Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKLIITAAVNGGITPRSKNPAVPYTPEEIANAVYEVWNAGASVAHIHARNLDGSPSYQQEVWGEIVDKVRARC-DIILNLSTSGLNLPLDAPKDQAWNHLVYRPEIASYNCGSVNHGSKPFINPPALAMELADAINQYGVKPEIEIYHSGVINEAETLHLKGYLKSPMLFAFAMGIHGGVTATCKNLIHLID----SLPAGSLWSALGIGKAQLPINVHTILLGGHVRTGLEDNIYYKAGELATSNAQLVERLVRLSHELDRPVASTQEARKILGLVS 3NO5 Chain:E ((3-275)) NKPCIISVAITGSLPRKKDNPAVPITVSEQVESTQAAFEAGATLVHLHVRNDDETPTSNPDRFALVLEGIRKHAPGMITQVSTGGRSGAG----NERGAMLSLRPDMASLATGSVNFPTRVYDNPPELVDWLAAEMKTYGIKPEVEAFDLSMIFQAAAMQAAGAIVGPLHIQFVMGIKNAMPVDREVLEFYVQTLKRLSP-DATWTGAGIGRHQLTMARWSLELGGHCRTGLEDNVRLDKNTLAPSNAALVRQVAELCEEYGRPVATAAQAREIMSLG-

General information: TITO was launched using: RESULT: Template: 3NO5.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 1547 -33551 -21.69 -125.19 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain E : 0.79 3D Compatibility (PKB) : -21.69 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.536

(partial model without unconserved sides chains): PDB file : Tito_3NO5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NO5-query.scw PDB file : Tito_Scwrl_3NO5.pdb: