Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTALYSVIKFKIIELIKSGKYQANDQLPTESEFCEQYDVSRTTVRLALQQLELEGYIKRIQGKGTFVSAAKIQTP--IPHKITSFAEQMRGLRSESKVLELVVIPADHSIAELLKMKENEPVNKLVRVRYAEGEPLQYHTSYIPWKAAPGLAQEECTGSLFELLRTKYNIEISRGTESIEPILTDETISGHLLTNVGAPAFLSESLTYDKNEEVVEYAQIITRGDRTKFTVEQSYHS 3BWG Chain:A ((8-236)) -----QQIATEIETYIEEHQLQQGDKLPVLETLMAQFEVSKSTITKSLELLEQKGAIFQVRGSGIFVRKHKRKGYISLL-SNQG------DFNVTSKVIELDVRKPTPEAAENLNIGMDEDIYYVKRVRYINGQTLCYEESYYTKSIVTYLNNEIVSHSIFHYIREGLGLKIGFSDLFLHVGQLNEEEAEYLGLEAGLPKLYIESIFHLTNGQPFDYSKISYNYEQSQFVVQANS--

General information: TITO was launched using: RESULT: Template: 3BWG.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 : 961 -83511 -86.90 -377.88 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -86.90 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.461

(partial model without unconserved sides chains): PDB file : Tito_3BWG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BWG-query.scw PDB file : Tito_Scwrl_3BWG.pdb: