Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALTEYKIKVVDANNQPLLNFPMATRYVGSDKKNNKLTSDTDGVLTFQSDGRAVEVFVLAPIDKNGQPDMTKFKEDNDNDNAYYRITTINVSRNVPSSIKSPYLLTDYGIAKTKFIFYENEQDKKIYSVPLTVKVSYLVGETKTSPKFIEAIQEVKNGELNITSILHSRIQVHPFKPDNTPFKTPQGYTPRSTTPITLPVYFDIKSNNATTEPDEPSIDQPVKKVLCTCNRDITEAEFKLITKNKIAVTFLNALNEQFKKLNMN-----ICLEKAHFIAQTLHETASYTLLEEGLKPGV--------QEKDVYDGYKGRGLMQITYKKNYEAYGKAVGENFLGENKHRVAKEKKHAVGSAIWYWNHSKAGNLSIYA--IKNDLIATTSLINGGY-----------NGFDDRLQYYKKAVSAFNIKQCPNLEKKIINKLDDYTAFEDSYIYSKKAGESFGWGLWNDPKGGKHGKTANPVEAKKGYQRFLEMSKGVTFPFGYKLNKQKEKISRKRYGYSADSAKALAEKRVKEL 4IJ4 Chain:A ((4-205)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TSFVTPAVFEGW-FPNRNPFYTYDGLVSASN-GYPEFGTTGSLDDQKRELAAFLGNINQASGGLQFIQEQNP-SDYCDTSSTQYPCAAGKQYYGRGPIQLSWNYNYGEAGADLGLDLL-NNPDLVAQDSTVAWRTALWFWMKRD---CHGAITASPPSFSGTIRIINGGLECNQPAGSIGNMQMENRVTYYTQFCQTLGVDPGTDLRC----------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4IJ4.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 : 817 2828 3.46 16.16 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : 3.46 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.376

(partial model without unconserved sides chains): PDB file : Tito_4IJ4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IJ4-query.scw PDB file : Tito_Scwrl_4IJ4.pdb: