Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKIVSILFMFGLVMGFSQFQPSTVFAADKVVHETIIVPKNTTYDGKGQRFVAGKELGDGSQSENQDPVFRVEDGATLKNVVLGAPAADGVHTYGNVNIQNVKWEDVGEDALTVKKEGKVTIDGGSAQKASDKIFQINKASTFTVKNFTADNGGKFIRQLGGSTFHVDVIIDKCTITNMKEAIFRTDSKTSTVRMTNTRYSNVGQKWIGVQHIYENNNTQF 4YZQ Chain:B ((18-189)) ------------------------------VITDTIIVKSGQTYDGKGIKIIA-QGMGDGSQSENQKPIFKLEKGANLKNVIIGAPGCDGIHCYGDNVVENVVWEDVGEDALTVKSEGVVEVIGGSAKEAADAVFNLNAPCTFKVKNFTATNIGKLVRQNGNTTFKVVIYLEDVTLNNVKSCVAKSDSPVSELWYHNLNVNNC------------------

General information: TITO was launched using: RESULT: Template: 4YZQ.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 : 1101 -96040 -87.23 -558.37 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : -87.23 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.526

(partial model without unconserved sides chains): PDB file : Tito_4YZQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YZQ-query.scw PDB file : Tito_Scwrl_4YZQ.pdb: