Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEPIGRSLQGVTGRPDFQKRLEQMKEKVMKDQDVQAFLKENEEVIDQKMIEKSLNKLYEYIEQSKNCSYCSEDENCNNLLEGYHPKLVVNGRSIDIEYYECPVKRKLDQQKKQQSLMKSMYIQQDLLGATFQQVDISDPSRLAMFQHVTDFLKSYNETGKGKGLYLYGKFGVGKTFMLAAIANELAEKEYSSMIVYVPEFVRELKNSLQDQTLEEKLNMVKTTPVLMLDDIGAESMTSWVRDEVIGTVLQHRMSQQLPTFFSSNFSPDELKHHFTYSQRGEKEEVKAARLMERILYLAAPIRLDGENRRHP 2W58 Chain:A ((4-202)) --------------------------------------------------------------------------------------------------------------KRQESLIQSMFMPREILRASLSDVDLNDDGRIKAIRFAERFVAEYEPGKKMKGLYLHGSFGVGKTYLLAAIANELAKRNVSSLIVYVPELFRELKHS---QTMNEKLDYIKKVPVLMLDDLGAE---SWVRDDVFGPILQYRMFENLPTFFTSNFDMQQLAHHLTYSQ-----KVKAARIMERIRYLAYPIEITGPNRR--

General information: TITO was launched using: RESULT: Template: 2W58.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 : 887 -126821 -142.98 -674.58 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -142.98 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.545

(partial model without unconserved sides chains): PDB file : Tito_2W58.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2W58-query.scw PDB file : Tito_Scwrl_2W58.pdb: