Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFQTLDHFLKSWEFEADATQKLLNSLTDESLKQEITSQNWTLGRIAWHTVAAIGIIT-SNTDLT--FQAP---A----------------ED---YPVPTSAQFIADSYHQASNAFVQALKTQWTDHTLQERINFI-GQQMPNGSLLMFLIQHQNHHRGQMTVLMRQAGLTVPGIYGPAKEEWAKFGLEAPKM 3CEX Chain:A ((3-172)) AMKVTQLSSETLDRAHERFEETLAQMTVAEANTMPAPLIKSVTWLMWHTARELDLQISALNHSDPLWLSQHWTEKFALDLPDETEDWHHTPEEAAKVVVAEKQLLSDYLAASVALTKSYLDQI-KEEQLSDVIDKNWTPPVTRQVRLVSAIDDAVMHSGQAVYTRRLVIGK----------------------

General information: TITO was launched using: RESULT: Template: 3CEX.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 : 491 15792 32.16 109.67 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : 32.16 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.499

(partial model without unconserved sides chains): PDB file : Tito_3CEX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CEX-query.scw PDB file : Tito_Scwrl_3CEX.pdb: