Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLQNLDSLYQSLSKTEERLEEIIQQEIKLKDYQVEVDSAMSRMNKSYQNLYSERSSSSREIFSDITGIEATIQPNRDFNNYVKELRACINKEDTFDSEFGSLIDKLTKNSITNQDIYNDILDIRVSGESSIFSDKKLINSIRKLNDAQVLELQT-LKPNDLVVIRLELNGKKVSLSNASAGQKTSAILSMILAYGNSPLILDQPEDDLDSQLINNLIVRS----IITKKENRQILIVTHNANIPVNGDS----EWLISMGDSKEISADQCGSVDEPNIKPRICTVMEGGEDAFTNRAKRYGFKQIVE 4Q3K Chain:A ((20-260)) ---------QGMNISKITINQ--HVGVTLTCYVQDVSQEMSNMSK-------------RPAMLIFPGGGYQFCSDREAEPIALSYLA---------------------------KGYNAFV-LRYSVKEHAVFPRPLIDAEDALSYLKDNAHALHINPDKIAVIGFSAGGHLATTLATEGKVRPNAVVLGYPALIRHEKYWNFPTPKVDQQTPEMFVFHTFEDDLVPLSHPLYIVEELSKANIPVEFHLFKSGVHGLSLGN--KIVSNGLDKMIEDDVQV------------WFDLSCRWLDKVLDL

General information: TITO was launched using: RESULT: Template: 4Q3K.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 : 1337 -6678 -4.99 -28.78 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -4.99 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.204

(partial model without unconserved sides chains): PDB file : Tito_4Q3K.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4Q3K-query.scw PDB file : Tito_Scwrl_4Q3K.pdb: