Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSEDVKKYFTTGEFSKLCRVKKQTLFHYDEIGLFSPEIKKENGYRYYSYHQFETFQVISLFKELGVPLKEIKCLIKGKTPDKILHVLKEKSIEIDKKINELKQLQTILQTKVTLTEQALETDFSSISFEYLNEETFMLSRKTLNLPERKYVAAISELIHEVQQYELDEGYPIGGIFAREQILEKDFYNYSYFYIKVKDGAENINYHVRPKGLYAVGYEIGGNTEEAYRRIIEFIERNGMQIGENAYEEYMLDEMVVDGYENTYAKILLQVKEV 1JBG Chain:A ((2-107)) -------KYQVKQVAEISGVSIRTLHHYDNIELLNPSALTDAGYRLYSDADLERLQQILFFKEIGFRLDEIKEMLDHPNFDRKAALQSQKEILMKKKQRMDEMIQTIDRTLLS----------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1JBG.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 : 262 -42799 -163.35 -403.76 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -163.35 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.612

(partial model without unconserved sides chains): PDB file : Tito_1JBG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1JBG-query.scw PDB file : Tito_Scwrl_1JBG.pdb: