Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNTQREQLIHTWLTSVLEN-DQFQIAYLAGDASFRRYARIQLQNKTYMLMDAPPE--KEDCVPFVTIDEFFAG-HGVRVPQIVAKDLN-----QGFLLLEDFGDVLLSTLLND-E---TVDQYYEQSFKQLIHLQSINGAEHFPAYSYEKLLSEMQLLTDWMLPSLDIHPTAEQKKTIDDAFDFLAQAA--LAQPQVIVHRDFHSRNLMKIAN-EEELGVIDFQDAVIGADTYDLISITRDAYVQWNAERVYQWFKVFYELLPASAKQNRSFDQFKRDADLMAIQRHIKILGIFVRLFERDGKSGYLKDLPRVMWYLLEESRGYHELDDFMAFIHSSVMPKFIEKYGPYEVAA 3N4U Chain:A ((1-257)) MRTYTFDQVEKAIEQLYPDFTINTIEISGEGNDCIAY-EI---NRDFIFKFPKHSRGSTNLFNEVNILKRIHNKLPLPIPEVVFTGMPSETYQMSFAGFTKIKGVPLTPLLLNNLPKQSQNQAAKDLARFLSELHSINISG-FKSNLVLDFREKINEDNKKIKKLLSRELKGPQMKKVDDFYRDILENEIYFKYYPCLIHNDFSSDHILFDTEKNTICGIIDFGDAAISDPDNDFISLMEDDE-EYGMEFVSKILNHYKHKDI------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3N4U.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 : 1000 4015 4.01 16.66 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 4.01 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.227

(partial model without unconserved sides chains): PDB file : Tito_3N4U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3n4u-query.scw PDB file : Tito_Scwrl_3N4U.pdb: