Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPQLYIYIRLLGAYLFIISRVQGQNLDSMLHGTGMKSDSDQKKSENGVTLAPEDTLPFLKCYCSGHCPDDAINNTCITNGHCFAIIEEDDQGETTLASGCMKYEGSDFQCKDSPKAQLRRTIECCRTNLCNQYLQPTLPPVVIGPFFDGSIRWLVLLISMAVCIIAMIIFSSCFCYKHYCKSISSRRRYNRDLEQDEAFIPVGESLKDLIDQSQSSGSGSGLPLLVQRTIAKQIQMVRQVGKGRYGEVWMGKWRGEKVAVK----VFFTTEEASWFRETEIYQTVLMRHENILGFIAADIKGTGSWTQLYLITDYHENGSLYDFLKCATLDTRALL------KLAYSAACGLCHLHTEIYGTQGKPAIAHRDLKSKNILIKKNGSCCIADLGLAVKFNSDTNEVDVPLNTRVGTKRYMAPEVLDESLNKNHFQPYIMADIYSFGLIIWEMARRCITG-GIVEEYQLPYYNMVPSDPSYEDMREVVCVKRLRPIVSNRWNSDECLRAVLKLMSECWAHNPASRLTALRIKKTLAKMVESQDVKI 4XS2 Chain:D ((32-234)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KMGEG--GVVYKGYVNNTTVAVKKLAA-----EELKQQFDQEIKVMAKCQHENLVELLGFSSDGD----DLCLVYVYMPNGSLLDRLSC--LDGTPPLSWHMRCKIAQGAANGINFLHENHH--------IHRDIKSANILLDEAFTAKISDFGLA-----RASEKFAQ--RIVGTTAYMAPEAL-----RGEITP--KSDIYSFGVVLLEI----ITGLPAVDEHREP----------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4XS2.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 805 -19788 -24.58 -111.17 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain D : 0.58 3D Compatibility (PKB) : -24.58 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.088

(partial model without unconserved sides chains): PDB file : Tito_4XS2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4xs2-query.scw PDB file : Tito_Scwrl_4XS2.pdb: