Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQKDHVGAVYELLNEAAIMIKNELQISYIEALAEAGEMYFLEKTDQLKLPADQKTKQLQALLEKAEFGTYEHEWVRKAFQLAVLKGMKDISHPNRQMTPDTIGLFISYLVNKFMADKKELTILDPALGTGNLLFTVLNQLSEKTANSFGIEIDDVLLKIAYAQANLLKKELELFHQDSLEPLFIDPVDTVICDLPVGYYPNDEGAEAFELKADEGHSFAHHLFIEQSVKHTKPGGYLFFMIPNHLFESSQSGKLKQFFKDKVHINALLQLPKSIFKDEAHAKSILVLQKQGENTKAPGQILLANLPSFSNQKAMLDMMAQFDEWFKKEK 2GH1 Chain:A ((13-112)) ----------------------------------------------------------------------------------YLKNTRDLYYNDD---------YVSFLVNTVWKITKPVHIVDYGCGYGYLGLVLMPLLPEGSKYT-GIDSGETLLAEARELFRLLPYDSEFLEGDATEIELNDKYDIAIC-----------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2GH1.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 : 404 -42306 -104.72 -423.06 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -104.72 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.316

(partial model without unconserved sides chains): PDB file : Tito_2GH1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2GH1-query.scw PDB file : Tito_Scwrl_2GH1.pdb: