Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDNHTRKLLGLTDKHLFFDEEWLIEKEYKGVQAQFIKGKLDDSSSYCEHCRSVRIIRNGSYTTRTQMLKVKEKLTILELKRTRFLCHDCGRTFSAKTDLVDEHHQLTKELKQVILMELYENQSRKLIAKKYFVSDGTVTRILREATKHYQPRMNFLPTVLCMDEFKSMNSVSGSMSFICVDGTTNQLFTILEDRRLYKLTQYFLRFPRKARLKVKYLVMDMNASYCQLLKTVFPNAEIVTDRFHIVQHINRSFNQLRVQIMNRFRTSHSENQKKYRRLKRYWKLLLKDSTTLEPLKRHYHRLFKRPISQTEIVDELLSYNEELRTAYHFCQLLRYYFVKRGTEGFQETLKQFHLRYLSRLKRNSRSSIATNRVFQMPLRCPTQTASLRG 2AKL Chain:A ((25-57)) -----------------------------------------STLPPCPQCNSEYTYED---------------------G-ALLVCPECAHEWSPN-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2AKL.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 : 100 -9280 -92.80 -281.20 target 2D structure prediction score : 0.21 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : -92.80 2D Compatibility (Sec. Struct. Predict.) : 0.21 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.483

(partial model without unconserved sides chains): PDB file : Tito_2AKL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2AKL-query.scw PDB file : Tito_Scwrl_2AKL.pdb: