Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAAMASLGALALLLLSSLSRCSAEACLEPQITPSYYTTSDAVISTETVFIVEISLTCKNRVQNMALYADVGGKQFPVTRGQDVGRYQVSWSL---DHKSAHAGTYEVRFFD----EESYSLLRKAQRNNEDISIIPPLFTVSVDHRGTWNGPWVSTEVLAAAIGLVIYYLAFSAKSHIQA 4BKA Chain:A ((446-506)) ----------------------------------------------------------------------------LVQAKEVTRYSVALAWLEPDRPNGVILEYEVKYYEKDQNERSYRIVRTAARNT-DIKGLNPL------------------------------------------

General information: TITO was launched using: RESULT: Template: 4BKA.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 : 107 1538 14.37 28.47 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : 14.37 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.255

(partial model without unconserved sides chains): PDB file : Tito_4BKA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BKA-query.scw PDB file : Tito_Scwrl_4BKA.pdb: