Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLNLKSSHSTAFTPSSPAERYAEALASGQFMADEAQAQAVQELDRVWKELLNRYKASKKAFRRFRRQTSPKGVYMWGSVGRGKTWLMDQFYESVPFRRKTRMHFHHFMQHVHKELNKLSGQRNPLDIVADQIYKDAVVICFDEFFVS--NVTDAMILSDLFQKLFVRGVTLIATSNIAPDGLYKNGIHRDRFIPTIEMVKKNCVVLNVDAGVDYRLRVLKQAQLFKSPLGNEAQSWISECYTALTHTQTNSHEPIVINNRVVETLGHTEDVLWCEFSELCLKPRSPADFIEIANIYNTVLVSNVPHLTDFLSEGTRRFIYLVDEFYDRGVKLLLTSQDSIIDIYQGEKLAFEIERTRSRLLEMQSDEYLHSEHRHIDATKTS 5BQ5 Chain:B ((37-183)) -------------------------------------------------------------------DRKENILFLGPPGIGKTHLAISIGMEAI-ARGYKTYFITA-HDLVNQLRRAD-QEGKLEKKLRVF-VKPTVLIIDEMGYLKLDPNSAHYLFQVIARRYE-HAPIILTSNKSFGEWGEIVGDSVLATAMLDRLLHHSIIFNLKG-ESYRLREKR------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5BQ5.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 : 636 -46568 -73.22 -321.16 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.59 3D Compatibility (PKB) : -73.22 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.434

(partial model without unconserved sides chains): PDB file : Tito_5BQ5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5BQ5-query.scw PDB file : Tito_Scwrl_5BQ5.pdb: