Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------MKQVKCECGHINPVGTVLCESCGRALQETQPPLADMRYDGSARRSQTYNKTIIDKIWNFFSSVKVGIWLIVITLAASAFGTIFPQEAYLPPGAQADTYYKEQYGTFGQL---------YYLLGFHHL---YGSWWYLLL----------IASIGISLVICSLDRVIPLYRALKNQGVRRSPAFLRRQRLFSETVTVLNGESKEKI----------VTLLKKKHYRIR------EKEGSILAEKGRFSRWGPYVNHIG-----------LIIFLIGAMLRFVPGMYVDET-------LWVR--------EGETAAIPGTDGKYYLKNNQFSVETYNSKTEKKVFAD-------AIDRVGDG-----RVAKNFQTDAVLYKREGKI-------------VYGEKPKLEKVTEEDIRVNQP----------LRFD------SFSVYQVDYKENQLDQMVFQLIDKKTKKSFGS-LKINLLDPDSVYDLGNGYKVEIASYLPDFYFNQDGEPSTKTKIPNNPAFVFNIITPDKPKGEKSFVAIQETIEGSGNNKYKLKFDHVETKNITGLTVRKDLTLWVLAVGGAIFMIGVIQGMYWQHRRIWLHSQDGAVMVAGHTNKNWFGLKKDL-----AFILADSGLTEPVDQKELIKTQK------- 4UIR Chain:A ((2-646)) NPITSKFDKVLNASSEYGHVNH------EPDSSKEQQRNTPQKSMPF------SDQIGNYQRNKGIPVQSYDNSKIYIIGSGIAGMSAAYYFIRDGHVP--AKNITFLEQLHIDGGSLDGAGNPTDGYIIRGGREMDMTYENLWDMFQDIPALEMPAPYSVLDEYRLINDNDSNYSKARLINNKGEIKDFSKFGLNKMDQLAIIRLLLKNKEELDDLTIEDYFSESFLKSNFWTFWRTMFAFENWHSLLELKLYMHRFLHAIDGLNDLSSLVFPKYNQYDTFVTPLRKFLQEKGVNIHLNTLVKDLDIHINTEGKVVEGIITEQDGKEVKIPVGKNDYVIVTTGSMTEDTFYGNNKTAPIIGIDNSTSGQSAGWKLWKNLAAKSEIFGKPEKFCSNIEKSAWESATLTCKPSALIDKLKEYS-VNDPYSGKTVTGGIITITDSNWLMSFTCNRQPHFPEQPDDVLVLWVYALFMDKEGNYIKKTMLE-----CTGDEILAELCYHLGIEDQLENVQKNTIVRTAFMP-YITSMFMP-RAKGDRPRVVPE------GCKNLGLVGQFVETNNDVVFTMESSVRTARIAVYKLLNLNKQVPDINPLQYDIRHLLKAAKTLNDDKPFVGEGLLRKVLKGTYFEHVLPAGEEHESFIAEHVNKFREWVKGIRG

General information: TITO was launched using: RESULT: Template: 4UIR.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 : 2645 60533 22.89 117.77 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 22.89 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.115

(partial model without unconserved sides chains): PDB file : Tito_4UIR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4UIR-query.scw PDB file : Tito_Scwrl_4UIR.pdb: