Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTINIVAGGPKNLIPDLTGYTDEHTLWIGVDKGTVTLLDAGIIPVEAFGDFDSITEQERRRIEKAAPALHVYQAEKDQTDLDLALDWALEKQPDI-IQIFGITGGRADHFLGNIQLLYKGVKTNI--KIRLIDKQNHIQMFPPGEYDIEKDENKRYISFIPFSEDIHELTLTGFKYPLNNCHITLGSTLCISNELIHSRGTFSFAKGILIMIRSTD 3MEL Chain:A ((6-213)) -----LVAGGNPSDWPTIEPATYDY--FVGIDRGCLHLLEADLPLQLAVGDFDSLSREEYHFVQETTETLIQAPAEKDDTDTQLALQEALQRFPQAEMTIIGATGGRIDHLLANLWLPFEPRFQGVLRQIRLCDRQNSIQYYAPGSYIVPKEPDKEYLAYCCLTP-VENLTLRRSKYLLTNQDVPYPTSYA-SNEFIEEAAAFSFDAGMIAVIQSKD

General information: TITO was launched using: RESULT: Template: 3MEL.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 : 1042 -133659 -128.27 -651.99 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -128.27 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.445

(partial model without unconserved sides chains): PDB file : Tito_3MEL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3MEL-query.scw PDB file : Tito_Scwrl_3MEL.pdb: