Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKIKDLMTADLQYCTVLDNVYEAAVKMKDANVGAIPVVDEDGETLVGIVTDRDLVLRGIAIKKPNSQKITDAMTEKPVSVEEDASVDEVLHLMASHQLRRIPVTKN-KKLTGIVTLGDLSLSEQTNERAGSALSDISEGDNREEGFFH 3KPB Chain:A ((1-115)) -TLVKDILSKPPITAHSNISIMEAAKILIKHNINHLPIVDEHGK-LVGIITSWDIA-KALA---QNKKTIEEIMTRNVITAHEDEPVDHVAIKMSKYNISGVPVVDDYRRVVGIVTSEDIS----------------------------

General information: TITO was launched using: RESULT: Template: 3KPB.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 : 505 -66735 -132.15 -585.39 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -132.15 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.563

(partial model without unconserved sides chains): PDB file : Tito_3KPB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KPB-query.scw PDB file : Tito_Scwrl_3KPB.pdb: