Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MCNDATLLNKITLFGVVQGVGMRPFVYILAQKLGLVGFVRNAQAALEIVLPAHK--TESFLNALKKGLPPLALVEKIIISPYDKALHFNDFRILESKNHPLNLLSQIPKDLGVCEDCLCEIRDKNSPYFHYAFNSCAKCGARYSLLNAMPYDRENSALKPFKLCKFCASVYKDAHNKRFHIQGISCKKCGIALNYKRFKNDDALLEC-AKDIQKGKIIALKGLGGFALLCDARNFKTIERLRLLKNRPLKPFALMFKDLNAAKQHAFLNALECESLNSVSAPILLARKKPDTQLAPNIAKNSPFYGVILPYTPLHALLLDLLDSPIVFTSANFSSLPLASDEKE-IDSLHFIFDFKLTHNRTIIHRIDDSIAQRVDNAIRPMRLVRGFAPLYLTLPKRSFNAPKKILALGAEQKGHFSLLDSETSVLLLSPFCGDLSVLENEKHFK---ETLNFFLKTYDFKPTLLACDEHQNYTTTKMAFDFNTPLLQVQHHHAHFLASVLDALLQDPHLNHPFIGIVWDGSG-AYENKIYGAECFVGDLERIEEVARFEEFWLLGGQKAIKEPRRLVLEIALKHQLNKLLKRVQKHFKEDELGIFKQMHDKKIQSVATNSIGRLFDIVAFSLGVVGTISFEAESGQVLENLA-----------LQSDEIAFYPFEIKNSVVRLKEFYQAFEKDLGVLEPKRIAKKFFNSLVEI---ITALIAPFKG-HVVVCSGGVFCNQLLCEQLAKRLKKLQREYFFHKHFPPNDSSIPVGQALMAYFNPTIIKKG |
3VTI Chain:B ((13-745)) | ---------QINIFGIVQGVGFRPFVFNIAQKYNLKGIVYNNSSGLYIEVEGEEKDIEAFIREIKENPPSLSVIDEIQVREVE-VKEYKDFKIVGSKED--GGFVPVSPDMGVCEDCLRELKDPKDRRYRYPFINCTNCGPRFSIIEDIPYDRAKTSMKVFPMCEKCSREYHDPHDRRFHAQPVACFDCGPSLSFVGEGCFDDEIKCVAKALKEGKIVAIKGIGGFHLAVNALDDEAVATLRRRKKRYGKPFAVMMRDVEEVKKYCIVSPEEERLLLSQRRPIVLLKKKGE-KLAKGIADDLDTLGVMLPYAPIHYLLMEEIDFPIVMTSGNVSEEPICKDNEEALEKLKDIADVFLLNNRDIVNRIDDSVTSFNAGAERIIRRARGYAPQPILLKK---EVKASILAVGGFYKNTFCM--TKGHYAFISHHIGD---LDNEKAFNYYIEQIERYKKLFRVDPEVVAHDMHKGYLSTQYAKSLDLPKIEVQHHHAH-----IASCMAEHNLDEKVIGIAYDGTGYGTDGNVWGAEILVCDLKSFERIAHLKYKPLPGNELAIKKIYRTALGFIFDNI--SFYKNFVEQVDSRELDIILKQIDRKINTAYVSSMGRFFDAVAALIGVRKEVLFEGQAAMELESLMAESEEYYEYEILKEDRYVIDPELI------LRQIYEDYMKG---FEKSYISAKFHNTVVNFTYDLANLIRKETGINKVVLSGGSFQNRYLLRRLIEKLSLSGFEVYSNSKVPCNDGGISLGQAVIANKILEG---- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3VTI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -498785 for 6373 contacts (-78.3/contact) +
2D Compatibility (PS) -76068 + (NN) -29881 + (LL) 2724
1D Compatibility (HY) -58400 + (ID) 12800
Total energy: -673210.0 ( -105.63 by residue)
QMean score : 0.487
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