Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDVQVHQLYIHGRYVEATSGKTFNSINPANGEIIATLQQASEQDIEAAVKSAQQGQKIWAAMTAMERSRILRRAVDILRERNDELARLETLDTGKAYSETSTVDIVTGADVLEYYAGLATAIQGEQVPLRESSFFYTRREPLGVVAGIGAWNYPIQIALWKSAPALAAGNAMIFKPSETTPLTALKLAEIYTEAGLPDGVFNVVQGAGREIGQWLTEHPVIEKISFTGGVETGKKVMASAAGSTLKEVTMELGGKSPLIICEDADLNRAADIAVMANFFSSGQVCTNGTRVFVPKSRLADFEKAVVERVKRILIGDPMAEDTNFGPLTSFPHMEKVLSFIESGKQQGAKVLIGGGRATEGELAKGAYVLPTVFSDCTDQMAIVQEEIFGPVMSILGYETEEEVIQRANDTTFGLAAGVVTQDISRAHRIIHQIEAGICWINTWGESPAEMPVGGYKQSGVGRENGLTTLGHYTRIKSIQVELGDYQGIF 4CAZ Chain:A ((2-490)) -ARFEEQKLYIGGRYVEASSGATFETINPANGEVLAKVQRASREDVERAVQSAVEGQKVWAAMTAMQRSRILRRAVDILRERNDELAALETLDTGKPLAETRSVDIVTGADVLEYYAGLVPAIEGEQIPLRETSFVYTRREPLGVVAGIGAWNYPVQIALWKSAPALAAGNAMIFKPSEVTPLTALKLAEIYTEAGVPDGVFNVLTGSGREVGQWLTEHPLIEKISFTGGTSTGKKVMASASSSSLKEVTMELGGKSPLIIFPDADLDRAADIAVMANFFSSGQVCTNGTRVFIHRSQQARFEAKVLERVQRIRLGDPQDENTNFGPLVSFPHMESVLGYIESGKAQKARLLCGGERVTDGAFGKGAYVAPTVFTDCRDDMTIVREEIFGPVMSILVYDDEDEAIRRANDTEYGLAAGVVTQDLARAHRAIHRLEAGICWINTWGESPAEMPVGGYKQSGVGRENGLTTLAHYTRIKSVQVELGDYASVF

General information: TITO was launched using: RESULT: Template: 4CAZ.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 : 3026 -206675 -68.30 -422.65 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.95 3D Compatibility (PKB) : -68.30 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.95 QMean score : 0.545

(partial model without unconserved sides chains): PDB file : Tito_4CAZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CAZ-query.scw PDB file : Tito_Scwrl_4CAZ.pdb: