Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNEADMLFSVTVPGSTANLGPGFDSVGMALSRYLKLTV-FESDKWSFEAETETVAGIPAGTDNLIYQVAKRTADLYGKEMPPVHVKVWSDIPLARGLGSSAAAIVAAIELADELCGLKLSEADKLHLASLEEGHPDNAGASLVGGLVIGLHEDDETQMIRVPNADIDVVVVIPFYEVLTRDARDVLPKEFPYADAVKASAVSNILIAAIMSKDWPLVGKIMKKDMFHQPYRAMLVPELSKVEHVAEMKGAYGTALSGAGPTILVMTEKGKGEELKEQLALHFPHCEVDALTVPKEGSIIERNPLYQVKSV 3HUL Chain:A ((2-284)) ------SLRIRVPATTANLGPGFDSCGLALTLYLTLDIGAEADSWYIEHNIG--GGIPHDETNVIIETALNLA----PNLTPHHLVMTCDIPPARGLGSSSAAVVAGIELANTLAELNLSKEEKVRIAAEIEGHPDNVAPAVLGNWVVGAKLDGEDFYVRHLFP-CALIAFIPKAELL--------PDTLPFKEAVQASSIANVMIAAILRNDMTLAGEMMERDLW-----SQLVPHLAQIRDVAKNQGAYAACLSGAGPTVLVFAPRNLANKL--QTSLQTLEIDADVLLLDVEGS-------------

General information: TITO was launched using: RESULT: Template: 3HUL.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 : 1541 -80974 -52.55 -302.14 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -52.55 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.478

(partial model without unconserved sides chains): PDB file : Tito_3HUL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HUL-query.scw PDB file : Tito_Scwrl_3HUL.pdb: