Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEPIGRSLQGVTGRPDFQKRLEQMKEKVMKDQDVQAFLKENEEVIDQKMIEKSLNKLYEYIEQSKNCSYCSEDENCNNLLEGYHPKLVVNGRSIDIEYYECPVKRKLDQQKKQQSLMKSMYIQQDLLGATFQQVDISDPSRLAMFQHVTDFLKSYNETGKGKGLYLYGKFGVGKTFMLAAIANELAEKEYSSMIVYVPEFVRELKNSLQDQTLEEKLNMVKTTPVLMLDDIGAESMTSWVRDEVIGTVLQHRMSQQLPTFFSSNFSPDELKHHFTYSQRGEKEEVKAARLMERILYLAAPIRLDGENRRHP 2QGZ Chain:A ((100-300)) -----------------------------------------------------------------------------------------------------------QKQAAISERIQLVSLPKSYRHIHLSDIDVNNASRMEAFSAILDFVEQ-YPSAEQKGLYLYGDMGIGKSYLLAAMAHELSEKKGVSTTLLH---FPSFAIDVKNAISKEEIDAVKNVPVLILDDIG------AVRDEVLQVILQYRMLEELPTFFTSNYSFADLERKW---------AWQAKRVMERVRYLAREFHLEGANRR--

General information: TITO was launched using: RESULT: Template: 2QGZ.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 : 879 -124677 -141.84 -681.30 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -141.84 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.539

(partial model without unconserved sides chains): PDB file : Tito_2QGZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2QGZ-query.scw PDB file : Tito_Scwrl_2QGZ.pdb: