Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------MIFATSQVNPLTNSSVRNLRPKQRRLFMFWNLVHYEFK-----NVNKWYLALYAAVLVLSALIGI-QTQGFKNLPYQESQATMLLFLATVF--GGLMLTLAISTIFLIIKRFKGSVYDRQG---YLT-----LTLPVSEHHIITAKLIGAFIWSLISTAVLALSAVI---------ILALTAPEWIPLSYVITFVETHLPQIFLTGISFLL-NTISGILCIYLAISIGQLFNEYRTALAVAVYIGIQ-----IVIGFIELFFNLSSNFYVNSLVGLNDHFYMGAGIAIVEELIFIAIFYLGTYYILRNKVNLL----------------------------------------------------------------------------------------- 4OFZ Chain:A ((85-513)) QTVDDFKNLMYKMQETRRAIVFALLNEKDLTKDDVEILKRAYEKLTDNFQREMCTLTTKLSVNIGDETRGLEKDLKYLDALMNIRREEPNLLWPIIMSRVDLFSILANYHPKGKETFLKEYEDTVKFLKTFISSEAITGKKPIFITDWDGTMKDYCSQYATNLQPVYSAVGMTRFAASFTRISAVLTAGPLRGPGILDLTA---MPIDGPVMFSGSWGREWWLSGKRVVHQDGITDEGFNALQRLDDEMKDLLHTSPFALVGSGVQRKVDRLTLGVQTVCHHVTSELSNRYQMAVKERMHNSQILVFDPSTELEVEVVAHNSGIIWNKGNGVERLIKSLGDSLQSPGKILICGDTLSDIPMVRQAVKQNPDGVLAIFVGAKMSLREEVKQVIGDESRCCFVSCPDVIHAAMSQILNEHCIG

General information: TITO was launched using: RESULT: Template: 4OFZ.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 : 1156 -88264 -76.35 -316.36 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -76.35 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.123

(partial model without unconserved sides chains): PDB file : Tito_4OFZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4OFZ-query.scw PDB file : Tito_Scwrl_4OFZ.pdb: