Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------MRVIVLGSGVIGVASAYYLARQGAEVTVLDRQSGPAEETSFGNAGQISPGYSTPWAAPGIPFKAVKWMFQHHAPLAINLDGSMWQLQWMAQMLKNCNPQSYAVNKERMMRVAEYSRDCLRELRKDTGIHYENRAKGTLQLFRKEAQMEAVQRDISVLEE-----CGVSYELLNGNELGRVEPALANAQDKLVGGLHLPNDETGDCYLFTNALAQIAKELGVNFQFNQNVEKLIVEGDQIKGVQVNGKVLTADRYVLAFGSYSRDFLKPLDLQLPVYPVK-------------GYSLTIP-------------------IVAP----AFAPQSTVLDE----TYKIAITRFDQRIRVG------GMAELSGFN-------LGLNEDRHATLQMVTQDLFPGGDMEQASFWTGLRPMTPDSTPIIG-ATRFKNLFLNTGHGTLGWTMACGSGKLISDIVLNHKTDISTDGLSIQRYSHAHAA 5HXW Chain:A ((22-454)) PRHGFVEGTEGALPKQADVVVVGAGILGIMTAINLVERGLSVVIVEK-------------GNIAGEQSSRFYGQAISYKM----------------------------------------PDETFLLHHLGKHRWREMNAKVGIDTTYRTQGRVEVPLDEEDLVNVRKWIDERSKNVGSDIPFKTRIIEGAELNQR---LRGATTDWKIAGFEEDSGSFDPEVATFVMAEYAKKMGVRIYTQCAARGLETQAGVISDVVTEKGAIKTSQVVVAGGVWSRLFMQNLNVDVPTLPAYQSQQLISGSPTAPGGNVALPGGIFFREQADGTYATSPRVIVAPVVKESFTYGYKYLPLLALPDFPVHISLNEQLINSFMQSTHWNLDEVSPFEQFRNMTALPDLPELNASLEKLKAEFPAFKESKLIDQWSGAMAIAPDENPIISEVKEYPGLVINTATG-WGMTESPVSAELTADLLLGKKPVLDPKPFSLYRF------

General information: TITO was launched using: RESULT: Template: 5HXW.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 : 1761 27978 15.89 78.15 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 15.89 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.386

(partial model without unconserved sides chains): PDB file : Tito_5HXW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5HXW-query.scw PDB file : Tito_Scwrl_5HXW.pdb: