Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTLYKTIWTLLKANKSNLLIGVIITVVATFFFAQNIDVENTSLQDAKIALISEEESPVVDGLRKYLNDKETVVTLDGTSQKEIDDALYFNRVNIILHLPADFTEQVEVGKMATIKIQSRPDAFSKTVVTQQVNTFLQTLILFQEEDKTIDAAMEQTQMALSVTGEVELSAGYSQRMKKLLTGTTFNFLSYGLFLSIFSGFSVINLAFNRKEISKRNQSAPITK-RNLNRKVTFSLI--SYSLLLFSGFLLLMVLLVIHT-SW-DITVWYHILNTFLFLLPIISFSACITSLVKNSETSGGIKDIFITGSCFIGGVFVPAEYLPEMVSKIAAFTPTYWFVQNNNLISETLS-YNQ---------------------------TFAESFWFNGCVLVAFAAVFSMIQFILGKERNYRWQPNWAKN 5NJG Chain:B ((452-663)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SAVELFVVEKKLFIHEYISGYYRVSSYFLGKLLSDLLPMRMLPS--IIFTCIV-YFMLGLKPKADAFFVMMFTLMMVAYSASSMALAIAAGQSVVSVATLLMTICFVFMMIFSGLLVNLTTIASWLSWLQYFSIPRYGFTALQHNEFLGQNFCPGLNATGNNPCNYATCTGEEYLVKQGIDLSPWGLWKNHVALACMIVIFLTIAYLKLLFLKKY--------

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 : 547 -73113 -133.66 -408.45 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain B : 0.55 3D Compatibility (PKB) : -133.66 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.291

(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: