Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALISMRQLLDHAAEHNYGVPAFNVNNLEQMRAIMLAADATNSPVIVQASAGARKYAGAPFLRHLILAAIEEWPHIPVVMHQDHGTSPDVCQRSIQLGFSSVMMDGSLGADGKTPTTYDYNVDVTRQVVAMAHACGVSVEGEIGCLGSLETGMAGEEDGVGAEGVLDHSQLLTSAEEAKQFVADTNVDALAIAVGTSHGAYKFTRPPTGDILAIDRIKEIHVALPNTHLVMHGSSSVPQEWLKVINEFGGNIGDTYGVPVEQLVEAIKHGVRKINIDTDLRLASTGAIRRFMAENPAEFDPRKYFAKTVDSMKQICIDRYEAFGTAGNADKIRPISLEKMVDRYK 1GVF Chain:A ((2-281)) -SIISTKYLLQDAQANGYAVPAFNIHNAETIQAILEVCSEMRSPVILAGTPGTFKHIALEEI-YALCSAYSTTYNMPLALHLDHHESLDDIRRKVHAGVRSAMIDGS-------HFPFAENVKLVKSVVDFCHSQDCSVEAELGRLG---------------------SAFLTDPQEAKRFVELTGVDSLAVAIGTAHGLY--SKTPKIDFQRLAEIREV-VDVP---LVLHGASDVPDEFVR---------------------RTIELGVTKVNVATELKIAFAGAVKAWFAENPQGNDPRYYMRVGMDAMKEVVRNKINVCGSA-------------------

General information: TITO was launched using: RESULT: Template: 1GVF.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 : 1507 -173577 -115.18 -645.27 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -115.18 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.557

(partial model without unconserved sides chains): PDB file : Tito_1GVF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1GVF-query.scw PDB file : Tito_Scwrl_1GVF.pdb: