Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNTPTQLEPNVPVTRSHSMGFVILISCAAGLGGLLYGYDTAVISGAIGFLKDLYS---LSPFMEGLVISSIM-----------IGGVVGVGISGFLSDRFGRRKILMTAALLFAISAIV---SALSQDVSTLIIARIIGGLGIGMGSSLSVTYITEAAPPAIRGSLSSLYQLFTILGISATYFINLAVQRSGTYE-WGVHTGWRWMLAYGMVPSVIFFLVLLVVPESPRWLA-KAGKTNEALKILTRINGE---TVAKEELKNIENSLKIEQMGSLSQLFK-PGLRKALVIGILLALFNQVIGMNAITYYGPEIFKMMGFGQNAGFVTTCIVGVVEVIFTVIAVLLIDKVGRKKLMSIGSAFMAIFMIL--IGTSFYFELT-SGIMMIVLILGFVAAFCVSVGPITWIMISEIFPNHLRARAAGIATIFLWGANWAIG---QFVPMMIDSFGLAYTFWIFAVINILCFLFVVTICPETKNKSLEEIEKLWIK 4PYP Chain:A ((10-455)) --------------------GRLMLAVGGAVLGSLQFGYNTGVINAPQKVIEEFYTQTWVHRYGESILPTTLTTLWSLSVAIFSVGGMIGSFSVGLFVNRFGRRNSMLMMNLLAFVSAVLMGFSKLGKSFEMLILGRFIIGVYCGLTTGFVPMYVGEVSPTALRGALGTLHQLGIVVGI-------LIAQVFGLDSIMGNKDLWPLLLSIIFIPALLQCIVLPFCPESPRFLLINRNEENRAKSVLKKLRGTADVTHDLQEMKEESRQMMREKKVTILELFRSPAYRQPILIAVVLQLSQQLSGINAVFYYSTSIFEKAGVQQPV--YATIGSGIVNTAFTVVSLFVVQRAGRRTLHLIGLAGMAGCAILMTIALALLEQLPWMSYLSIVAIFGFVAFFEVGPGPIPWFIVAELFSQGPRPAAIAVAGFSNWTSNFIVGMCFQYVEQLCG----PYVFIIFTVLLVLFFIFTYFKVPET--------------

General information: TITO was launched using: RESULT: Template: 4PYP.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 : 2090 -216202 -103.45 -518.47 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -103.45 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.380

(partial model without unconserved sides chains): PDB file : Tito_4PYP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PYP-query.scw PDB file : Tito_Scwrl_4PYP.pdb: