Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSNNNFLLSYACFPNKTRGRYFKEQEDENRSCFQRDRDRIIHSNAFRKLEYKTQVFINYEHDYYRTRLTHSLEVAQIARSIARRLGLDEDITECIALAHDLGHPPFGHTGENALKRAVQDLNLDNEKYEFDHNVQAIRILTYLEQKHADFDGMNLSWEVVEGVAKHNGPLLGRNAVSYTNNQLLLEYNEKYNLKLEEFSSIEAQVASIADDIAYSVHDLDDELRANLVTIEDLLNIPLIGKTFKDVESRYSELPQNKLIHESLSRTIGMMISDVVSQTEKNIEDYKIKSVEDVRSLNKMLVTFSPEVANATKEVKKFNMEKIYRSYKLNRTMNKAKRIVEELFQCFYENPRLLPIEWNKLAHKFQRSVVICDYISGMTDRFAIHEHRRIFDTSYEMTSF |
2DQB Chain:A ((12-376)) | --EASRLAPYAQKARDTRGRAHPEPESLYRTPYQKDRDRILHTTAFRRLEYKTQVLPGWA--YYRTRLTHTLEVAQVSRSIARALGLNEDLTEAIALSHDLGHPPFGHTGEHVLNALMQDHG------GFEHNAQALRILTHLEVRYPGFRGLNLTYEVLEGIATHEA----------------------------GQGTLEAQVVDLSDAIAYAAHDLDDGFRAGLLHPEELKEVELLQALALEEGLDLLRLPE-LDRRVLVRQLLGYFITAAIEATHRRVEEAGVQSAEAVRRHPSRLAALGEEAEKALKALKAFLMERFYRHPEVLRERRKAEAVLEGLFAAYTRYPELLPREVQAKIPEEGLERAVCDYIAGMTDRFALEAYRRLSP-------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2DQB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -159824 for 3054 contacts (-52.3/contact) +
2D Compatibility (PS) -36887 + (NN) -5514 + (LL) 2748
1D Compatibility (HY) -20000 + (ID) 7750
Total energy: -227227.0 ( -74.40 by residue)
QMean score : 0.492
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