Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKFYTYSGETAAEALKIAQSHHGVDTLVFKTQEIRKKTLTSSGLYEIVVAVEEEENKKAPLIPESLYDEELNEEDVVMQLSSTVEEMRKLAGVSSNQRNYTFSKNKTLLEKDAPLEDTPLEANKQDALLQALKDEANHKKEREKREVKQEEEIKDINAQLSKIRDSLKLIQNMFWDEKNPNSVNIPQEFAEIYKLAKQSGMKSSH----LDEIMQLSLELMPLRMRENSVTIKRYFREVLRKIILCRPEDLNLRQKRILMLVGPTGVGKTTTLAKLAARYSRMLAKKYKVGIITLDNYRIGALEQLSWYANKMKMSIEAVIDAKDFAKEIEALEYCDFILVDTTGHSQYDKEKIAGLKEFIDGGYNIDVSLVLSVTTKYEDMKDIYDSFGVLGIDTLIFTKLDESRGLGNLFSLVHESQKPISYLSVGQEVPMDLKVATNEYLVDCMLDGFSNPNKEQA |
2PX3 Chain:A ((39-286)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PEPLRKAEKLLQETGIKESTKTNTLKKLLRFSVEAGGLT--EENVVGK--LQEILCDMLPSADKWQEPIHSKYIVLFGSTGAGKTTTLAKLAA--ISMLEKHKKIAFITTDTY--AAVEQLKTYAELLQAPLEVCYTKEEFQQAKELFSEYDHVFVDTAGRNFKDPQYIDELKETIPFESSIQSFLVLSATAKYEDMKHIVKRFSSVPVNQYIFTKIDETTSLGSVFNILAESKIGVGFMTNGQNVPEDIQTVSPLGFVRMLCR---------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2PX3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -133761 for 1893 contacts (-70.7/contact) +
2D Compatibility (PS) -25903 + (NN) -9702 + (LL) 15816
1D Compatibility (HY) -17200 + (ID) 4400
Total energy: -175150.0 ( -92.53 by residue)
QMean score : 0.510
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