQPNAWQRRWSVFFAEQRIGWQLELAAEKGLHFGDIDTLVDMVQQRLANHQPQPSLLHGDLWSGNCALGPD-GPYIFD-PACYWGDRECDLAMLPMH----------PEQPPQIYDGYQSVSPLPSGFLDRQPIYQLYTLLNRAILFGGQHLVTAQQALDDVLMEKMR 2PPQ Chain:A ((6-274)) -------DITEDELRNFLTQ--YDVGSLTSYKGIAE---NSNFLLHTTKDPLILTLYEK--KNDLPFFLGLMQHLAAK-GLSCPLPLPRKDGELLGELSGRPAALISFLEGMWLRKPEAKHCREVGKALAAMHLASEGF--EIKRP----NALSVDGWKVLWDKSEERA------DEVEK--GLREEIRPEIDYLAAHWP-KDLPAGVIHADLFQDNVFFLGDELSGLIDFYFACNDLLAYDVSICLNAWCFEKDGAYNVTKGKALLEGYQSVRPLSEAELEALPLLSRGSAL---------------------------

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 : 1028 -44362 -43.15 -183.31 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -43.15 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.306

(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: