Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------------------MKTVGNDLVRNQLHADRKWYLILGFVLIIFGLVLFSSLPFATFSVVFLFGILMMVGGVL---HLIAALSVFKGGSRWLWALFGVLYLM-----AGYYAFSTPVTTA-VVLTSLLSIALIIAGVIRTINAFLLRPIAGWGWTLFSGLLTLAT-GILILVSKDSPFWVLGMFLAVDILFQGINFLGLASAIKHLPSSSKTVS------------------------------------- 2H7O Chain:A ((439-731)) RITPKKLRELSDLLRTHLSSAATKQLDMGGVLSDLDTMLVALDKAEREVDKDQLKSFN-SLILKTYRVIEDYVKGNFMLSIVEPSLQRIQKHLDQTHSFSDIGSLVRAHKHLETLLEVLVTLSQPVSSETYGFLNRLAEAKITLSQQLNTLQQQQESAKAQLSILINRSGSWADVARQSLQRFDSTRPVVKFGTEQYTAIHRQMMAAHAAITLQEVSEFTDDMRNFTVDSIPLLIQLGRSSLMDEHLVEQREKLRELTTIAERLNRLEREW

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 : 509 -50414 -99.05 -266.74 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -99.05 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.171

(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: