Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MREYAVFTSESVSEGHPDKMADQISDAILDAILKEDPYARVACETLVKTGAVVLAGEITTTANIDVEAVVRQTVNGIGYHHSDLGFDGSTCAVINMIGKQSPEIAQGVDRQKPEDQGAGDQGLMFGYASRETDVLMPAPISYAHRLMERQAELRRSGALPWLRPDAKSQVTFAYENGKPVRLDAVVLSTQHDPEITQTQLKEAVIEEIIKPIIPAEMFHAATKFHINPTGMFVIGGPVGDCGLTGRKIIVDTYGGMARHGGGAFSGKDPSKVDRSAAYAGRYVAKNIVAAGLADKCEIQVSYAIGVAEPTSISINTFGTAKVSDELIIQLVREHFDLRPFGITRMLNLIQPMYKQTAAYGHFGREGSDTAFTWEKTDKVEALKDAAGL 1MXB Chain:A ((4-382)) -----LFTSESVSEGHPDKIADQISDAVLDAILEQDPKARVACETYVKTGMVLVGGEITTSAWVDIEEITRNTVREIGYVHSDMGFDANSCAVLSAIGKQSP------DRADPLEQGAGDQGLMFGYATNETDVLMPAPITYAHRLVQRQAEVRKNGTLPWLRPDAKSQVTFQYDDGKIVGIDAVVLSTQHSEEIDQKSLQEAVMEEIIKPILPAEWLTSATKFFINPTGRFVIGGPMGDCGLTGRKIIVDTYGGMARHGGGAFSGKDPSKVDRSAAYAARYVAKNIVAAGLADRCEIQVSYAIGVAEPTSIMVETFGTEKVPSEQLTLLVREFFDLRPYGLIQMLDLLHPIYKETAAYGHFGRE----HFPWEKTDKAQLLRDAAGL

General information: TITO was launched using: RESULT: Template: 1MXB.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 : 2293 -162544 -70.89 -435.77 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.93 3D Compatibility (PKB) : -70.89 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.93 QMean score : 0.504

(partial model without unconserved sides chains): PDB file : Tito_1MXB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1MXB-query.scw PDB file : Tito_Scwrl_1MXB.pdb: