Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKWDLPIWLTRRKEMSEKLVEIKDLEISFGEGSKKFVAVKNANFFINKGETFSLVGESGSGKTTIGRAIIGLNDTSNGDIIFDGQKINGKKSREQAAELIRRIQMIFQDPAASLNERATVDYIISEGLYNHRLFKDEEERKEKVQSIIREVGLLAEHLTRYPHEFSGGQRQRIGIARALVMQPDFVIADEPISALDVSVRAQVLNLLKKFQKELGLTYLFIAHDLSVVRFISDRIAVIYKGVIVEVAETEELFNNPIHPYTQALLSAVPIPDPILERKKVLKVYDPSQHDYETDKPSMVEIRPGHYVWANQAELARYQKGLN------------------------------------------------------- 1OXS Chain:C ((1-352)) MVR-----------------IIVKNVSKVFKKG--KVVALDNVNINIENGERFGILGPSGAGKTTFMRIIAGLDVPSTGELYFDDRLVASNGKLIVPPED-RKIGMVFQTWA--LYPNLTAFENIAFPLTNMK--MSKEEIRKRVEEVAKILDI-HHVLNHFPRELSGGQQQRVALARALVKDPSLLLLDEPFSNLDARMRDSARALVKEVQSRLGVTLLVVSHDPADIFAIADRVGVLVKGKLVQVGKPEDLYDNPVSIQVASLIGEINELEGKVTNEG-VVIGSLRFPVSVSSDRAIIGIRPEDVKLSKDVIKDDSWILVGKGKVKVIGYQGGLFRITITPLDSEEEIFTYSDHPIHSGEEVLVYVRKDKIKVFEK

General information: TITO was launched using: RESULT: Template: 1OXS.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 : 1481 -176249 -119.01 -593.43 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain C : 0.71 3D Compatibility (PKB) : -119.01 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.427

(partial model without unconserved sides chains): PDB file : Tito_1OXS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1OXS-query.scw PDB file : Tito_Scwrl_1OXS.pdb: