Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALISMRQLLDHAAEHNYGVPAFNVNNLEQMRAIMLAADATNSPVIVQASAGARKYAGAPFLRHLILAAIEEWPHIPVVMHQDHGTSPDVCQRSIQLGFSSVMMDGSLGADGKTPTTYDYNVDVTRQVVAMAHACGVSVEGEIGCLGSLETGMAGEEDGVGAEGVLDHSQLLTSAEEAKQFVADTNVDALAIAVGTSHGAYKFTRPPTGDILAIDRIKEIHVALPNTHLVMHGSSSVPQEWLKVINEFGGNIGDTYGVPVEQLVEAIKHGVRKINIDTDLRLASTGAIRRFMAENPAEFDPRKYFAKTVDSMKQICIDRYEAFGTAGNADKIRPISLEKMVDRYK 5U7S Chain:B ((9-353)) MALISMRQLLDHAAEHNYGVPAFNVNNLEQMRAIMLAADATNSPVIVQASAGARKYAGAPFLRHLILAAIEEWPHIPVVMHQDHGTSPDVCQRSIQLGFSSVMMDGSLGADGKTPTTYDYNVDVTRQVVAMAHACGVSVEGEIGC------------------------QLLTSVEEAKQFVADTNVDALAIAVGTSHGAYKFTRPPTGDILAIDRIKEIHAALPNTHLVMHGSSSVPQEWLKVINEFGGNIGETYGVPVEQLVEAIKHGVRKINIDTDLRLASTGAIRRFMAENPAEFDPRKYFAKTVDSMKQICIDRYEAFGTAGNADKIRPISLEKMVDRYK

General information: TITO was launched using: RESULT: Template: 5U7S.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1822 -169453 -93.00 -527.89 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain B : 0.96 3D Compatibility (PKB) : -93.00 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.96 QMean score : 0.634

(partial model without unconserved sides chains): PDB file : Tito_5U7S.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5U7S-query.scw PDB file : Tito_Scwrl_5U7S.pdb: