Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIELRDVSVCFKQKEKEIQAVDSVDLTIEKGDVYGIVGYSGAGKSTLVRVMNLLQKPTAGEVIVNQTNLSQLSPKELRKERKAIGMIFQHFNLMESRTIFDNVDFSLKYSGKSKQERRQKVNELLELVGLEEKASAYPKQLSGGQKQRVAIARALANEPKVLLCDEATSALDPKTTLQILALLKKLNRQLGLTIVLITHEMQVVKEICNKVAVMEDGRIVEKGSSIQIFSNPEEELTKDFIRTATHLD--QALETIIAHSAFADQIANKWLVELSYIGNQTNEPLIAHLYSKYQVTANILYGNVELLQETPLGSLIVTLAGETKQRKKALDYLIKSGVKINILQKNDLDSRIKVIEGGR 3TUZ Chain:G ((24-363)) MIKLSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKARRQIGMIFQHFNLLSSRTVFGNVALPLELDNTPKDEVKRRVTELLSLVGLGDKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELIEQDTVSEVFSHPKTPLAQKFIQSTLHLDIPEDYQERLQAEPFTDCVP---MLRLEFTGQSVDAPLLSETARRFNVNNNIISAQMDYAGGVKFGIMLTEMHGTQQDTQAAIAWLQEHHVKVEVL----------------

General information: TITO was launched using: RESULT: Template: 3TUZ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain G - contact count / total energy / energy per contact / energy per residue : 1731 -184441 -106.55 -545.68 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain G : 0.85 3D Compatibility (PKB) : -106.55 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.476

(partial model without unconserved sides chains): PDB file : Tito_3TUZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TUZ-query.scw PDB file : Tito_Scwrl_3TUZ.pdb: