Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQEYHIHNLDCPDCAAKLERDLNKLDYVKKAQINFSTSKLFLDTSDFEKVKAFIKQNEPHLSLSFKEAAEKPLSFTPLIATIAVFLGAILILHLEPSPFIEKAVFVVLALVYLISGKDVILGAFRGLRKGQFFDENALMLIATIAAFCVGAYEESVSIMVFYSAGEFLQILAIARSKKSLKALVDVAPNLAYLKKGDTLVSVAPEDLRINDIVVVKVGEKVPVDGVVIKGE-SLLDERALSGESMPVNVSERSKVLGGSLNLKAVLEIQVEKLYKDSSIAKVVDLVQQATNEKSETEKFITKFSRYYTPSVLFIALMIAVLPPLFSMGSFDEWIYRGLVALMVSCPCALVISVPLGYFGGVGAASRKGILMKGVHVLEVLTQTKSIAFDKTGTLTKGVFKVVDIVPQ---NGHSKEEVLHYASCSQL-LSTHPIALSIQKACEEMLKD--DKHQHDIKNYEELSGMGVKAQC--HT--DLIIAGNEKMLDQ-FH--------I---AHSPSPENGTIVHVAF-------------NQTYIGYIVISDEIKDDAIECLRDLKAQGIENFCILSGDRKSATESIARTLGCE-------------------------------YHASLLPEEKTSVFKTFKERYKAPAIFVGDGINDAPTLASADVGIGMGKGSELSKQSADIVITNDSLSSLVKVLAIAKKTKSIIWQNILFALGIKAVFIVLGLMGVASLWEAVFGDVGVTLLALANSMRTMRA |
3B8C Chain:A ((95-657)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------DFVGIICLLVINSTISFIEENNAGNAAAALMAGLAPKTKVLRDGKWSEQEAAILVPGDIVSIKLGDIIPADARLLEGDPLKVDQSALTGESLPVTKHPGQEVFSGSTCKQGEIEAVVIATGVHTFFGKAAHLVDSTN-QVGHFQKVLTAIGNFCICSIAIGMVIEIIVMYPIQRRKYRDGIDNLLVLLIGGIPIAMPTVLSVTMAIGSHRLSQQGAITKRMTAIEEMAGMDVLCSDKTGTLTLNKLSVDKNLVEVFCKGVEKDQVLLFAAMASRVENQDAIDAAMVGMLADPKEARAGIREVHFLPFNPVDKRTALTYIDGSGNWHRVSKGAPEQILELAKASNDLSKKVLSIIDKYAERGLRSLAVARQVVPEKTKESPGAPWEFVGLLPLFDPPRHDSAETIRRALNLGVN-VKMITGDQLAIGKETGRRLGMGTNMYPSSALLGTHKDANLASIPVEELIEKADGFAGVFPEHKYEIVKKLQER-KHIVGMTGDGVNDAPALKKADIGIAVADATDAARGASDIVLTEPGLSVIISAVLTSRAIFQRMKNYTIYAVSITIRIVFGFMLIALIWEFDFSAFMVLIIAILNDGTIMTIS |
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General information:
TITO was launched using:
| RESULT:
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Template: 3B8C.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -193327 for 3882 contacts (-49.8/contact) +
2D Compatibility (PS) -51328 + (NN) -78 + (LL) 12904
1D Compatibility (HY) -18400 + (ID) 4950
Total energy: -255179.0 ( -65.73 by residue)
QMean score : 0.327
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