Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPQLYIYIRLLGAYLFIISRVQGQNLDSMLHGTGMKSDSDQKKSENGVTLAPEDTLPFLKCYCSGHCPDDAINNTCITNGHCFAIIEEDDQGETTLASGCMKYEGSDFQCKDSPKAQLRRTIECCRTNLCNQYLQPTLPPVVIGPFFDGSIRWLVLLISMAVCIIAMIIFSSCFCYKHYCKSISSRRRYNRDLEQDEAFIPVGESLKDLIDQSQSSGSGSGLPLLVQRTIAKQIQMVRQVGKGRYGEVWMGKWRGE-KVAVKVFFTTEEASWFRETEIYQTVLMR---HENILGFIAADIKGTGSWTQLYLITDYHENGSLYDFLKCAT---LDTRALLKLAYSAACGLCHLHTEIYGTQGKPAIAHRDLKSKNILIKKNGSCCIADLGLAVKFNSDTNEVDVPLNTRVGTK---RYMAPEVLDESLNKNHFQPYIMADIYSFGLIIWEMARRCITGGIVEEYQLPYYNMVPSDPSYEDMREVVCVKRLRPIVSNRWNSDECLRAVLKLMSECWAHNPASRLTALRIKKTLAKMVESQDVKI 3KXZ Chain:A ((23-264)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LKLVERLGAGQFGEVWMGYYNGHTKVAVK---SLKQGSMSPDAFLAEANLMKQLQHQRLVRLYAVVTQ-----EPIYIITEYMENGSLVDFLKTPSGIKLTINKLLDMAAQIAEGMAFIEERNY--------IHRDLRAANILVSDTLSCKIADFGLARLI--EDNET-----AREGAKFPIKWTAP----EAINYGTFT--IKSDVWSFGILLTE---------IVTHGRIPYPGM--TNPEVIQNLE-RGYRMVRP--------DNCPEELYQLMRLCWKERPEDRPT-------------------

General information: TITO was launched using: RESULT: Template: 3KXZ.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 : 1089 -8358 -7.67 -36.18 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -7.67 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.161

(partial model without unconserved sides chains): PDB file : Tito_3KXZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3kxz-query.scw PDB file : Tito_Scwrl_3KXZ.pdb: