Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MWKMDNQLTKELKENYNIVFHDLNLLEQAFTHSSYVNEHRNLQLSDNERLEFLGDAVLELMVSQYLFRLYPHLPEGKLTKTRAAIVREDSLSKFAKECHFDQYVLLGKGEENSGGRTRPALLCDLFEAFLGALYLDQGFDT--THAFIEKVIFPKVKAG--AFSHEMDHKTKLQEVLQKSGDVSIEYRLINEEGPAHERVFWIEVYVDDQLIGTGQGKSKKLAEQAAAENALAAL 2NUG Chain:B ((3-217)) -------MLEQLEKKLGYTFKDKSLLEKALTHVSYSK------KEHYETLEFLGDALVNFFIVDLLVQYSPNKREGFLSPLKAYLISEEFFNLLAQKLELHKFIRIKRGK------INETIIGDVFEALWAAVYIDSGRDANFTRELFYKLFKEDILSAIKEGRVKKDYKTILQEITQKRWKERPEYRLISVEGPHHKKKFIVEAKIKE-YRTLGEGKSKKEAEQRAAEELIKLL

General information: TITO was launched using: RESULT: Template: 2NUG.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 : 849 -42867 -50.49 -203.16 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain B : 0.79 3D Compatibility (PKB) : -50.49 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.459

(partial model without unconserved sides chains): PDB file : Tito_2NUG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2NUG-query.scw PDB file : Tito_Scwrl_2NUG.pdb: