Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEPIGRSLQGVTGRPDFQKRLEQMKEKVMKDQDVQAFLKENEEVIDQKMIEKSLNKLYEYIEQSKNCSYCSEDENCNNLLEGYHPKLVVNGRSIDIEYYECPVKRKLDQQKKQQSLMKSMYIQQDLLGATFQQVDISDPSRLAMFQHVTDFLKSYNETGKGKGLYLYGKFGVGKTFMLAAIANELAEKEYSSMIVYVPEFVRELKNSLQDQTLEEKLNMVKTTPVLMLDDIGAESMTSWVRDEVIGTVLQHRMSQQLPTFFSSNFSPDELKHHFTYSQRGEKEEVKAARLMERILYLAAPIRLDGENRRHP 4M4W Chain:J ((32-309)) -------------------------------QDVQAFLKENEEVIDQKMIEKSLNKLYEYIEQSKNCS-------------GYHPKLVVNGRSIDIEYYEC---------KKQQSLMKSMYIQQDLLGATFQQVDISDPSRLAMFQHVTDFLKSYNETGKGKGLYLYGKFGVGKTFMLAAIANELAEKEYSSMIVYVPEFVRELKNS---QTLEEKLNMVKTTPVLMLDDIGAES---WVRDEVIGTVLQHRMSQQLPTFFSSNFSPDELKHHFTYSQ-----EVKAARLMERILYLAAPIRLDGENRR--

General information: TITO was launched using: RESULT: Template: 4M4W.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain J - contact count / total energy / energy per contact / energy per residue : 1115 -109780 -98.46 -448.08 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain J : 0.92 3D Compatibility (PKB) : -98.46 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.92 QMean score : 0.374

(partial model without unconserved sides chains): PDB file : Tito_4M4W.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4M4W-query.scw PDB file : Tito_Scwrl_4M4W.pdb: