Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPQLYIYIRLLGAYLFIISRVQGQNLDSMLHGTGMKSDSDQKKSENGVTLAPEDTLPFLKCYCSGHCPDDAINNTCITNGHCFAIIEEDDQGETTLASGCMKYEGSDFQCKDSPKAQLRRTIECCRTNLCNQYLQPTLPPVVIGPFFDGSIRWLVLLISMAVCIIAMIIFSSCFCYKHYCKSISSRRRYNRDLEQDEAFIPVGESLKDLIDQSQSSGSGSGLPLLVQRTIAKQIQMVRQVGKGRYGEVWMGKWRGE-KVAVKVFFTTEEASWFRETEIYQTVLMR---HENILGFIAADIKGTGSWTQLYLITDYHENGSLYDFLKCAT---LDTRALLKLAYSAACGLCHLHTEIYGTQGKPAIAHRDLKSKNILIKKNGSCCIADLGLAVKFNSDTNEVDVPLNTRVGTK---RYMAPEVLDESLNKNHFQPYIMADIYSFGLIIWEMARRCITGGIVEEYQLPYYNMVPSDPSYEDMREVVCVKRLRPIVSNRWNSDECLRAVLKLMSECWAHNPASRLTALRIKKTLAKMVESQDVKI 3AD4 Chain:A ((21-262)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LKLVERLGAGQFGEVWMGYYNGHTKVAVK---SLKQGSMSPDAFLAEANLMKQLQHQRLVRLYAVVTQ-----EPIYIITEYMENGSLVDFLKTPSGIKLTINKLLDMAAQIAEGMAFIEERNY--------IHRDLRAANILVSDTLSCKIADFGLARLI--EDNET-----AREGAKFPIKWTAP----EAINYGTFT--IKSDVWSFGILLTE---------IVTHGRIPYPGM--TNPEVIQNLE-RGYRMVRP--------DNCPEELYQLMRLCWKERPEDRPT-------------------

General information: TITO was launched using: RESULT: Template: 3AD4.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 : 1054 -4526 -4.29 -19.59 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -4.29 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.159

(partial model without unconserved sides chains): PDB file : Tito_3AD4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ad4-query.scw PDB file : Tito_Scwrl_3AD4.pdb: