Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEPIGRSLQGVTGRPDFQKRLEQMKEKVMKDQDVQAFLKENEEVIDQKMIEKSLNKLYEYIEQSKNCSYCSEDENCNNLLEGYHPKLVVNGRSIDIEYYECPVKRKLDQQKKQQSLMKSMYIQQDLLGATFQQVDISDPSRLAMFQHVTDFLKSYNETGKGKGLYLYGKFGVGKTFMLAAIANELAEKEYSSMIVYVPEFVRELKNSLQDQTLEEKLNMVKTTPVLMLDDIGAESMTSWVRDEVIGTVLQHRMSQQLPTFFSSNFSPDELKHHFTYSQRGEKEEVKAARLMERILYLAAPIRLDGENRRHP 1L8Q Chain:A ((40-109)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------IFIYGSVGTGKTHLLQAAGNEAKKRGYRVIYSSADDFAQAMVEHLKKGTINEFRNMYKSVDLLLLDDV--------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1L8Q.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 : 169 -25023 -148.06 -367.98 target 2D structure prediction score : 0.79 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -148.06 2D Compatibility (Sec. Struct. Predict.) : 0.79 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.553

(partial model without unconserved sides chains): PDB file : Tito_1L8Q.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1L8Q-query.scw PDB file : Tito_Scwrl_1L8Q.pdb: