Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKFFLSLFTLFSIFCTTLTNAALLNIAPESVEAAAWTIVDTQSGQIIAEHNSHVQRAPASLTKMMVAYIALKEIKAGKLKLNEVIT--------ATPVVSVVQWDESQMYLKAGEQISVDQLLAGLIVMSANDAAVTLAEKISGDVPHFVQRMNQEAQALGMKDTHFSNPAGITMPDHYTTAHDLSLLSQAVIHQTPEYLHYSKMPSFSYNQRFHHATNLALKYDPS--VDGLKTGYTQAAGYNLALTASRPSFSPNLPQRRLLVIVLGTPSAVKRAEIADKLMNLAYAYTRDEVVIPEQKLIAELPVIKSTLKMFKVETKQPTIVTTSLYAEPTPIDLNTFDYATQRIQVLDSNQQPKVIAPLETTQTRVNIQLNEQKLTAPLMKAMNLATVSIYQNNQLIRSLQIENDVHIEEANIFQRIMMWFSNLFSIFSSSEHSAAKLYPIDSH 3BEB Chain:A ((15-262)) ------------------------------IDAESYILIDYNSGKVLAEQNADVRRDPASLTKMMTSYVIGQAMKAGKFKETDLVTIGNDAWATGNPVFK----GSSLMFLKPGMQVPVSQLIRGINLQSGNDACVAMADFAAGSQDAFVGLMNSYVNALGLKNTHFQTVHGLDADGQYSSARDMALIGQALIRDVPNEYSIYKEKEFTFNG-IRQLNRNGLLWDNSLNVDGIKTGHTDKAGYNLVASATE-------GQMRLISAVMGGRTFKGREAESKKLLTWGFRF---------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3BEB.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 : 1427 -24689 -17.30 -103.73 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -17.30 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.651

(partial model without unconserved sides chains): PDB file : Tito_3BEB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BEB-query.scw PDB file : Tito_Scwrl_3BEB.pdb: