Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTTENQNPLVLDKNEEISQQKADDIRLQLRQEPEVKRLAQQIDVKNQMELLEYGKEPAVEISKFSDRILGMMKTTSVTDSGTMLTQLGKIMDRFDKNDFDEPKGLMAKIFKRGGSMIEKIFKKYQTLGGEIEKIHVEISKYKDEMTKTNYTLDEMYENNIKYYMELEKYVVAGQMKLEEMQSILPSYEEKAASGNQLAQMQLDTLRNGIQALEERVYDLDMARMVALQTAPQIRLLQRGNAKLIGKINSAFIITIPIFKNGIIQAVTVKRQKLVADSMSELDRRTNEMLKRNAENISSQSVEIARMAGRPSIDIETIESSWNTIVSGMQETKQIEEENKRLREDGARRIAQLQDNIKKAALQQ 2H7O Chain:A ((439-731)) ---------------RITPKKLRELSDLLRTHLSSAATKQ------------------------------LDMGGVLSDLDTMLVALDKAEREVDKDQLKSFNSLILKTYRVIEDYVKGNFMLS-IVEPSLQRIQKHLDQ--------------------THSFSDIGSLVRAHKHLETLLEVLVTLSQPV---SSETYGFLNRLAEAKITLSQQLNTLQQQQESAKAQLSILINRSGSWADVARQSLQRFDSTRPVVKFGTEQYTAIHRQMMAAHAAITLQEVSE--FTDDMRNFTVDSIPLLIQLGRSSL-----------------MDEHLVEQREKLRE-----LTTIAERLNRLEREW

General information: TITO was launched using: RESULT: Template: 2H7O.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 : 869 -67385 -77.54 -249.57 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -77.54 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.338

(partial model without unconserved sides chains): PDB file : Tito_2H7O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2H7O-query.scw PDB file : Tito_Scwrl_2H7O.pdb: