Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKVIQELKEREVGKVLANEPLANHTTMKIGGPADVLVIPSSVDAVKDIMDVIKKYDVKWTVIGRGSNLLVLDEGIRGVVIKLGAGLDHLELEGEQVTVGGGYSVVRLATSLSKKGLSGLEFAAGIPGSVGGAVYMNAGAHGSDMSEILVKAHILFEDGTIEWLTNEQMDFSYRTSVLQKKRPGVCLEAVLQLEQKDKESIVQQMQSNKDYRKNTQPYSSPCAGSIFRNPLPNHAGNLVEKAGLKGYQIGGAKISEMHGNFIVNAGGASAKDVLDLIDHVKKTIREKYEIDMHTEVEIIGGNR 3TX1 Chain:A ((33-321)) -----------PHIAIKLNEPLSKYTYTKTGGAADVFVMPKTIEEAQEVVAYCHQNKIPLTILGNGSNLIIKDGGIRGVILHLDL-LQTIERNNTQIVAMSGAKLIDTAKFALNESLSGLEFACGIPGSIGGALHMNAGAYGGEISDVLEAATVLTQTGELKKLKRSELK--YR-STIAE-KNYIVLDATFSLALEEKNLIQAKMDELTAAREAKQPLEYPSCGSVFKRPPGHFAGKLIQDSGLQGHIIGGAQVSLKHAGFIVNIGGATATDYMNLIAYVQQTVREKFDVELETEVKIIGED-

General information: TITO was launched using: RESULT: Template: 3TX1.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 : 1623 -183914 -113.32 -643.06 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -113.32 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.573

(partial model without unconserved sides chains): PDB file : Tito_3TX1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TX1-query.scw PDB file : Tito_Scwrl_3TX1.pdb: