Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSNNNFLLSYACFPNKTRGRYFKEQEDENRSCFQRDRDRIIHSNAFRKLEYKTQVFINYEHDYYRTRLTHSLEVAQIARSIARRLG---------LDE----------DITECIALAHDLGHPPFGHTGENALKRAVQDL-------NLDNEKYE----FDHNVQAIRILTYLEQKHADFDGMNLSWEVVEGVAKHNGPLLGRNAVSYTNNQLLLEYNEKYNLKLEE---FSSIEAQVA----SIADDIAYSVHDL------DDELRANLVTIEDLLNIPLIGKTFKDVESRYSELPQNKLIHESLSRTIGMMISDVVSQTEKNIEDYKIKSVEDVRSLNKMLVTFSPEVANATKEVKKFNMEKIYRSYKLNRTMNKAKRIVEELFQCFYENPRLLPIEWNKLAHKFQRSVVICDYISGMTDRFAIHEHRRIFDTSYEMTSF |
3BG2 Chain:A ((23-271)) | ------------------------EQDDTRLGFEVDYDRIIFSAPFRSLQDKTQVIP---TDFVHTRLTHSLEVSVVGRSLGRMVGKKLLEKYPHLEQVYGYKFNDFGAIVAAAALAHDIGNPPFGHSGEKAIGEFFKNGYGKRYKDSLTAKEYQDLIKFEGNANGFKVLS--QSKPGAQGGLRLSYATLGAFMKYPKESL------------------KYGFFQSERALFEDVAQELGLLKR----DVSWSRHPLAYLVEAADDICYTIIDFEDGINLGLIPEYNALQETSDRVSYLRALAIGTLINESVDTFMKYEEEILAGTFDQSLIDKSNYQAQITDIINLSIERIYNSREVIEKEIAGYEILSTLLEARCRALDNNDTHYNQLIQQLLAKSLYENLIQICAEVSTMTDGKALRNYKKIKGL--------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3BG2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -24945 for 1380 contacts (-18.1/contact) +
2D Compatibility (PS) -19861 + (NN) -5921 + (LL) 3408
1D Compatibility (HY) -14800 + (ID) 3550
Total energy: -65669.0 ( -47.59 by residue)
QMean score : 0.350
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