Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPQLYIYIRLLGAYLFIISRVQGQNLDSMLHGTGMKSDSDQKKSENGVTLAPEDTLPFLKCYCSGHCPDDAINNTCITNGHCFAIIEEDDQGETTLASGCMKYEGSDFQCKDSPKAQLRRTIECCRTNLCNQYLQPTLPPVVIGPFFDGSIRWLVLLISMAVCIIAMIIFSSCFCYKHYCKSISSRRRYNRDLEQDEAFIPVGESLKDLIDQSQSSGSGSGLPLLVQRTIAKQIQMVRQVGKGRYGEVWMGKWRGEKVAVK--VFFTTEEASWFRETEIYQTVLMRHENILGFIAADIKGTGSWTQLYLITDYHENGSLYDFLKCATLDTRALL------KLAYSAACGLCHLHTEIYGTQGKPAIAHRDLKSKNILIKKNGSCCIADLGLA---VKFNSDTNEVDVPLNTRVGTKRYMAPEVLDESLNKNHFQPYIMADIYSFGLIIWEMARRCITG-GIVEEYQLPYYNMVPSDPSYEDMREVVCVKRLRPIVSNRWNSDECLRAVLKLMSECWAHNPASRLTALRIKKTLAKMVESQDVKI 5K75 Chain:B ((32-234)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KMGEGGFGVVYKGYVNNTTVAVKKL---TTEELKQQFDQEIKVMAKCQHENLVELLGFSS--D----DLCLVYVYMPNGSLLDRLSC--LDGTPPLSWHMRCKIAQGAANGINFLHENHH--------IHRDIKSANILLDEAFTAKISDFGLARAS----QTVMRI-------VGTTAYMAPEAL-----RGEITP--KSDIYSFGVVLLEI----ITGLPAVDEHREP----------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5K75.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 855 -18535 -21.68 -104.72 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.59 3D Compatibility (PKB) : -21.68 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.114

(partial model without unconserved sides chains): PDB file : Tito_5K75.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5k75-query.scw PDB file : Tito_Scwrl_5K75.pdb: