Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIQEQKWWKEAVGYQIYPASFKDSNGDGQGDINGIREKLNYLKDLGIGFIWINPIYQSPFVDNGYDVSDYQDIEERFGTMEDFDLLLKEAHELGIKVIMDLVINHSSDQHQWFEESKKSKESPYRDYYIWVDGVD-GKEPNNWTSIFGGSAWEYSHETGQYYLHVFAKEQPDLNWESEKLKEELFNMIRWWLDKGIDGFRLDAISHVKKDEYSVKATE------NPFSPFQNVSGIEEHLTDLKHVFE-EYDIMTVGEASGVTAEEGPQWVGK-DGYFDMIFEFDHIHIWQQE-----KE--GQLDVLKLKLALSAWQTSLDGIGWNALYMENHDVPRAVSVFGDTRPDFWAMSAKAIAMMYFFLQGTPFIYQGQEIGMTNMPFESIDQVDAVDSKRLYKRL--LAEGKTREEALDIIRETTRDNSRTPMQWTSEQYAGFSTHEPWLITNPNTKTINVEQQEYEPESVLQFYKNMIRIRQTNKGLIYGSYKEYLHEHPQLYVYERYLEDEQYLIMVNLTESLADYELPKEA-DQSWTLLLSNSSSGEFEAKGILAPYEARLYKTNK 4MB1 Chain:A ((3-559)) -----EWWKEAVVYQIYPRSFYDANGDGFGDLQGVIQKLDYIKNLGADVIWLSPVFDSPQDDNGYDISDYKNMYEKFGTNEDMFQLIDEVHKRGMKIVMDLVVNHTSDEHAWFAESRKSKDNPYRDYYLWKDPKPDGSEPNNWGSIFSGSAWTYDEGTGQYYLHYFSKKQPDLNWENEAVRREVYDVMRFWMDRGVDGWRMDVIPSISKYTDFPDYETDHSRSYIVGRYHSNGPRLHEFIQEMNREVLSHYDCMTVGEANGSDIEEAKKYTDASRQELNMIFTFEHMDIDKEQNSPNGKWQIKPFDLIALKKTMTRWQTGLMNVGWNTLYFENHDQPRVISRWGND-RKLRKECAKAFATVLHGMKGTPFIYQGEEIGMVNSDM-PLEMYDDLEIKNAYRELVVENKTMSEKEFVKAVMIKGRDHARTPMQWDAGKHAGFTAGDPWIPVNSRYQDINVKESLEDQDSIFFYYQKLIQLRKQYKIMIYGDYQLLQENDPQVFSYLREYRGEKLLVVVNLSEEKALFEAPPELIHERWKVLISNYPQ-ADLKSISLKPYEAVMGI---

General information: TITO was launched using: RESULT: Template: 4MB1.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 : 3106 48539 15.63 90.56 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : 15.63 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.515

(partial model without unconserved sides chains): PDB file : Tito_4MB1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4MB1-query.scw PDB file : Tito_Scwrl_4MB1.pdb: