Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MREKLKGGNIMKKWLLLLIGMGILFTGCTSENTRTKATIETDTTIETKKSKTQSTEQTTTEMKQSVETSASSITESSSEEVKNTLWDTNKASKLETFVTQWGKTLGQEYKSYNLQNNVSLYGTPLPQAVINGDWKMAINEAPVTVQWSEDGTGHADFNLVAVYSDVETGEYLGQHVYFFGFQNGQPKVYLTQQNQGNENNYLYFNETQNQQLKQGFSDIVNGQTPQTPVVEESTQQATTTTTQSTSSSGISSWEAAKESVLNNKALWLYDSPDKNVSNTNLISTNEYMKDLMQDENGSYYSINIVTDDDGNTTMAGGKQFRVYTDGRISQRIGMTNNFQMIK 4XYD Chain:B ((6-30)) -----TTSMARNIFYGGSLFFILIFVGLSV------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4XYD.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 5 -459 -91.80 -18.36 target 2D structure prediction score : 0.80 Monomeric hydrophicity matching model chain B : 0.56 3D Compatibility (PKB) : -91.80 2D Compatibility (Sec. Struct. Predict.) : 0.80 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.041

(partial model without unconserved sides chains): PDB file : Tito_4XYD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XYD-query.scw PDB file : Tito_Scwrl_4XYD.pdb: