Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKIIVRGGQKLNGTVKVEGAKNAVLPVIAASLLASEEKSVICDVPTLSDVYTINEVLRHLGADVHFEN-NEVTVNASYALQTEAPFEYVRKMRASVLVMGPLLARTGHARVALPGGCAIGSRPIDQHLKGFEAMGAEIKVGNGFIEAEVK-GRLQGAKIYLDFPSVGATENLIMAAALAEGTTTLENVAKEPEIVDLANYINGMGGKIRGAGTGTIKIEGVEKLHGVKHHIIPDRIEAGTFMVAAAITEGNVLVKGAVPEHLTSLIAKMEEMGVTIKDEGEGLRVIGP-KELKPIDIKTMPHPGFPTDMQSQMMALLLRASGTS-MITETVFENRFMHAEEFRRMNGDIKIEGRSVIINGPVQLQGAEVAATDLRAGAALILAGLVAEGHTRVTELKHLDRGYVDFHQKLAALGADIERVNDESASEQENKEVVSDLNA 5BQ2 Chain:A ((9-428)) MDKLIITGGNRLDGEIRISGAKNSALPILAATLLA-DTPVTVCNLPHLHDITTMIELFGRMGVQPIIDEKLNVEVDASSIKTLVAPYELVKTMRASILVLGPMLARFGEAEVALPGG-AIGSRPVDLHIRGLEAMGAQIEVEGGYIKAKAPAGGLRGGHFFFDTVSVTGTENLMMAAALANGRTVLQNAAREPEVVDLANCLNAMGANVQGAGSDTIVIEGVKRLGGARYDVLPDRIETGTYLVAAAATGGRVKLKDTDPTILEAVLQKLEEAGAHISTGSNWIELDMKGNRPKAVNVRTAPYPAFPTDMQAQFISMNAVAEGTGAVIET-VFENRFMHVYEMNRMGAQILVEGNTAIVTGVPKLKGAPVMATDLRASASLVIAGLVAEGDTLIDRIYHIDRGYECIEEKLQLLGAKIRRVP------------------

General information: TITO was launched using: RESULT: Template: 5BQ2.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 : 2738 -29048 -10.61 -70.00 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.86 3D Compatibility (PKB) : -10.61 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.562

(partial model without unconserved sides chains): PDB file : Tito_5BQ2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5BQ2-query.scw PDB file : Tito_Scwrl_5BQ2.pdb: