Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDDMLTTEDFDFDLPEELIAQTPLKDRDHSRLLVLDRKTG-EMEDKHFHEIIEELQPGDALVMNNTRVLPARLYGEKPDTGAHLEVLLLTNTQGDTWETLIKPAKRAKVGTRISFGDGR-------LQAVVKEELEHGGRIIDFEYEGIFLEILESLGEMPLPPYIKERLEDPDRYQTVYAKENGSAAAPTAGLHFTKELLDEIEAKGVELVYLTLHVGLGTFRPVSVDKIEEHHMHSEFYRLTEEAAERLNQVRKNGGKIVAVGTTSIRTLETIGTKFNGEIKADSGWTDIFITPGYEFKVVEAFSTNFHLPKSTLVMLVSAFAGRELTLSAYQHAIEERYRFFSFGDAMFVK 1WDI Chain:A ((5-344)) --------EAYDYHLPPEQIAQEGVEPRDMARLMVVYREGPFRVAHKRVRDLPEFLRPGDVLVFNESKVIPARLLARKP-TGGKVEILLVRER------ALLGPARKAPPGTRLLLLSPKDLAPVPGLQAEVVAVEED------------LVAHLEEVGEVP--------------------------AAPTAGLHFTPELLERLREMGVELRFLTLHVGPGTFRP----------MHAEPYAIPEEVAEAVNRAKAEGRRVVAVGTTVVRALESAYREGVG-VVAGEGETRLFIRPPYTFKVVDALFTNFHLPRSTLLMLVAAFLGRERTLEAYRLAVAEGYRFYSLGDAMLI-

General information: TITO was launched using: RESULT: Template: 1WDI.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 : 1371 -15747 -11.49 -55.84 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -11.49 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.484

(partial model without unconserved sides chains): PDB file : Tito_1WDI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1WDI-query.scw PDB file : Tito_Scwrl_1WDI.pdb: