Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MWQQLITWLKQLSFLVKKEFLTIFSDPANRAILFVPALMQALLSGYAATYDVNHVDYAILDQSNGQISHELISKLDGSGIFKRVATLEYTEQIKQVTDNRQALLIIAIPNDFESKLNNNQSAPIQVIVDGRNSSTAMVAGSYLNKIIGQFNQQKFNSALPISLETRTWYNPNQESRWSLMPALIAALSMMQTLLLSALSVAREREQGTFDQLLVTPYTP-LQIMIGKALPPI-FVGLMQSTIILLIILFWFKIPM-NGSIGLLYFGLFSFNVAVVGVGLSISALSLNMQQAMLFTFLLIMPLMLLSGLLTPVENMPKALQVATYANPLRFGINLVQRVYLEGASFA--------------------------------QVKLNFLPMIVLGIVTLPLAAWLFRNRLS 5NJG Chain:B ((451-662)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VSAVELFVVEKKLFIHEYISGYYRVSSYFLGKLLSDLLPMRMLPSIIFTCIVYFMLGLKPKADAFFVMMFTLMMVAYSASSMALAIAAGQSVVSVATLLMTICFVFMMIFSGLLVNLTTIASWLSWLQYFSIPRYGFTALQHNEFLGQNFCPGLNATGNNPCNYATCTGEEYLVKQGIDLSPWGLWKNHVALACMIVIFLTIAYLKLLFLKK

General information: TITO was launched using: RESULT: Template: 5NJG.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 533 -93518 -175.45 -528.35 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain B : 0.58 3D Compatibility (PKB) : -175.45 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.276

(partial model without unconserved sides chains): PDB file : Tito_5NJG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5NJG-query.scw PDB file : Tito_Scwrl_5NJG.pdb: