Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNLVSKLEETASEKPDSIACRFKDHMMTYQELNEYIQRFADGLQEAGMEKGDHLALLLGNSPDFIIAFFGALKAGIVVVPINPLYTPTEIGYMLTNGDVKAIVGVSQLLPLYESMHESLPKVELVILCQTGEAEPEAADPEVRMKMTTFAKILRPTSAAKQNQEPVPDDTAVILYTSGTTGKPKGAMLTHQNLYSNAN-DVAGYLGMDERDNVVCALPMFHVFCLTVCMNAPLMSGATVLIEPQ--FSPASVFKLVKQQQATIFAGVPTMYNYLFQHENGKKDDFSSIRLCISGGASMPVALLTAFEEKFGVTILEGYGLSEASPVTCFNPFDRGRKPGSIGTSILHVENKVVDPLGRELPAHQVGELIVKGPNVMKGYYKMPMETEHALKDGWLYTGDLARRDEDGYFYIVDRKKDMIIVGGYNVYPREVEEVLYSHPDVKEAVVIGVPDPQSGEAVKGYVVPKRSG----VTEEDIMQHCEKHLAKYKRPAAITFLDDIPKNATGKMLRRALRDILPQ 4WV3 Chain:A ((12-517)) --AVDILERNLPVRANKTALFTPDREMTFRQVSNEANQVGNALKGLGVRFGECVGLLTLDSAEWVTSFFGIVKLGAIAVGINTLLKPPEYEYILRDCRARVLIVHQEFLPLIESIRGNLPMLEHIVVIG---------------GYLSFNDWIRPQPTTLEAAQSHREDICSLNYSSG-TGGPKGIPHAHKDYPLTAQLWGVNVLGLRESDRTFALAKLFFTFGTGGNLIFPWYVGASCVLFPGAARVASNVLSTISRFKPTIFYNAPTGYAAALALKDFSQHDLSSLRLCVSASEALPAALWYAWKEATGVDIIDGIGCTENFHIFISNRPG-DIRPGSSGKPVEGYELKLVDDEGKTVPAGEIGNVLLRSETAALSYWHNFEKSRQTFQGEWLATGDKYFVDADGYYWHAGRSDDMLKVGGIWVSPVEVESTLIQHPAVQECAVIGCPDQSRLIKPKAFIILKPEQIPSEALIRQITDHCTEKMAAYKRPRWIEFVTELPKTATGKIQRFKLRSAAK-

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 A - contact count / total energy / energy per contact / energy per residue : 3022 -332271 -109.95 -673.98 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -109.95 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.551

(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: