Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSVDHLISPFRDKRIILALSNEIKKFASKLTKKLVIMEVCGGHTHSIMKYGLLDLMPKNLEFAHGPGCPVCVMPRARLDEAYELASMKDSIVLSLGDMMRVPGSYGSLIQAREKGLDARFLYS---PMQALEIAKENPHKKVIYIAIGFETTTPMTASVLLNAKKEKLKNLFFHINHILVPPSVSTILEDKACRINALLAPSHVSVISG--AQIYAPLVDRFKLPIIVSGFEPVDILESVLMLTKQALNKEAKLEIQYKRAVSYEGNTKAQELVNACMEVRENFEWRGLGNIKRSALKLKEAFASYDAEKVFKAYLSHKTSKENKACKCGEILKGIAKPLDCSLFATTCTPQNPIGSCMVSSEGACAAYYRYKRV |
1FUI Chain:A ((356-591)) | --------------------AQVFADVRTYWSPEAIERVTGHKLDGLAEHGIIHLINSGSAALDGSCKQRDSEGNPTMKPHWEISQQEADACLAATEWCPAIHEY-----FRGGGYSSRFLTEGGVPFTMTRVNIIKGLGPVLQIAEGWSVELPKDVHDILNKRTNST-----WPTTWFAPRLTGKGPFTDVYSVMANWGANHGVLTIGHVGADFITLASMLRIPVCMH-----NVEETKVYRPSAWAAHGMDIEGQDYRACQNYGPLYKR-------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1FUI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -71684 for 1730 contacts (-41.4/contact) +
2D Compatibility (PS) -24245 + (NN) -2037 + (LL) 9800
1D Compatibility (HY) -1600 + (ID) 1700
Total energy: -91466.0 ( -52.87 by residue)
QMean score : 0.261
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