Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRKHLFHSFVFLMTGLVTLAFGHVAQADNTTTAESSTSETMQKIEPKKDVYVIASDSAFAPFEFQNAK---GEYEGIDVKLMENIAKLQGFNIRMDYRGFSAALQALESGQADGMIAGMTVTDERKKSYDFSDSYFDSGIQLAVKKGDTSIKSYEDLKGKTVGAKVGTESAEFLSDHESEYGYSIKYFDAADQLYDGLKVGAIDAMMDDYPVIGYAIKQGQELETP--IK-KESGGKYAFAVKKGQNPELLNMFNEGLKELKRTGEYDKIIKEYVADGSETSSESSTADESTFLGLIQNNYQALLKGLWRTILLTLISFALAIVIGVIFGLFSVAPIRALRTIASIYVDIIRGIPMMVLAFFIFFGLPGIVGFTIPDFLAGVITLTLNASAYIAEIVRGGINAVPVGQMEASRSLGLSYNRTMQKIILPQAIRIMIPSFVNQFVISLKDTTIISAIGVVELLQTGKIIVARTTQSTYVYLIIAIMYLILITALTKLAKVLEKKVK 4YMX Chain:B ((37-259)) -------------------------------------------------GVIVMGTSADFPPFEFHKVEGGKDEIVGFDIDIANAIAKKLGVKLEIKDMDFKGLIPALQAGRVDMVIAGMTPTAERKKSVDFSDLYYDSRQVVVVKNDS-PISKFDDLKVKTIAVQIGTTSEEAAKKI---PNVKLKQLNRVSDEFMDLQNGRCDAIVVEDTVAKAYLKEYKDMKILYMDEINNVENGSAVAVAKG-NKSLLDVVNEVIKELKQSGEYDKLVDKWFK-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4YMX.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 : 1176 61662 52.43 284.16 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain B : 0.57 3D Compatibility (PKB) : 52.43 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.561

(partial model without unconserved sides chains): PDB file : Tito_4YMX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YMX-query.scw PDB file : Tito_Scwrl_4YMX.pdb: