Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPQLYIYIRLLGAYLFIISRVQGQNLDSMLHGTGMKSDSDQKKSENGVTLAPEDTLPFLKCYCSGHCPDDAINNTCITNGHCFAIIEEDDQGETTLASGCMKYEGSDFQCKDSPKAQLRRTIECCRTNLCNQYLQPTLPPVVIGPFFDGSIRWLVLLISMAVCIIAMIIFSSCFCYKHYCKSISSRRRYNRDLEQDEAFIPVGESLKDLIDQSQSSGSGSGLPLLVQRTIAKQIQMVRQVGKGRYGEVWMGKWRGEKVAVK--VFFTTEEASWFRETEIYQTVLMRHENILGFIAADIKGTGSWTQLYLITDYHENGSLYDFLKCATLDTRALL------KLAYSAACGLCHLHTEIYGTQGKPAIAHRDLKSKNILIKKNGSCCIADLGLA---VKFNSDTNEVDVPLNTRVGTKRYMAPEVLDESLNKNHFQPYIMADIYSFGLIIWEMARRCITG-GIVEEYQLPYYNMVPSDPSYEDMREVVCVKRLRPIVSNRWNSDECLRAVLKLMSECWAHNPASRLTALRIKKTLAKMVESQDVKI 6F3I Chain:B ((53-255)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KMGEGGFGVVYKGYVNNTTVAVKKL----TEELKQQFDQEIKVMAKCQHENLVELLGFSSDGD----DLCLVYVYMPNGSLLDRLSC--LDGTPPLSWHMRCKIAQGAANGINFLHENHH--------IHRDIKSANILLDEAFTAKISDFGLARAS-----TVMRI-------VGTTAYMAPEAL-----RGEITP--KSDIYSFGVVLLEI----ITGLPAVDEHREP----------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 6F3I.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 : 832 -10573 -12.71 -59.73 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.59 3D Compatibility (PKB) : -12.71 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.109

(partial model without unconserved sides chains): PDB file : Tito_6F3I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-6f3i-query.scw PDB file : Tito_Scwrl_6F3I.pdb: