Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLQNLDSLYQSLSKTEERLEEIIQQEIKLKDYQVEVDSAMSRMNKSYQNLYSERSSSSREIFSDITGIEATIQPNRDFNNYVKELRACINKEDTFDSEFGSLIDKLTKNSITNQDIYNDILDIRVSGESSIFSDKKLINSIRKLNDAQVLELQTLKPNDLVVIRLELNGKKVSLSNASAGQKTSAILSMILAYGNSPLILDQPEDDLDSQLINNLIVRSIITKKENRQILIVTHNANIPVNGDSEWLISMGDSKEISADQCGSVDEPNIKPRICTVMEGGEDAFTNRAKRYGFKQIVE 3NH6 Chain:A ((186-274)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------ERGLKLSGGEKQRVAIARTILKAPGIILLDEATSALDTSNER-AIQASLAKVCANRTTIVVAHRLSTV--VNADQILVIKDG-C--IVERGRHEA--------------------------------

General information: TITO was launched using: RESULT: Template: 3NH6.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 : 221 -14245 -64.46 -160.06 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -64.46 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.380

(partial model without unconserved sides chains): PDB file : Tito_3NH6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NH6-query.scw PDB file : Tito_Scwrl_3NH6.pdb: