Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKTKLTGRIVTRDDPDYNEA-RTNINLSLERYPDIIVFCQNKQDALNALKWARENRVPFRIRGGRHSYENFSLL-NNGLVIDLSEMKKITVNQDKKLAYIEAGAELGEVYRTLW-QYGLTLPAGTIANVGLTGLTLGGGIGLLTRAAGLTCDSLVQLEMI--VADEKEGADLITVS-----CSNHPDLFWASQGGGGGNFGIVTSMTFKAVPISQVS-------------IFSITWGWD-----DFEEVYNTWQNWAPYT----DD--RLTSSIEFWPKEVNRIEALGQFVGPKTELKKLLKPLLKAGSP---T--SGMVKTTPFIEAVTFFNSPGGNQPQKMKRSGSFIEKPLSERAISTIKHFLEHAPNQNASVWQQALGGAAGRVAPDQTAFYYRDAIIAQEYLTNWTSPGEKRQNVRWIEGLRTSLSKE----------TMGDYVNWPDIEIR---------NWPRTYYGENVERLRRVKTTYDPENVFRFEQSIPPLRRSLFF 2IPI Chain:A ((29-520)) ------ALVKVDRVDRRYQDLVTRGFNGRFRGRPDVVYVVHTADQVVDAVNQAMAAGQRIAVRSGGHCFEGFVDDPAVRAVIDMSQMRQVFYDSGKRAFAVEPGATLGETYRALYLDWGVTIPAGVCPQVGVGGHVLGGGYGPLSRRDGVVADHLYAVEVVVVDASGR----ARKVVATSAADDPNRELWWAHTGGGGGNFGIVTRYWFRTPGATGTDPSQLLPKAPTSTLRHIVTWDWSALTEEAFTRIIDNHGAWHQSNSAAGTPYASMHSVFYLNSRAAGQILLDIQIDGGLDGAEALLNDFVAAVNEGTGVEPAVQRSTEPWLRATLANKFDT-GGFDRTKSKGAYLRKPWTAAQAATLYRHLSADSQVWGEVSLYSYGGKVNSVPETATATAQRDSIIKVWMSATWMDPAHDDANLAWIREIYREIFATTGGVPVPDDRTEGTFINYPDVDLVDERWNTSGVPWYTLYYKGNYPRLQKVKARWDPRDVFRHALSVRPP------

General information: TITO was launched using: RESULT: Template: 2IPI.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 : 2439 -192392 -78.88 -443.30 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -78.88 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.427

(partial model without unconserved sides chains): PDB file : Tito_2IPI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2IPI-query.scw PDB file : Tito_Scwrl_2IPI.pdb: