Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------------------------------------------------------------------------------------------MKSKGFTLLEVMVALAIFAVAAVALTKVAMQYTQSTSNAILRTKAQFVAMNEVAMMEI---NQEWLQGTQSKQVTSQGETWQIDKSAQSTISPNVQKIDLQVSLYDLDKGKVQNGITHMV-FFNYPVKAK---------------------------- 4OQD Chain:A ((12-250)) ADYSGEIAELYDLVHQGKGKDYHREAADLAALVRRHSPKAASLLDVACGTGMHLRHLADSFGTVEGLELSADMLAIARRRNPDAVLHHGDMRDFSLG--------RRFSAVTCMFSSIGHLAGQAELDAALERFAAHVLPDGVVVVEPWWFPENFTPGYVAAGTVEAGG-TTVTRVSHSSREGEATRIEVHYLVAGPDRGITHHEESHRITLFTREQYERAFTAAGLSVEFMPGGPSGRGLFTGLPGA

General information: TITO was launched using: RESULT: Template: 4OQD.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 : 499 21954 44.00 187.64 target 2D structure prediction score : 0.37 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : 44.00 2D Compatibility (Sec. Struct. Predict.) : 0.37 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.131

(partial model without unconserved sides chains): PDB file : Tito_4OQD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4OQD-query.scw PDB file : Tito_Scwrl_4OQD.pdb: