Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHTVTQTSLYGKDLLTLKDLSEEDINALLAEAGELKQNKI----QPIFHGKTLAMIFEKSSTRTRVSFEAGMAQLGGSALFLSQKDLQLGRGETVADTAKVLSGYVDAIMIRTFEHEKVEELAKEADIPVINGLTDKYHPCQALADLLTIKE-IKGK-LKGVKVAYIGDG-NNVAHSLMIGCAKMGCDISIASPKGYEVLDEAAEAAKTYALQSGSSVTLTDDPIEAVKDADVIYSDVFTSMGQEAEEQ-ERLAVFAPYQVNAALVSH-AKPDYTFLHCLPA-HREE----------------EVTAEIIDGPNSAVFQQAENRLHVQKALLKAILYKGESSKNC 4H31 Chain:B ((28-356)) -------NLRNRNFLKLLDFSTKEIQFLIDLSADLKKAKYAGTEQKKLLGKNIALIFEKASTRTRCAFEVAAFDQGAQVTYIGPSGSQIGDKESMKDTARVLGRMYDGIQYRGFGQAIVEELGAFAGVPVWNGLTDEFHPTQILADFLTMLEHSQGKALADIQFAYLGDARNNVGNSLMVGAAKMGMDIRLVGPQAYWPDEELVAACQAIAKQTGGKITLTENVAEGVQGCDFLYTDVWVSMGESPEAWDERVALMKPYQVNMNVLKQTGNPNVKFMHCLPAFHNDETTIGKQVADKFGMKGLEVTEEVFESEHSIVFDEAENRMHTIKAVMVATL---------

General information: TITO was launched using: RESULT: Template: 4H31.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 : 1789 -174851 -97.74 -577.06 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : -97.74 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.539

(partial model without unconserved sides chains): PDB file : Tito_4H31.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4H31-query.scw PDB file : Tito_Scwrl_4H31.pdb: