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:C ((32-234)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KMGEGGFGVVYKGYVNNTTVAVKKL---TTEELKQQFDQEIKVMAKCQHENLVELLGFSS--------LCLVYVYMPNGSLLDRLSC--LDGTPPLSWHMRCKIAQGAANGINFLHENHH--------IHRDIKSANILLDEAFTAKISDFGLA-----RASEK-AQVMRIVGTTAYMAPEAL-----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 C - contact count / total energy / energy per contact / energy per residue : 837 -13350 -15.95 -74.58 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain C : 0.59 3D Compatibility (PKB) : -15.95 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.100

(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: