Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPSSMSGYIPSYLDKDELCVVCGDKATGYHYRCITCEGCKGFFRRTIQKNLHPSYSCKYEGKCVIDKVTRNQCQECRFKKCIAVGMATDLVLDDNKRLAKRKLIEENREKRRKDEIQKSLVQKPEPTQEEWELIQVVTEAHVATNAQGSHWKQKRKFLPEDIGQAPIVNAPEGGKVDLEAFSQFTKIITPAITRVVDFAKKLPMFCELPCEDQIILLKGCCMEIMSLRAAVRYDPESETLTLNGEMAVTRGQLKNGGLGVVSDAIFDLGVSLSSFSLDDTEVALLQAVLLMSSDRPGLASVERIEKCQEGFLLAFEHYINYRKHNIAHFWPKLLMKVTDLRMIGACHASRFLHMKVECPTELFPPLFLEVFED 1Y0X Chain:X ((22-280)) -----------------------------------------------------------------------------------------------------------------EELQKSIGHKPEPTDEEWELIKTVTEAHVATNAQGSHWKQKRKFLPEDIG------------VDLEAFSHFTKIITPAITRVVDFAKKLPMFCELPCEDQIILLKGCCMEIMSLRAAVRYDPESETLTLNGEMAVTRGQLKNGGLGVVSDAIFDLGMSLSSFNLDDTEVALLQAVLLMSSDRPGLACVERIEKYQDSFLLAFEHYINYRKHHVTHFWPKLLMKVTDLRMIGACHASRFLHMKVECPTELFPPLFLEVFE-

General information: TITO was launched using: RESULT: Template: 1Y0X.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain X - contact count / total energy / energy per contact / energy per residue : 1129 -160253 -141.94 -648.80 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain X : 0.85 3D Compatibility (PKB) : -141.94 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.362

(partial model without unconserved sides chains): PDB file : Tito_1Y0X.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1y0x-query.scw PDB file : Tito_Scwrl_1Y0X.pdb: