Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDDMLTTEDFDFDLPEELIAQTPLKDRDHSRLLVLDRKTGEMEDKHFHEIIEELQPGDALVMNNTRVLPARLYGEKPDTGAHLEVLLLTNTQGDTWETLIKPAKRAKVGTRISFGDGRLQAVVKEELEHGGRIIDFEYEGIFLEILESLGEMPLPPYIKERLEDPDRYQTVYAKENGSAAAPTAGLHFTKELLDEIEAKGVELVYLTLHVGLGTFRPVSVDKIEEHHMHSEFYRLTEEAAERLNQVRKNGGKIVAVGTTSIRTLETIGTKFNGEIKADSGWTDIFITPGYEFKVVEAFSTNFHLPKSTLVMLVSAFAGRELTLSAYQHAIEERYRFFSFGDAMFVK 1YY3 Chain:A ((6-341)) ----------FDFELPERLIAQVPLEQRDASRLMVLDKHTGELTDSSFKHIISFFNEGDCLVLNNTRVLPARLFGTKEDTGAKVELLLLKQETGDKWETLAKPAKRVKKGTVVTFGDGRLKAICTEELEHGGRKMEFQYDGIFYEVLESLGEMPLPPYIKEQLDDKE------------AAAPTAGLHFTEEILQQLKDKGVQIEFITLHVGLGTFR-----------MHAEFYQMSEETAAALNKVRENGGRIISVGTTSTRTLETIAGEHDGQFKASSGWTSIFIYPGYEFKAIDGMITNFHLPKSSLIMLVSALAGRENILRAYNHAVEEEYRFFSFGDAMLI-

General information: TITO was launched using: RESULT: Template: 1YY3.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 : 1660 -183311 -110.43 -585.66 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.90 3D Compatibility (PKB) : -110.43 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.90 QMean score : 0.504

(partial model without unconserved sides chains): PDB file : Tito_1YY3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1YY3-query.scw PDB file : Tito_Scwrl_1YY3.pdb: