Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----MKVFLIGANGQIGQRLVSLFQDNPDH-SIRAMVRKEEQKASLEAAGAEAVLANLEGSPEEIAAAAKGCDAIIFTAGSGGSTGYDKT-----------------LLVDLDGAAKAIEAAAIAGIKRFIMVSALQAHNRENWNEALK--PYYVAKHYADKILEASGLTYTIIRPGGLRNEPG------TGTVSAAKDLERGFISRDDVAKTVIASLDEKNTENRAFDLTEGDTPIAEALKKL----------- 1XQ6 Chain:A ((1-253)) SANLPTVLVTGASGRTGQIVYKKLKEGSDKFVAKGLVRSAQGKEKIGG-EADVFIGDIT-DADSINPAFQGIDALVILTSAVPKMKPGFDPTKGGRPEFIFEDGQYPEQVDWIGQKNQIDAAKVAGVKHIVVVGSMGGTNPDHPLNKLGNGNILVWKRKAEQYLADSGTPYTIIRAGGLLDKEGGVRELLVGKDDELLQTDTKTVPRADVAEVCIQALLFEEAKNKAFDLGSKPEGTSTPTKDFKALFSQVTSRF

General information: TITO was launched using: RESULT: Template: 1XQ6.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 : 1126 -89397 -79.39 -421.68 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -79.39 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.483

(partial model without unconserved sides chains): PDB file : Tito_1XQ6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XQ6-query.scw PDB file : Tito_Scwrl_1XQ6.pdb: