Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLQNLDSLYQSLSKTEERLEEIIQQEIKLKDYQVEVDSAMSRMNKSYQNLYSERSSSSREIFSDITGIEATIQPNRDFNNYVKELRACINKEDTFDSEFGSLIDKLTKNSITNQDIYNDILDIRVSGESSIFSDKKLINSIRKLNDAQVLELQTLKPNDLVVIRLELNGKKVSLSNASAGQKTSAILSMILAYGNSPLILDQPEDDLDSQLINNLIVRSIITKKE-NRQILIVTHNANI-PVNGDSEW------LISMGDSKEISADQCGSVDEPNIK-PRICTVMEGGEDAFTNRAKRYGFKQIVE 3GFO Chain:A ((145-253)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SFGQKKRVAIAGVLVMEPKVLILDEPTAGLDPMGVSEIMKLLVEMQKELGITIIIATHDIDIVPLYCDNVFVMKEGRVILQGNPKEVFAEK-EVIRKVNLRLPRIGHLME--------------------

General information: TITO was launched using: RESULT: Template: 3GFO.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 : 280 -17816 -63.63 -178.16 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -63.63 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.232

(partial model without unconserved sides chains): PDB file : Tito_3GFO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GFO-query.scw PDB file : Tito_Scwrl_3GFO.pdb: