Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSFEQKPKVTVILANLGTPDEATVPAVRRFLKQFLSDPRVIEIPKFIWWIILNLFVLPFRPKRAAHAYASVWSTDSPMREIVFEQTQRVQAYLERENKQ-FDLTVLPAMTYGNLGIDAVLEKLSAHPQEHVILLPLFPQYSATSTAPLYDAFAKWIPTQR--NLPGLTIIKDYYQHPMFIQALAESVLAYQEQH----GKPEKLLMSFHGIPQPYADKGDPYADRCRITAKLVAEALHLKDDEWAISFQSRFGKQEWVKPYTDQLLQDWAKQGVKSVQVLSPAFSADCLETLEELAIQNAELFQQAGGGSYAYIPALNSDQAHIDLLAGLVQANLDALTHTLAHR 1LBQ Chain:A ((36-362)) -----RSPTGIVLMNMGGPSKV--EETYDFLYQLFADNDLIPISAKYQKT-IAKYIAKFRTPKIEKQYREIG-GGSPIRKWSEYQATEVCKILDKTCPETAPHKPYVAFRYAKPLTAETYKQMLKDGVKKAVAFSQYPHFSYSTTGSSINELWRQIKALDSERSISWSVIDRWPTNEGLIKAFSENITKKLQEFPQPVRDKVVLLFSAHSLPMDVVNTGDAYPAEVAATVYNIMQKLKF-KNPYRLVWQSQVGPKPWLGAQTAEIAEFLG-PKVDGLMFIPIAFTSDHIETLHEIDLGVIGE-SE-YKDKFKRCESLNGNQTFIEGMADLVKSHLQSNQL-----

General information: TITO was launched using: RESULT: Template: 1LBQ.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 : 1659 -14596 -8.80 -45.61 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -8.80 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.495

(partial model without unconserved sides chains): PDB file : Tito_1LBQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1LBQ-query.scw PDB file : Tito_Scwrl_1LBQ.pdb: