Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLQNLDSLYQSLSKTEERLEEIIQQEIKLKDYQVEVDSAMSRMNKSYQNLYSERSSSSREIFSDITGIEATIQPNRDFNNYVKELRACINKEDTFDSEFGSLIDKLTKNSITNQDIYNDILDIRVSGESSIFSDKKLINSIRKLNDAQVLELQTLKPNDLVVIRLELNGKKVSLSNASAGQKTSAILSMILAYGNSPLILDQPEDDLD--SQLINNLIVRSIITKKENRQILIVTHNANIPVNGDSEWLISMGDSKEISADQCGSVDEPNIKPRICTVMEGGEDAFTNRAKRYGFKQIVE 4ZIR Chain:B ((140-225)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NLSGGQKQRLAIASMLARDTRFLALDEPVSMLDPPSQREIFQVLESL--KNEGKGIILVTHELEYLDDMDFILHISNG-----TIDFCGSWEE--------------------------------

General information: TITO was launched using: RESULT: Template: 4ZIR.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 235 -1800 -7.66 -21.43 target 2D structure prediction score : 0.79 Monomeric hydrophicity matching model chain B : 0.60 3D Compatibility (PKB) : -7.66 2D Compatibility (Sec. Struct. Predict.) : 0.79 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.378

(partial model without unconserved sides chains): PDB file : Tito_4ZIR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ZIR-query.scw PDB file : Tito_Scwrl_4ZIR.pdb: