Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEPIGRSLQGVTGRPDFQKRLEQMKEKVMKDQDVQAFLKENEEVIDQKMIEKSLNKLYEYIEQSKNCSYCSEDENCNNLLEGYHPKLVVNGRSIDIEYYECPVKRKLDQQKKQQSLMKSMYIQQDLLGATFQQVDISDPSRLAMFQHVTDFLKSYNETGKGKGLYLYGKFGVGKTFMLAAIANELAEKEYSSMIVYVPEFVRELKNSLQDQTLEEKLNMVKTTPVLMLDDIGAESMTSWVRDEVIGTVLQHRMSQQLPTFFSSNFSPDELKHHFTYSQRGEKEEVKAARLMERILYLAAPIRLDGENRRHP 2HCB Chain:A ((39-112)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------IFIYGSVGTGKTHLLQAAGNEAKKRGYRVIYSSADDFAQAMVEHLKKGTINEFRNMYKSVDLLLLDDV--------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2HCB.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 : 160 -23957 -149.73 -352.30 target 2D structure prediction score : 0.81 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -149.73 2D Compatibility (Sec. Struct. Predict.) : 0.81 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.527

(partial model without unconserved sides chains): PDB file : Tito_2HCB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2HCB-query.scw PDB file : Tito_Scwrl_2HCB.pdb: