Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNLVSKLEETASEKPDSIACRFKDHMMTYQELNEYIQRFADGLQEAGMEKGDHLALLLGNSPDFIIAFFGALKAGIVVVPINPLYTPTEIGYMLTNGDVKAIVGVSQLLPLYESMHESLPKVELVILCQTGEAEPEAADPEVRMKMTTFAKILRPTSAAKQNQEPVPDDTAVILYTSGTTGKPKGAMLTHQNLYSNANDVAGYLGMDERDNVVCALPMFHVFCLTVCMNAPLMSGATVLIEPQFSPASVFKLVKQQQATIFAGVPTMYNYLFQHENGKKD---DFSSIRLCISGGASMPVALLTAFEEKFGVTILEGYGLSEASPVTCFNPFDRGRKPGSIGTSILHVENKVVDPLGRELPA---HQVGELIVKGPNVMKGYYKMPMETEHAL-KDGWLYTGDLARRDEDGYFYIVDRKK-DMIIVGGYNVYPREVEEVLYSHPDVKEAVVIGVPDPQSGEAVKGYVVPKRSGVTEE--DIMQHCEKHLAKYKRPAAITFLDDIPKNATGKMLRRALRDILPQ 3NYQ Chain:A ((96-491)) ------------------------------------------------------------------------------VPLNPKSGDKELAHILSDS--------------APSLVLAPPDAEL----------PPALGALERVDVDVRARGAVPEDGADDG------DPALVVYTSGTTGPPKGAVIPRRALATTLDALADAWQWTGEDVLVQGLPLFHVHGLVLGILGPLRRGGSVRHLGRFSTEGAAREL-NDGATMLFGVPTMYHRIAETLPADPELAKALAGARLLVSGSAALPVHDHERIAAATGRRVIERYGMTETLMNTSVR-ADGEPRAGTVGVPLPGVELRLV-----PIAALDGESVGEIQVRGPNLFTEYLNRPDATAAAFTEDGFFRTGDMAVRDPDGYVRIVGRKATDLIKSGGYKIGAGEIENALLEHPEVREAAVTGEPDPDLGERIVAWIVPADPAAPPALGTLADHVAARLAPHKRPRVVRYLDAVPR-----------------

General information: TITO was launched using: RESULT: Template: 3NYQ.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 : 2074 -172618 -83.23 -453.07 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -83.23 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.442

(partial model without unconserved sides chains): PDB file : Tito_3NYQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NYQ-query.scw PDB file : Tito_Scwrl_3NYQ.pdb: