Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALISMRQLLDHAAEHNYGVPAFNVNNLEQMRAIMLAADATNSPVIVQASAGARKYAGAPFLRHLILAAIEEWPHIPVVMHQDHGTSPDVCQRSIQLGFSSVMMDGSLGADGKTPTTYDYNVDVTRQVVAMAHACGVSVEGEIGCLGSLETGMAGEEDGVGAEGVLDHSQLLTSAEEAKQFVADTNVDALAIAVGTSHGAYKFTRPPTGDI-LAIDRIKEIHVALPNTHLVMHGSSSVPQEWLKVINEFGGNIGDTYGVPVEQLVEAIKHGVRKINIDTDLRLASTGAIRRFMAENPAEFDPRKYFAKTVDSMKQICIDRYEAFGTAGNADKIRPISLEKMVDRYK 2ISV Chain:A ((2-322)) -PLCTLRQMLGEARKHKYGVGAFNVNNMEQIQGIMKAVVQLKSPVILQCSRGALKYSDMIYLKKLCEAALEKHPDIPICIHLDHGDTLESVKMAIDLGFSSVMIDAS-------HHPFDENVRITKEVVAYAHARSVSVEAELG---------------------------LTEPQDAKKFVELTGVDALAVAIGTSHGA-----------RLAIDRVKTIS-DLTGIPLVMHGSSSVPKDVKDMINKYGGKMPDAVGVPIESIVHAIGEGVCKINVDSDSRMAMTGAIRKVFVEHPEKFDPRDYLGPGRDAITEMLIPKIKAFGSAGHAGDYKVVSLEEAKAWY-

General information: TITO was launched using: RESULT: Template: 2ISV.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 : 1764 -126379 -71.64 -425.52 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -71.64 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.577

(partial model without unconserved sides chains): PDB file : Tito_2ISV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ISV-query.scw PDB file : Tito_Scwrl_2ISV.pdb: