Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKFYTYSGETAAEALKIAQSHHGVDTLVFKTQEIRKKTLTSSGLYEIVVAVEEEENKKAPLIPESLYDEELNEEDVVMQLSSTVEEMRKLAGVSSNQRNYTFSKNKTLLEKDAPLEDTPLEANKQDALLQALKDEANHKKEREKREVKQEEEIKDINAQLSKIRDSLKLIQNMFWDEKNPNSVNIPQEFAEIYKLAKQSGMKSSH----LDEIMQLSLELMPLRMRENSVTIKRYFREVLRKIILCRPEDLNLRQKRILMLVGPTGVGKTTTLAKLAARYSRMLAKKYKVGIITLDNYRIGALEQLSWYANKMKMSIEAVIDAKDFAKEIEALEYCDFILVDTTGHSQYDKEKIAGLKEFIDGGYNIDVSLVLSVTTKYEDMKDIYDSFGVLGIDTLIFTKLDESRGLGNLFSLVHESQKPISYLSVGQEVPMDLKVATNEYLVDCMLDGFSNPNKEQA |
3SYN Chain:A ((39-286)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PEPLRKAEKLLQETGIKESTKTNTLKKLLRFSVEAGGLT--EENVVGK--LQEILCDMLPSADKWQEPIHSKYIVLFGSTGAGKTTTLAKLAA--ISMLEKHKKIAFITTDTYRIAAVEQLKTYAELLQAPLEVCYTKEEFQQAKELFSEYDHVFVDTAGRNFKDPQYIDELKETIPFESSIQSFLVLSATAKYEDMKHIVKRFSSVPVNQYIFTKIDETTSLGSVFNILAESKIGVGFMTNGQNVPEDIQTVSPLGFVRMLCR---------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3SYN.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -127834 for 1916 contacts (-66.7/contact) +
2D Compatibility (PS) -26657 + (NN) -13440 + (LL) 15512
1D Compatibility (HY) -17600 + (ID) 4500
Total energy: -174519.0 ( -91.09 by residue)
QMean score : 0.541
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