Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLEIINGQKIYGKRPILNQLNLVFQSGKIYGLKGDNGSSKTVLLKVLAGYIKLDKGKV-LQDGKVYGIKNHYIQDAGI--LIEKVEFLSHLSLREN----LELLRYFSSKVTEKRIAYWIQYYDLQEFEDVEYRHLSLGTKQKMALIQAFISSPSILFLDEPMNALDEKSVRLTKQVILSYLKKENGLVILTSHISEDISDLCTDVLVVENGHIQYVKDIQS 5X5Y Chain:B ((11-223)) ---------KSYKGRQVVRDVSMSIDSGQIVGLLGPNGAGKTTCFYMIVGLVQADQGVVRIDEQNVTHLPMHGRARAGIGYLPQEASIFRKLSVSDNIMAILETRSDLDRNGRKEALEGLLQEFHIHHIRDNLGMSLSGGERRRVEIARALASAPKFILLDEPFAGVDPISVGDIKQII-HHLKAKGIGILITDHNVRETLDICETAYIVNDGQLIAEGDAES

General information: TITO was launched using: RESULT: Template: 5X5Y.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 959 3276 3.42 15.90 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.75 3D Compatibility (PKB) : 3.42 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.479

(partial model without unconserved sides chains): PDB file : Tito_5X5Y.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5X5Y-query.scw PDB file : Tito_Scwrl_5X5Y.pdb: