Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MASAARPIRDYLPGLLVLAGGLYTVYYYYMYWIRVYGALCLPGYGDPVKVEVTQGIWIRLDAILFPTVFGVILALLGVMLVWKKKFGAAVVALVLSATVINWPAFIMIAGGALLGLLFWRKTLLPTIDLPDETMEWVDAEAGLSVLKSFRRLPSERLAYSFHNEGG-GRFVVKETSSA-ESAERETRVLNAAAENGLPAPEAKATD-G-------R--FLLMPQLDGFPFLQPLDFEAWTDEIAGILTTTHSAPKPDMKARRRPAEPVIPDRAF--------------D-RANWERAARIFREE-TADAVPVFVHGDFEPANVLFSGGRATGLTGWDHAGSGPAQLDVGRMRVALELI----HGGNVADRFLAKYKNLSKDRSFRYSRYWDLLAVYGWLEQDPGSIASHWRRFGITTLSEDEVMRRLERFVKTLTDKE 2PPQ Chain:A ((10-288)) ----------------------------------------------------------------------------------------------------------------------------------DELRNFL-TQYDVGSLTSYKGIAE---NSNFLLHTTKDPLILTLYEK-KNDLPFFLGLMQHLAAKGLSCPLPLPRKDGELLGELSGRPAALISFLEGMWLRKP--EAKHCREVGKALAAMHLASEGF-EIKRPN-ALSVDGWKVLWDKSEERADEVEKGLREEIRPEIDYLAAHWPKDLPAGVIHADLFQDNVFFLGDELSGLIDFYFACNDLLAYDVSICLNAWCFEKDGAYNVTKGKALLEGYQSVRPL-SEAELEALPLLSRGSALR-FFLTRLYDWLTTP------------------------

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 : 1025 26049 25.41 108.09 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : 25.41 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.239

(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: