Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYIADSARYEKMEYRKSGHSGLKLPILSLGLWQNFGDYDPIHNQREILRGAFDMGITHFDLANNYGGPAGAAEKNFGRIFREDFQAYRDELIISSKAGYHMWEGPYGEWGSRKSIISSCDQSLQRMGLDYVDIFYHHRPDPDTPLEETAEALMQLVRQGKALYIGISNYNGEDTKKMTEILKRKEAPFIIHQMRYNMFSRALLEDDLSPVLEEEGLGAITFSPLAQGLLTNRYLHGIPEDSRAHRKEIPFLSEEQVGSTLEKIKALQTIAVSRGQSLAQMALAWNLRQKSVTSVLVGASRLSQLQESVRMMDNLDFSPEEELRIDQILE 3ERP Chain:B ((25-350)) --QPDENRYHTMEYRRCGRSGVKLPAISLGLWHNFGDTTRVENSRALLQRAFDLGITHFDLANNYGPPPGSAECNFGRILQEDFLPWRDELIISTKAGYTMWDGPYGDWGSRKYLIASLDQSLKRMGLEYVDIFYHHRPDPETPLKETMKALDHLVRHGKALYVGISNYPADLARQAIDILEDLGTPCLIHQPKYSLFERWVED-GLLALLQEKGVGSIAFSPLAGGQLTDRY------------------------DKLEKVRRLNELAARRGQKLSQMALAWVLRNDNVTSVLIGASKPSQIEDAVGMLANRRFSAAECAEIDAILE

General information: TITO was launched using: RESULT: Template: 3ERP.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1666 -168648 -101.23 -558.44 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.87 3D Compatibility (PKB) : -101.23 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.593

(partial model without unconserved sides chains): PDB file : Tito_3ERP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ERP-query.scw PDB file : Tito_Scwrl_3ERP.pdb: