Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALISMRQLLDHAAEHNYGVPAFNVNNLEQMRAIMLAADATNSPVIVQASAGARKYAGAPFLRHLILAAIEEWPHIPVVMHQDHGTSPDVCQRSIQLGFSSVMMDGSLGADGKTPTTYDYNVDVTRQVVAMAHACGVSVEGEIGCLGSLETGMAGEEDGVGAEGVLDHSQLLTSAEEAKQFVADTNVDALAIAVGTSHGAYKFTRPPTGDILAIDRIKEIHVALPNTHLVMHGSSSVPQEWLKVINEFGGNIGDTYGVPVEQLVEAIKHGVRKINIDTDLRLASTGAIRRFMAENPAEFDPRKYFAKTVDSMKQICIDRYEAFGTAGNADKIRPISLEKMVDRYK 5U7S Chain:A ((9-353)) MALISMRQLLDHAAEHNYGVPAFNVNNLEQMRAIMLAADATNSPVIVQASAG------APFLRHLILAAIEEWPHIPVVMHQDHGTSPDVCQRSIQLGFSSVMMDGSLGADGKTPTTYDYNVDVTRQVVAMAHACGVSVEGEIGCLGSLET-------------VLDHSQLLTSVEEAKQFVADTNVDALAIAVGTSHGAYKFTRPPTGDILAIDRIKEIHAALPNTHLVMHGSSSVPQEWLKVINEFGGNIGETYGVPVEQLVEAIKHGVRKINIDTDLRLASTGAIRRFMAENPAEFDPRKYFAKTVDSMKQICIDRYEAFGTAGNADKIRPISLEKMVDRYK

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 A - contact count / total energy / energy per contact / energy per residue : 1880 -183699 -97.71 -563.49 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.97 3D Compatibility (PKB) : -97.71 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.97 QMean score : 0.611

(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: