Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNISYELEKKI----VNLNAL----------------YNEEEAELS---------LRLSQNIRKNQ---QDGYVYSL-ISRGFEIKGLKLWLVDKNIDQLKQWFYVSSVLRAESCKYSSGYTLSTPDEFIFPLLSDNTEIINKFAYLDTVNLLWGEFEPSYQEAK---FKPSKDDPRFRTHALQAVLRNDWEDYKKIKEVANQKINKLREVVQFEFGIYDAIYEKDKDKIIEIVQT-LLNPRVHKTYNKDFGEEFNGEIWSHHPVMFTKLAWMNGLEIEIDNPLVPMELMPIKPLEHYDYHYDFLDP-------------NWKPKSLFEKLFGKKRNK--- 5AHR Chain:A ((1-343)) -SMTCPFYKKIPGTGFTVDAFQYGVVEGCTAYFLTHFHSDHYAGLSKHFTFPVYCSEITGNLLKNKLHVQEQYIHPLPLDTECIVNGVKVVLLDAN--HCPGAVMILFYLPNGTVILHTG-DFRADPSMERSLLADQK--VH-MLYLDTTYCSPEYTFPSQQEVIRFAINTAFEAVTLNPHALVVCGTYSIGKEKVFLAIADV----LGSKVGMSQEKYKTLQCLNIPEINSLITTDMCSSLVHLLPMMQINFKGLQSHLKKCGGKYNQILAFRPTVIPQTKGNISIYGIPYSEHSSYLEMKRFVQWLKPQKIIPTVNVGTWKSRSTMEKYFREWKLEAGY

General information: TITO was launched using: RESULT: Template: 5AHR.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 : 1350 27770 20.57 100.25 target 2D structure prediction score : 0.35 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 20.57 2D Compatibility (Sec. Struct. Predict.) : 0.35 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.137

(partial model without unconserved sides chains): PDB file : Tito_5AHR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5AHR-query.scw PDB file : Tito_Scwrl_5AHR.pdb: