Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDIRQVTET---IAMIEEQNFDIRTITMGISLLDCIDPNINRAAEKIYQKITTKAANLVAVGDEIAAELGIPIVNKRVSVTPISLIGAATDATDYVVLAKALDKAAKEIGVDF---------IGGFSALVQKGYQKGDEILINSIPRALAETDKVCSSVNIGSTKSGINMTAVADMGRIIKETANLSDMGVAKLVVFANAVEDNPFMAGAFHGVGEADVIINVGVSGPGVVKRALEKVRGQSFD--VVAETVKKTAFKITRIGQLVGQMASERLGVEFGIVDLSLAPTPAVGDSVARVLEEMGLETVGTHGTTAALALLNDQVKKGGVMACNQVGGLSGAFIPVSEDEGMIAAVQNGSLNLEKLEAMTAICSVGLDMIAIPEDTPAETIAAMIADEAAIGVINMKTTAVRIIPKGREGDMIEFGGLLGTAPVMKVNGASSVDFISRGGQIPAPIHSFKN 3AU7 Chain:A ((20-402)) HMRVWVGIDTYLAVLAMERVERELGKVIGFPRLIRLNPTINGAVSFLVEV--DDVGELVDVVNEVIIEPGAVFVDEELAV---KLKPFADKAIKDVLQIDEALFVIGKYFIPHLRHKKGRGLIGALAAVGAELEDFTLELIAYRYPERF------------GTEREYDEESFFDMDYELYPQTFDNVDWCNDVVVCIPN---------------TPCPVLYGIRGESVEALYKAMESVKTEPVDRRMIFVTNHATDMHLIGEEEVHRLENYRSYRLRGRVTLEPYDIEG--GHVFFEIDTKFGSVKCAAFEPTKQFRNVIRLLRKGDVVEVY-------------------GSMKKDTINLEKIQIVE-----------------------------------LAEGSERELQPG----------FYEVPPSARRHLSKPLIRMNVEGRHIFR------

General information: TITO was launched using: RESULT: Template: 3AU7.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 : 1922 20598 10.72 60.40 target 2D structure prediction score : 0.38 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 10.72 2D Compatibility (Sec. Struct. Predict.) : 0.38 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.227

(partial model without unconserved sides chains): PDB file : Tito_3AU7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AU7-query.scw PDB file : Tito_Scwrl_3AU7.pdb: