Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEPIGRSLQGVTGRPDFQKRLEQMKEKVMKDQDVQAFLKENEEVIDQKMIEKSLNKLYEYIEQSKNCSYCSEDENCNNLLEGYHPKLVVNGRSIDIEYYECPVKRKLDQQKKQQSLMKSMYIQQDLLGATFQQVDISDPSRLAMFQHVTDFLKSYNETGKGKGLYLYGKFGVGKTFMLAAIANELAEKEYSSMIVYVPEFVRELKNSLQDQTLEEKLNMVKTTPVLMLDDIGAESMTSWVRDEVIGTVLQHRMSQQLPTFFSSNFSPDELKHHFTYSQRGEKEEVKAARLMERILYLAAPIRLDGENRRHP 1SXJ Chain:C ((33-80)) ---------------------------------------------------------------------------------------------------------------------------------------------------VITTVRKFVDEGKLPHLLFYGPPGTGKTSTIVALAREIYGKNYSNMVL--------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1SXJ.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 : 77 -17868 -232.05 -372.25 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain C : 0.60 3D Compatibility (PKB) : -232.05 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.566

(partial model without unconserved sides chains): PDB file : Tito_1SXJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1SXJ-query.scw PDB file : Tito_Scwrl_1SXJ.pdb: