Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLEKLFQLKAHNTTVRTEILAGITTFLTMAYILFVNPSILGETGMDKGAVFVAT--CLAAAIGSTIMGLIANYPIALAPGMGLNAFFTYTVVLHMGHS-------WQVALGAVFISATMFFLLSIFRIREWIINSIPLPLRSAIAAGIGLFLALIALQNAGIVVDNPATLIGMGDLTKPAPILATLGFILIVALEARSVTGAVLIGILVVTAIAILLGVTQFGGVVSMPPSLAPTFLQLDIKGALDIGLVSVIFAFLFVDLFDNSGTLIGVAKRAGLMGKDGHMPKMGRALIADSTAAMGGSLLGTSTTTSYIESAAGVSAGGRTGLTAIVVAILFLLALFFAPLAGSVPAFATAPALLFVAVLMASGLAEIDWEDITVAAPVVVTALAMPFTYSIATGIAFGFISWTAIKVLSGRWRELNPALVILSVLFVIKLGFFNA |
1UJN Chain:A ((1-347)) | ---------MQRLEVREP----------VPYPILVGEGVLKEVPPLAGPAALLFDRRVEGFAQEVAKALGVRHLLGLPGGEAAKSLEVYGKVLSWLAEKGLPRNATLLVVGGGTLTDLGGFVAATYL-RGVAYLAFPTTTLAIVDASVGGKTG----------INLPEGKNLVGAFHFPQGVYAELRALKTLP------LPTFKEGLVEAFKHGLIAGDEALLKVEDLTPQ--SPRLEAFLARAVAVKVRVTEE--------DPLEKGKRRLLNLG--------HTLGHALEAQT---------------------------RHALPHGMAVAYGLLYAALLGRALGGEDLLPPVRRLLLWLSP--PPLPPLAFEDLLPYLSLHWVVPLAPGRLVVRP---------LPEGLLREAFAAWREELKGLGLL---------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1UJN.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -392948 for 2814 contacts (-139.6/contact) +
2D Compatibility (PS) -34296 + (NN) -5558 + (LL) 8856
1D Compatibility (HY) -6000 + (ID) 2550
Total energy: -432496.0 ( -153.69 by residue)
QMean score : 0.138
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