Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIELRDVSVCFKQKEKEIQAVDSVDLTIEKGDVYGIVGYSGAGKSTLVRVMNLLQKPTAGEVIVNQTNLSQLSPKELRKERKAIGMIFQHFNLMESRTIFDNVDFSLKYSGKSKQERRQKVNELLELVGLEEKASAYPKQLSGGQKQRVAIARALANEPKVLLCDEATSALDPKTTLQILALLKKLNRQLGLTIVLITHEMQVVKEICNKVAVMEDGRIVEKGSSIQIFSNPEEELTKDFIRTATHLD--QALETIIAHSAFADQIANKWLVELSYIGNQTNEPLIAHLYSKYQVTANILYGNVELLQETPLGSLIVTLAGETKQRKKALDYLIKSGVKINILQKNDLDSRIKVIEGGR 3TUZ Chain:H ((24-362)) MIKLSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKARRQIGMIFQHFNLLSSRTVFGNVALPLELDNTPKDEVKRRVTELLSLVGLGDKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELIEQDTVSEVFSHPKTPLAQKFIQSTLHLDIPEDYQERLQAEPFTDCVP---MLRLEFTGQSVDAPLLSETARRFNVNNNIISAQMDYAGGVKFGIMLTEMHGTQQDTQAAIAWLQEHHVKVEV-----------------

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 H - contact count / total energy / energy per contact / energy per residue : 1646 -185103 -112.46 -549.27 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain H : 0.85 3D Compatibility (PKB) : -112.46 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.484

(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: