Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQKDHVGAVYELLNEAAIMIKNELQISYIEALAEAGEMYFLEKTDQLKLPADQKTKQLQALLEKAEFGTYEHEWVRKAFQLAVLKGMKDISHPNRQMTPDTIGLFISYLVNKFMADKKELTILDPALGTGNLLFTVLNQLSEKTANSFGIEIDDVLLKIAYAQANLLKKELELFHQDSLEPLFIDPVDTVICDLPVGYYPNDEGA---------EAFELK--ADEGHSFAHHLFIEQSVKHTKPGGYLFFMIPNHLFESSQSGKLKQFFKDKVHINALLQLPKSIFKDEAHAKSILVLQKQGENTKAPGQILLANLPSFSNQKAMLDMMAQFDEWFKKEK 2IH2 Chain:A ((21-213)) -----------------------------------------------------------------------------------------------VETPPEVVDFMVSLAEA----PRGGRVLEPACAHGPFLRAFREAHG-TAYRFVGVEIDPKALDLPPW--------AEGILADFLLWEPGEAFDLILGNPPYGIVGEASKYPIHVFKAVKDLYKKAFSTWKGKYNLYGAFLEKAVRLLKPGGVLVFVVPATWLVLEDFALLREFLAREGKTS-VYYLG-EVFPQKKVSAVVIRFQKSGK-------------------------------------

General information: TITO was launched using: RESULT: Template: 2IH2.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 : 870 -59425 -68.30 -326.51 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -68.30 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.398

(partial model without unconserved sides chains): PDB file : Tito_2IH2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2IH2-query.scw PDB file : Tito_Scwrl_2IH2.pdb: