Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSGPGPGGGMRMQTAAKPKNFKQTLFRLLGYMKPRSVAIIVVFIFAILSTIFNIFSPKELGKATTEIFKGVMSQDGINNDKIFNILMIVLVLYLGSSLFSFIQQYVMSSVAQRTVYDMRKDLKAKMARLPLKYYDTRSNGDILSRSVNDMDNIANTLQQSLTQAITAIVQMIGVLIMMLTISWQMTLIVLVTVPISIILVAIIAGRSQRYFGAQQRNLGILNDTVEETYGGQTIIKAFGQEKKTLVKFDEVNEDYFKAAKKAQFISGIMMPVMQFVGNLGYVGVCVAGGIFVTNGTLQVGDIQSFTQYVQLFTQPISSVANIANIIQSTIASAERVFEMMDEEEEKDEIPANVNQVAGEEHSIVFDHVKFGYTPDKPLMTD-LNIHVEEGQMVAIVGPTGAGKTTIINLLMRFYDVDGGQIRMKGIDTRDMTKDAVREKFGMVLQDTWLFNGTIADNIAYGREGATKDEVIGAAKAAYADDFIRRLPNGYDTILNEEGSNISQGQKQLLTIARAILSDPSILILDEATSSVDTRTELNIQLAMGNLMEGRTSFVIAHRLSTIRDADLILVMNHGSVIEQGTHQELL-DAKGFYADLYNSQFTGAQAV |
1XEF Chain:C ((2-239)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ITFRNIRFRYKPDSPVILDNINLSIKQGEVIGIVGRSGSGKSTLTKLIQRFYIPENGQVLIDGHDLALADPNWLRRQVGVVLQDNVLLNRSIIDNISLANPGMSVEKVIYAAKLAGAHDFISELREGYNTIVGEQGAGLSGGQRQRIAIARALVNNPKILIFDEATSALDYESEHVIMRNMHKICKGRTVIIIAARLSTVKNADRIIVMEKGKIVEQGKHKELLSEPESLYSYLYQLQ------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1XEF.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -187758 for 1853 contacts (-101.3/contact) +
2D Compatibility (PS) -25651 + (NN) -8109 + (LL) 29596
1D Compatibility (HY) -24000 + (ID) 5100
Total energy: -221022.0 ( -119.28 by residue)
QMean score : 0.611
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