Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNLKALPAIEGDHNLKNYEETYRHFDWAEAEKHFSWHETGKLNAAYEAIDRHAESF--RKNKVALYYKDAKRDEKYTFKEMKEESNRAGNVLRRYGNVEKGDRVFIFMPRSPELYFIMLGAIKIGAIAGPLFEAFMEGAVKDRLENSEAKVVVTTPELLERIPVDK--LPHLQHVFVVGGEAESGTNIINYDEAAKQESTRLDIEWMDKKDGFLLHYTSGSTGTPKGVLHVHEAMIQQYQT-GKWVLDLKEEDIYWCTADPGWVTGTVYGIFAPWLNGATNVIVGGRFSPES-WYGTIEQLGVNVWYSAPTAFRMLMGAGDEMAAKYDLTSLRHVLSVGEPLNPEVIRWGHKVFNKRIHDTWWMTETGSQLICNYPCMDIKPGSMGKPIPGVEAAIVDNQGNELPPYRMGNLAIKKGWPSMMHTIWNNPEKYESYFMPGGWYVSGDSAYMDEEGYFWFQGRVDDVIMTSGERVGPFEVESKLVEHPAIAEAGVIGKPDPVRGEIIKAFIALREGFEPSDKLKEEIRLFVKQGLAAHAAPREIEFKDKLPKTRSGKIMRRVLKAWELNLPAGDLSTMED 4WV3 Chain:B ((10-514)) ---------------------------------------------YNAVDILERNLPVRANKTALFTPD----REMTFRQVSNEANQVGNALKGLG-VRFGECVGLLTLDSAEWVTSFFGIVKLGAIAVGINTLLKPPEYEYILRDCRARVLIVHQEFLPLIESIRGNLPMLEHIVVIGEGPQEG--YLSFNDWIRPQPTTLEAAQSHREDICSLNYSSGTTGGPKGIPHAHKDYPLTAQLWGVNVLGLRESDRTFALAKLFFTFGTGGNLIFPWYVGASCVLFPGAARVASNVLSTISRFKPTIFYNAPTGYAAALALKD--FSQHDLSSLRLCVSASEALPAALWYAWKEATGVDIIDGIGCTENFHIFISNRP-GDIRPGSSGKPVEGYELKLVDDEGKTVPAGEIGNVLLRSETAALSY--WHNFEKSRQTFQ-GEWLATGDKYFVDADGYYWHAGRSDDMLKVGGIWVSPVEVESTLIQHPAVQECAVIGCPD---LIKPKAFIILKP-QIPSEALIRQITDHCTEKMAAYKRPRWIEFVTELPKTATGKIQRFKLRS---------------

General information: TITO was launched using: RESULT: Template: 4WV3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 3053 30526 10.00 61.67 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain B : 0.75 3D Compatibility (PKB) : 10.00 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.518

(partial model without unconserved sides chains): PDB file : Tito_4WV3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WV3-query.scw PDB file : Tito_Scwrl_4WV3.pdb: