Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNQNDKRKMMKGLYIVPLAAATLLLGACATTVKPTYVSPTQYQSLSCQQLQSEYNRIQQYIDNGVQTPKSTGMGVGLGLGGGWGRGGWGFGPSISVNMGQSSSTKNTELSRVLGQQEAIVQAAQFKNCPIIVRKKTN 5SYM Chain:A ((176-223)) --------------LVPLMFGSLTVEKLKTLVNPANVTFKTYEGMMHSSCQQEMMDVKQFID---------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5SYM.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 : 63 -4981 -79.06 -103.77 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -79.06 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.491

(partial model without unconserved sides chains): PDB file : Tito_5SYM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5SYM-query.scw PDB file : Tito_Scwrl_5SYM.pdb: