Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEPIGRSLQGVTGRPDFQKRLEQMKEKVMKDQDVQAFLKENEEVIDQKMIEKSLNKLYEYIEQSKNCSYCSEDENCNNLLEGYHPKLVVNGRSIDIEYYECPVKRKLDQQKKQQSLMKSMYIQQDLLGATFQQVDISDPSRLAMFQHVTDFLKSYNETGKGKGLYLYGKFGVGKTFMLAAIANELAEKEYSSMIVYVPEFVRELKNSLQDQTLEEKLNMVKTTPVLMLDDIGAESMTSWVRDEVIGTVLQHRMSQQLPTFFSSNFSPDELKHHFTYSQRGEKEEVKAARLMERILYLAAPIRLDGENRRHP 3R8F Chain:C ((40-111)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------IFIYGSVGTGKTHLLQAAGNEAKKRGYRVIYSSADDFAQAMVEHLKKGTINEFRNMYKSVDLLLLDDV--------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3R8F.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 : 165 -23545 -142.69 -346.24 target 2D structure prediction score : 0.81 Monomeric hydrophicity matching model chain C : 0.62 3D Compatibility (PKB) : -142.69 2D Compatibility (Sec. Struct. Predict.) : 0.81 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.508

(partial model without unconserved sides chains): PDB file : Tito_3R8F.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3R8F-query.scw PDB file : Tito_Scwrl_3R8F.pdb: