Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKLLAAGIIGLLTVSIASPSFAAEKQADTNVAVLFDGSGSMVQKTGGERKIDIAKKSVKSFAELLP---KDTNLMLRVFGHAGNNKLSGKALSCSTTETIYGLHPY-EGSLFDNSLSELK--PTGWTPIAKALADTRKEFEAF----DADGKNVVYLITDGEETCGGDPAAEIEKLRASNVDTIVNIIGFNFDVK--------GNEEMKQAAVAGGGEY-ISANSADEFEQAWEKEAQKFTE 4BJ3 Chain:A ((23-205)) ----------------------------LIDVVVVCDESNSIYP-------WDAVKNFLEKFVQGLDIGPTKTQVGLIQYANNP--------------RVVFNLNTYKTKEEMIVATSQTSQYGGDLTNTFGAIQYARKYAYSAASGGRRSATKVMVVVTDGESHDGSMLKAVIDQCNHDN--ILRFGIAVLGYLNRNALDTKNLIKEIKAIASIPTERYFFNVSDWAALLEKA---------

General information: TITO was launched using: RESULT: Template: 4BJ3.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 : 813 -13070 -16.08 -79.69 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -16.08 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.584

(partial model without unconserved sides chains): PDB file : Tito_4BJ3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BJ3-query.scw PDB file : Tito_Scwrl_4BJ3.pdb: