Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNEQETIQEKAILVGCQLPHITDEHFENSMEELASLTKTADGKVLTSVTQKRNRADAATYIGKGKVEELKALVEELEADLLIFNDELSPSQLKSLATAIEVKMIDRTQLILDIFAKRARTREGKLQIELAQLQYALPRLTGQG-INLSRQGG----GIGARGPGETKLETDRRHIRNRIHEINTQLSTVIRHRSRYRERRKKNGVLQIALVGYTNAGKSTWFNRLTSAD-SYEEDLLFATLDPMTRKMVLPSGYSVLLSDTVGFIQDLPTTLIAA--FRSTLEEVKEADLILHLIDSSNEDYAGHEKTVLRLLEELEADDIPMLTAYNKRDQKLPDFIP----TAG-R-DHIMVSAKFEDDAAAFKEAIQRYLRQELLTSFEAHVPASEGKLLSRIKSETMVDRFYFNEENEQYDISGYVQEEQSIIGELKKYM 1XZP Chain:A ((143-403)) -------------------------------------------------------------------------------RAFLNGKMDLTSAEAVRDLI-----------------EAKSETS-LKLSLRNLKGGLRDFVDSLRRELIEVLAEIRVELDY--PDE--IETNTGEVVTRLERIKEKLTEELKKAD---AGILLNRGLRMVIVGKPNVGKSTLLNRLLNEDRAIVTDIPGTTRDVISEEIVIR-GILFRIVDTAGVRSET-NDLVERLGIERTLQEIEKADIVLFVLDASSPLDEEDR----KILERIK--NKRYLVVINKVDVVEKINEEEIKNKLGTDRHMVKISALKGEGLEKLEESIYRET-------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1XZP.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 : 936 -76258 -81.47 -308.73 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -81.47 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.390

(partial model without unconserved sides chains): PDB file : Tito_1XZP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XZP-query.scw PDB file : Tito_Scwrl_1XZP.pdb: