Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | --------MSNNNFLLSYACFPNKTRGRYFKEQEDENRSCFQRDRDRIIHSNAFRKLEYKTQVFINYEHDYYRTRLTHSLEVAQIARSIARRLGLDEDITECIALAHDLGHPPFGHTGENALKRAVQDLNLDNEKYEFDHNVQAIRILTYLEQKHADFDGMNLSWEVVEGVAKHNGPLLGRNAVSYTNNQLLLEYNEKYNLKLEEFSSIEAQVASIADDIAYSVHDLDDELRANLVTIEDLLNIPLIGKTFKDVESRYSELPQNKLIHESLSRTIGMMISDVVSQTEKNIEDYKIKSVEDVRSLNKMLVTFSPEVANATKEVKKFNM-EKIYRSYKLNRTMNKAKRIVEELFQCFYENPRLLPIEWNKLAHKFQRSVVICDYISGMTDRFAIHEHRRIFDTSYEMTSF |
2DQB Chain:C ((2-376)) | RFSREALLELEASRLAPYAQKARDTRGRAHPEPESLYRTPYQKDRDRILHTTAFRRLEYKTQVLPG---WAYRTRLTHTLEVAQVSRSIARALGLNEDLTEAIALSHDLGHPPFGHTGEHVLNALM------QDHGGFEHNAQALRILTHLEVRYPGFRGLNLTYEVLEGIATHEALYEGQ-------------------------GTLEAQVVDLSDAIAYAAHDLDDGFRAGLLHPEELKEVELLQALALEE--GLDLRLPELDRRVLVRQLLGYFITAAIEATHRRVEEAGVQSAEAVRRHPSRLAALGEEAEKALKALKAF-LMERFYRHPEVLRERRKAEAVLEGLFAAYTRYPELLPREVQAKIPEEGLERAVCDYIAGMTDRFALEAYRRLSP-------- |
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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) -162906 for 3035 contacts (-53.7/contact) +
2D Compatibility (PS) -36794 + (NN) -5165 + (LL) 2972
1D Compatibility (HY) -18000 + (ID) 7500
Total energy: -227393.0 ( -74.92 by residue)
QMean score : 0.493
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