Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MREKLKGGNIMKKWLLLLIGMGILFTGCTSENTRTKATIETDTTIETKKSKTQSTEQTTTEMKQSVETSASSITESSSEEVKNTLWDTNKASKLETFVTQWGKTLGQEYKS-YNLQNNVSLYGTPLPQAVINGDWKMAINEAPVTV-----QWSEDGTGHADFNLVAVYSDVETGEYLGQHVYFFGFQNGQPKVYLTQQNQGNENNYLYFNETQNQQLKQGFSDIVNGQTPQTPVVEESTQQATTTTTQSTSSSGISSWEAAKESVLNNKALWLYDSPDKNVSNTNLISTNEYMKDLMQDENGSYYSINIVTDDDGNTTMAGGKQFRVYTDGRISQRIGMTNNFQMIK 1HKH Chain:A ((163-207)) ------------------------------------------------------------------------------------------------------------YKNFYNLDENL---GSRISEQAVTGSWNVAIGSAPVAAYAVVPAWIED------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1HKH.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 : 56 1100 19.63 28.19 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : 19.63 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.374

(partial model without unconserved sides chains): PDB file : Tito_1HKH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1HKH-query.scw PDB file : Tito_Scwrl_1HKH.pdb: