Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNMMNNKQGCVLGILSCIVVLPTDLWAAQPMNESALATQTGAVTAALPVIIAKAQDDAKKPEIEQRQVRQTLGDNYLQQVRWNSLRTSVLSPYQEQKQNQVIDGKEKKKLEMVALPERADRFTRYDFESKNVHGEVIITVK 3B53 Chain:X ((570-601)) --------------------LPVVASAAEAMHEKAVAIGTWAVTIGLPTHIG-----------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3B53.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain X - contact count / total energy / energy per contact / energy per residue : 72 -11425 -158.67 -357.02 target 2D structure prediction score : 0.31 Monomeric hydrophicity matching model chain X : 0.62 3D Compatibility (PKB) : -158.67 2D Compatibility (Sec. Struct. Predict.) : 0.31 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.552

(partial model without unconserved sides chains): PDB file : Tito_3B53.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3B53-query.scw PDB file : Tito_Scwrl_3B53.pdb: