Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTRKNAIAALLLLPSFSYAATVLSAPPELNNKSYVLMDYETGQILASKNENEKLAPASMTKMMTSYIIEQKLLKGELTENEQVRMNESAWCKGSSSESCMYVPLNGTATVLEMLRGIIIQSGNDASKAMAEHIAGNEGTFAHMMNQEAKRIGMTNTQFINSTGMPAEGHYSTAKDMAVLAQHIIKDSSKYYPIYSEKEFTFNGIKQGNRNALLYTDP-SVDGLKTGHTDEAGYCLTTSSKRGPMRLISVIFGTPSMSERADQTRALLAWGFANFETANVQPANQVLAKAKVWFGKENEVQVGLAENFNVTMPKGKADGIKTQLVVQPN-LNAPLQKGQVVGKLVASLDGKVIAEKPLVALKPVEEAGFFARLIDHIKQFFSNLF 1NJ4 Chain:A ((7-355)) --------------------TMIPGVPQIDAESYILIDYNSGKVLAEQNADVRRDPASLTKMMTSYVIGQAMKAGKFKETDLVTIGN-------KGSSLMFLKPGMQVPVSQLIRDINLQSGNDACVAMADFAAGSQDAFVGLMNSYVNALGLKNTHFQTVHGLDADGQYSSARDMALIGQALIRDVPNEYSIYKEKEFTFNGIRQLNRNGLLWDNSLNVDGIKTGHTDKAGYNLVASATEGQMRLISAVMGGRTFKGREAESKKLLTWGFRFFETVNPLKVGKEFASEPVWFGDSDRASLGVDKDVYLTIPRGRMKDLKASYVLNSSELHAPLQKNQVVGTINFQLDGKTIEQRPLVVLQEIPEG------------------

General information: TITO was launched using: RESULT: Template: 1NJ4.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 : 1910 -37012 -19.38 -109.83 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -19.38 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.527

(partial model without unconserved sides chains): PDB file : Tito_1NJ4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1NJ4-query.scw PDB file : Tito_Scwrl_1NJ4.pdb: