Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQEYHIHNLDCPDCAAKLERDLNKLDYVKKAQINFSTSKLFLDTSDFEKVKAFIKQNEPHLSLSFKEAAEKPLSFTPLIATIAVFLGAILILHLEPSPFIEKAVFVVLALVYLISGKDVILGAFRGLRKGQFFDENALMLIATIAAFCVGAYEESVSIMVFYSAGEFLQILAIARSKKSLKALVDVAPNLAYLKKGDTLVSVAPEDLRINDIVVVKVGEKVPVDGVVIKGESLLDERALSGESMPVNVSERSKVLGGSLNLKAVLEIQVEKLYKDSSIAKVVDLVQQATNEKSETEKFITKFSRYYTPSVLFIALMIAVLPPLFSMGSFDEWIYRGLVALMVSCPCALVISVPLGYFGGVGAASRKGILMKGVHVLEVLTQTKSIAFDKTGTLTKGVFKVVDIVPQNGHSKEEVLHYASCSQLLSTHPIALSIQKACEEMLKDDKHQHDIKNYEELSGMGVKAQCHTDLIIAGNEKMLDQF--H-------IAHSPSPENGTIVHVAFNQTYIGYIVISDEIKDDAIECLRDLKAQGIENFCILSGDRKSATESIARTLGCE-YHASLLPEEKTSVFKTFKERYKAPAIFVGDGINDAPTLASADVGIGMGKGSELSKQSADIVITNDSLSSLVKVLAIAKKTKSIIWQNILFALGIKAVFIVLGLMGVASLWEAVFGDVGVTLLALANSMRTMRA |
3A1C Chain:A ((14-280)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AELGILIKNADALEVAEKVTAVIFDKTGTLTKGKPEVTDLVPLNG-DERELLRLAAIAERRSEHPIAEAIVKKALEHG---IELGEPEKVEVIAGEGVVA----DGILVGNKRLMEDFGVAVSNEVELALEKLEREAKTAVIVARNGRVEGIIAVSDTLKESAKPAVQELKRMGIK-VGMITGDNWRSAEAISRELNLDLVIAEVLPHQKSEEVKKLQA--KEVVAFVGDGINDAPALAQADLGIAVGSGSDVAVESGDIVLIRDDLRDVVAAIQLSR------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3A1C.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -147532 for 2251 contacts (-65.5/contact) +
2D Compatibility (PS) -27575 + (NN) -8309 + (LL) 35380
1D Compatibility (HY) -14400 + (ID) 4900
Total energy: -167336.0 ( -74.34 by residue)
QMean score : 0.533
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