Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLNLKSSHSTAFTPSSPAERYAEALASGQFMADEAQAQAVQELDRVWKELLNRYKASKKAFRRFRRQTSPKGVYMWGSVGRGKTWLMDQFYESVPFRRKTRMHF---HHFMQHVHKELNKLSGQRNPLDIVADQIYKDAVVICFDEFFVSNVTDA---MILSDLFQKLFVRGVTLIATSNIAPDGLYKNGI------HRDRFIPTIEMVKKNCVVLNVDAGVDYRLRVLKQAQLFKSPLGNEAQSWISECYTALTHTQTNSHEPIVINNRVVETLGHTEDVLWCEFSELCLKPRSPADFIEIANIYNTVLVSNVPHLTDFLSEGTRRFIYLVDEFYDRGVKLLLTSQDSIIDIYQGEKLAFEIERTRSRLLEMQSDEYLHSEHRHIDATKTS 5HE8 Chain:C ((23-173)) -------------------------------------------------------------------EQVKGLYLYGPFGTGKSFILGAIANQLK-SKKVRSTIIYLPEFIRTLKGGFKD-----GSFEKKLHR-VREANILMLDDIGAEEVTPWVRDEVIGPLLHYRMVHELPTFFSSNFDYSELEHHLAMTRDGEEKTKAARIIERVKSLSTPYFLSG-ENFRN----------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5HE8.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 572 -7809 -13.65 -56.18 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain C : 0.61 3D Compatibility (PKB) : -13.65 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.423

(partial model without unconserved sides chains): PDB file : Tito_5HE8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5HE8-query.scw PDB file : Tito_Scwrl_5HE8.pdb: