Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKVDLFDFELPERLIAQVPLEQRDASRLMVLDKHTGELTDSSFKHIISFFNEGDCLVLNNTRVLPARLFGTKEDTGAKVELLLLKQETGDKWETLAKPAKRVKKGTVVTFGDGRLKAICTEELEHGGRKMEFQYDGIFYEVLESLGEMPLPPYIKEQLDDKERYQTVYSKEIGSAAAPTAGLHFTEEILQQLKDKGVQIEFITLHVGLGTFRPVSADEVEEHNMHAEFYQMSEETAAALNKVRENGGRIISVGTTSTRTLETIAGEHDGQFKASSGWTSIFIYPGYEFKAIDGMITNFHLPKSSLIMLVSALAGRENILRAYNHAVEEEYRFFSFGDAMLII 4YLM Chain:X ((245-265)) ------------------------------------------------RWRSDDLVIADNLTLLHGREA---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4YLM.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain X - contact count / total energy / energy per contact / energy per residue : 7 -1581 -225.79 -75.26 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain X : 0.52 3D Compatibility (PKB) : -225.79 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.52 QMean score : 0.744

(partial model without unconserved sides chains): PDB file : Tito_4YLM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YLM-query.scw PDB file : Tito_Scwrl_4YLM.pdb: