Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALISMRQLLDHAAEHNYGVPAFNVNNLEQMRAIMLAADATNSPVIVQASAGARKYAGAPFLRHLILAAIEEWPHIPVVMHQDHGTSPDVCQRSIQLGFSSVMMDGSLGADGKTPTTYDYNVDVTRQVVAMAHACGVSVEGEIGCLGSLETGMAGEEDGVGAEGVLDHSQLLTSAEEAKQFVADTNVDALAIAVGTSHGAYKFTRPPTGDI-LAIDRIKEIHVALPNTHLVMHGSSSVPQEWLKVINEFGGNIGDTYGVPVEQLVEAIKHGVRKINIDTDLRLASTGAIRRFMAENPAEFDPRKYFAKTVDSMKQICIDRYEAFGTAGNADKIRPISLEKMVDRYK 2ISV Chain:B ((2-322)) -PLCTLRQMLGEARKHKYGVGAFNVNNMEQIQGIMKAVVQLKSPVILQCSRGALKYSDMIYLKKLCEAALEKHPDIPICIHLDHGDTLESVKMAIDLGFSSVMIDAS-------HHPFDENVRITKEVVAYAHARSVSVEAELG----------------------QNTVQLTEPQDAKKFVELTGVDALAVAIGTSHGAYKF-------IRLAIDRVKTIS-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 B - contact count / total energy / energy per contact / energy per residue : 1830 -127938 -69.91 -418.10 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.84 3D Compatibility (PKB) : -69.91 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.598

(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: