Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MREKLKGGNIMKKWLLLLIGMGILFTGCTSENTRTKATIETDTTIETKKSKTQSTEQTTTEMKQSVETSASSITESSSEEVKNTLWDTNKASKLETFVTQWGKTLGQEYKSYNLQNNVSLYGTPLPQAVINGDWKMAINEAPVTVQWSEDGTGHADFNLVAVYSDVETGEYLGQHVYFFGFQNGQPKVYLTQQNQGNENNYLYFNETQNQQLKQGFSDIVNGQTPQTPVVEESTQQATTTTTQSTSSSGISSWEAAKESVLNNKALWLYDSPDKNVSNTNLISTNEYMKDLMQDENGSYYSINIVTDDDGNTTMAGGKQFRVYTDGRISQRIGMTNNFQMIK 3UBH Chain:A ((365-418)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SDDHFAVDSNGIIVNN--KQLDADNNNAYYEFIVTAKDKGEPPKSGVATVRVYTKN----------------

General information: TITO was launched using: RESULT: Template: 3UBH.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 : 129 -203 -1.57 -3.75 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -1.57 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.255

(partial model without unconserved sides chains): PDB file : Tito_3UBH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3UBH-query.scw PDB file : Tito_Scwrl_3UBH.pdb: