Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MARGLALILFSLLMVFGSAAHAEDDPIAALIQLNKQMIKSVKDGDMDSAQQTFDTFKAKWKKEEPSIKKENLSSHSEMDANIAMISLSFIN----QDARKLKTQLEELASHLETYQQAVVLKKT-----SSG--QSRASLTAYIQSLKDTKQFIEKKQLDEASSAIDNLVTSWLAVEGDVVSQSKEAYTTSEENLALMKAEIGSHPEKVSKQIDEMIQLLEPIASSSYSWWDAALIPVREGMEALLVIGALLTMTKKARVTRSSTWIWGGASAGMAVSLAAGIGVTVLFSSSVFGENNFLLGGVTGVLSAVMLLYVGVWLHRNASMDKWREKINIQKSQALKKRSLLSFALIAFLAVVREGLETVIFFIGLVGKLPLTELIGGTAAGLIVLVIVGVLMIKLGMRIPLKPFFLLSMAVVLYMCVKFLGTGVHSLQLAGILPSDAESWLPSVSVLGIYPSVYSTIPQMLILLFLLIALVSEAAKHFTNGKELTK 4OR2 Chain:A ((5-105)) ----------------------------------------------------------------------------DLEDNWETLNDNLKVIEKADNAAQVKDALTKMRAAALDAQKATPPKLEDKSPDSPEMKDFRHGFDILVGQIDDALKLANEGKVKEAQAAAEQL-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4OR2.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 : 208 13259 63.74 161.69 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.47 3D Compatibility (PKB) : 63.74 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.47 QMean score : 0.543

(partial model without unconserved sides chains): PDB file : Tito_4OR2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4OR2-query.scw PDB file : Tito_Scwrl_4OR2.pdb: