Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPQLYIYIRLLGAYLFIISRVQGQNLDSMLHGTGMKSDSDQKKSENGVTLAPEDTLPFLKCYCSGHCPDDAINNTCITNGHCFAIIEEDDQGETTLASGCMKYEGSDFQCKDSPKAQLRRTIECCRTNLCNQYLQPTLPPVVIGPFFDGSIRWLVLLISMAVCIIAMIIFSSCFCYKHYCKSISSRRRYNRDLEQDEAFIPVGESLKDLIDQSQSSGSGSGLPLLVQRTIAKQIQMVRQVGKGRYGEVWMGKWRGEKVAVK-VFFTTEEASWFRETEIYQTVLMRHENILGFIAADIKGTGSWTQLYLITDYHENGSLYDFLKCATLDTRALL------KLAYSAACGLCHLHTEIYGTQGKPAIAHRDLKSKNILIKKNGSCCIADLGLAVKFNSDTNEVDVPLNTRVGTKRYMAPEVLDESLNKNHFQPYIMADIYSFGLIIWEMARRCITG-GIVEEYQLPYYNMVPSDPSYEDMREVVCVKRLRPIVSNRWNSDECLRAVLKLMSECWAHNPASRLTALRIKKTLAKMVESQDVKI 5UIS Chain:A ((54-259)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KMGEG--GVVYKGYVNNTTVAVKK-------LKQQFDQEIKVMAKCQHENLVELLGFSSDGD----DLCLVYVYMPNGSLLDRLSC--LDGTPPLSWHMRCKIAQGAANGINFLHENHH--------IHRDIKSANILLDEAFTAKISDFGLA----RA------VMSRIVGTTAYMAPEAL-----RGEITP--KSDIYSFGVVLLEI----ITGLPAVDEHREP----------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5UIS.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 : 819 -24011 -29.32 -137.99 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -29.32 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.117

(partial model without unconserved sides chains): PDB file : Tito_5UIS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5uis-query.scw PDB file : Tito_Scwrl_5UIS.pdb: