Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPSSMSGYIPSYLDKDELCVVCGDKATGYHYRCITCEGCKGFFRRTIQKNLHPSYSCKYEGKCVIDKVTRNQCQECRFKKCIAVGMATDLVLDDNKRLAKRKLIEENREKRRKDEIQKSLVQKPEPTQEEWELIQVVTEAHVATNAQGSHWKQKRKFLPEDIGQAPIVNAPEGGKVDLEAFSQFTKIITPAITRVVDFAKKLPMFCELPCEDQIILLKGCCMEIMSLRAAVRYDPESETLTLNGEMAVTRGQLKNGGLGVVSDAIFDLGVSLSSFSLDDTEVALLQAVLLMSSDRPGLASVERIEKCQEGFLLAFEHYINYRKHNIAHFWPKLLMKVTDLRMIGACHASRFLHMKVECPTELFPPLFLEVFED 3D57 Chain:A ((16-266)) -------------------------------------------------------------------------------------------------------------------------HKPEPTDEEWELIKTVTEAHVATNAQGSHWKQKRKFLPEDIGQAP------GGKVDLEAFSHFTKIITPAITRVVDFAKKLPMFCELPCEDQIILLKGCCMEIMSLRAAVRYDPESETLTLNGEMAVTRGQLKNGGLGVVSDAIFRLGMSLSSFNLDDTEVALLQAVLLMSSDRPGLACVERIEKYQDSFLLAFEHYINYRKHHVTHFWPKLLMKVTDLRMIGACHASRFLHMKVECPTELFPPLFLEVFE-

General information: TITO was launched using: RESULT: Template: 3D57.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1138 -168937 -148.45 -689.54 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.85 3D Compatibility (PKB) : -148.45 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.349

(partial model without unconserved sides chains): PDB file : Tito_3D57.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3d57-query.scw PDB file : Tito_Scwrl_3D57.pdb: