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

General information: TITO was launched using: RESULT: Template: 3BEC.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 -29221 -20.48 -122.78 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -20.48 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.632

(partial model without unconserved sides chains): PDB file : Tito_3BEC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BEC-query.scw PDB file : Tito_Scwrl_3BEC.pdb: