Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQEYHIHNLDCPDCAAKLERDLNKLDYVKKAQINFSTSKLFLDTSDFEKVKAFIKQNEPHLSLSFKEAAEKPLSFTPLIATIAVFLGAILILHLEPSPFIEKAVFVVLALVYLISGKDVILGAFRGLRKGQFFDENALMLIATIAAFCVGAYEESVSIMVFYSAGEFLQILAIARSKKSLKALVDVAPNLAYLKKGDTLVSVAPEDLRINDIVVVKVGEKVPVDGVVIKGESL-LDERALSGESMPVNVSERSK----------VLGGSLNLKAVLEIQVEKLYKDSSIAKVVDLVQQATNEKSETEKFITKFSRYYTPSVLFIALMIAVLPPLFSMGSFDEWIYRGLVALMVSCPCALVISVPLGYFGGVGAASRKGILMKGVHVLEVLTQTKSIAFDKTGTLTKGVFKVVDIVPQNGHSK----------------EEVLHYASCSQLLSTHP-----------------------IALSIQKACEEMLKDDKHQHDIKNYEELSGMGVKAQCHTD---------LIIAGNEKML---------------------DQFHIAHSPSPENG-TIVHVAFNQ------------------------TYIGYIVISDEIKDDAIECLRDLKAQGIENFCILSGDRKSATESIARTLGC------------------------------EYHASLL------------------------PEEKTSVFKTFKERYKAPAIFVGDGINDAPTLASADVGIGMG-KGSELSKQSADIVITNDSLSSLVKVLAIAKKTKSIIWQNILFAL----GIKAVFIVLGLMGVASLWEAVF--------GDVGVTLLALANSMRTMRA---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
3B8E Chain:A ((1-998)) | ------------------AKKERDMDELKKEVSMDDHKLSLDELHRKYGTDLSRGLTPARAAEILARDGPNALTPPPTTPEWVKFCRQL-----------FGGFSMLLWIGAILCFLAYGIQAATEEEPQNDNLYLGVVLSAVVIITGCFSYYQE------------------AKSSKIMESFKNMVPQQALVIRNGEKMSINAEEVVVGDLVEVKGGDRIPADLRIISANGCKVDNSSLTGESEPQTRSPDFTNENPLETRNIAFFSTNCVEGTARGIVVYTGDRTVMGRIATLASGLEGGQTPIAAEIEHFIHIITGVAVFLGVSFFILSLILEY-TWLEAVIFLIGIIVANVPEGLLATVTVCLTLTAKRMARKNCLVKNLEAVETLGSTSTICSDKTGTLTQNRMTVAHMWSDNQIHEADTTENQSGVSFDKTSATWLALSRIAGLCNRAVFQANQENLPILKRAVAGDASESALLKCIELCCGSVKEMRERYTKIVEIPFNSTNKYQLSIHKNPNTAEPRHLLVMKGAPERILDRCSSILIHGKEQPLDEELKDAFQNAYLELGGLGERVLGFCHLFLPDEQFPEGFQFDTDDVNFPLDNLCFVGLISMIDPPRAAVPDAVGKCRSAGIKVIMV-TGDHPITAKAIAKGVGIISEGNETVEDIAARLNIPVSQVNPRDAKACVVHGSDLKDMTSEQLDDILKYHTEIVFARTSPQQKLIIVEGCQ-RQGAIVAVTGDGVNDSPASKKADIGVAMGIAGSDVSKQAADMILLDDNFASIVTGVEEGRLIFDNLKKSIAYTLTSNIPEITPFLIFIIANIPLPLGTVTILCIDLGTDMVPAISLAYEQAESDIMKRQPRNPKTDKLVNEQLISMAYGQIGMIQALGGFFTYFVILAENGFLPIHLLGLRVNWDDRWINDVEDSYGQQWTYEQRKIVEFTCHTPFFVTIVVVQWADLVICKTRRNSVFQQGMKNKILIFGLFEETALAAFLSYCPGMGVALRMYPLKPTWWFCAFPYSLLIFVYDEVRKLIIRRRPGGWVEKETYY |
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General information:
TITO was launched using:
| RESULT:
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Template: 3B8E.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -254543 for 5279 contacts (-48.2/contact) +
2D Compatibility (PS) -65296 + (NN) -2713 + (LL) 4472
1D Compatibility (HY) -26400 + (ID) 5950
Total energy: -350430.0 ( -66.38 by residue)
QMean score : 0.267
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