Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPQLYIYIRLLGAYLFIISRVQGQNLDSMLHGTGMKSDSDQKKSENGVTLAPEDTLPFLKCYCSGHCPDDAINNTCITNGHCFAIIEEDDQGETTLASGCMKYEGSDFQCKDSPKAQLRRTIECCRTNLCNQYLQPTLPPVVIGPFFDGSIRWLVLLISMAVCIIAMIIFSSCFCYKHYCKSISSRRRYNRDLEQDEAFIPVGESLKDLIDQSQSSGSGSGLPLLVQRTIAKQIQMVRQVGKGRYGEVWMGKWRGE-KVAVKVFFTTEEASWFRETEIYQTVLMR---HENILGFIAADIKGTGSWTQLYLITDYHENGSLYDFLKCAT---LDTRALLKLAYSAACGLCHLHTEIYGTQGKPAIAHRDLKSKNILIKKNGSCCIADLGLAVKFNSDTNEVDVPLNTRVGTK---RYMAPEVLDESLNKNHFQPYIMADIYSFGLIIWEMARRCITGGIVEEYQLPYYNMVPSDPSYEDMREVVCVKRLRPIVSNRWNSDECLRAVLKLMSECWAHNPASRLTALRIKKTLAKMVESQDVKI 2ZYB Chain:A ((21-262)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LKLVERLGAGQFGEVWMGYYNGHTKVAVK---SLKQGSMSPDAFLAEANLMKQLQHQRLVRLYAVVTQ-----EPIYIITEYMENGSLVDFLKTPSGIKLTINKLLDMAAQIAEGMAFIEERNY--------IHRDLRAANILVSDTLSCKIADFGLARLI--EDNET-----AREGAKFPIKWTAP----EAINYGTFT--IKSDVWSFGILLTE---------IVTHGRIPYPGM--TNPEVIQNLE-RGYRMVRP--------DNCPEELYQLMRLCWKERPEDRPT-------------------

General information: TITO was launched using: RESULT: Template: 2ZYB.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 : 1046 -5012 -4.79 -21.70 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -4.79 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.172

(partial model without unconserved sides chains): PDB file : Tito_2ZYB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2zyb-query.scw PDB file : Tito_Scwrl_2ZYB.pdb: