Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAAHELKEALETLKETGVRITPQRHAILEYLVN-SMAHPTADDIYKALEGKFPNMSVATVYNNLRVFRESGLVKELTYGDASSRFDFVTSDHY-HAICENCGKIVDFHYPGLDEVEQLAAHVTGFKVSHHRLEIYGVCQECSKKENH 2W57 Chain:A ((6-133)) ----------QALKDAGLKVTLPRLKILEVLQQPECQHISAEELYKKLIDLGEEIGLATVYRVLNQFDDAGIVTRHHFEGGKSVFELSTQHHHDHLVCLDCGEVIEFSDDVIEQRQKEIAAKYNVQLTNHSLYLYGKC---------

General information: TITO was launched using: RESULT: Template: 2W57.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 : 436 -65974 -151.32 -523.60 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -151.32 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.469

(partial model without unconserved sides chains): PDB file : Tito_2W57.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2W57-query.scw PDB file : Tito_Scwrl_2W57.pdb: