Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDNHTRKLLGLTDKHLFFDEEWLIEKEYKGVQAQFIKGKLDDSSSYCEHCRSVRIIRNGSYTTRTQMLKVKEKLTILELKRTRFLCHDCGRTFSAKTDLVDEHHQLTKELKQVILMELYENQSRKLIAKKYFVSDGTVTRILREATKHYQPRMNFLPTVLCMDEFKSMNSVSGSMSFICVDGTTNQLFTILEDRRLYKLTQYFLRFPRKARLKVKYLVMDMNASYCQLLKTVFPNAEIVTDRFHIVQHI--NRSFNQLRVQIMNRFRTSHSENQKKYRRLKRYWKLLLKDSTTLEPLKRHYHRLFKRPISQTEIVDELLSYNEELRTAYHFCQLLRYYFVKRGTEGFQETLKQFHLRYLSRLKRNSRSSIATNRVFQMPLRCPTQTASLRG 5DSG Chain:A ((12-154)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------EMVFIATVTGSLSLVTVVGNILVMLSIKVNRQLQTVNNYFLFSLACADLIIGAFSMNLYTVY--IIKGYWPLGAVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPARRTTKMAGLMIAAAWVLS------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5DSG.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 : 330 -45574 -138.10 -356.04 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -138.10 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.187

(partial model without unconserved sides chains): PDB file : Tito_5DSG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5DSG-query.scw PDB file : Tito_Scwrl_5DSG.pdb: