Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MKRVGLIGWRGMVGSVLMQRMLEERDFDLIEPVFFTTSNVGGQGPEVGKDIAPLKDAYSIDELKTLDVILTCQGGDYTSEVFPKLREAGWQGYWIDAASSLRMEDDAVIVLDPVNRKVIDQALDAGTRNYIGGNCTVSLMLMALGGLFDAGLVEWMSAMTYQAASGAGAQNMRELLKQMGAAHASVADDLANPASAILDIDRKVAETLRSEAFPTEHFGAPLGGSLIPWIDKELPNGQSREEWKAQAETNKILAR--FKNP--IPVDGICVRVGAMRCHSQALTIKLNKDVPLTDIEGLISQHNPWVKLVPNHREVSVRELTPAAVTGTLSVPVGRLRKLNMGSQYLGAFTVGDQLLWGAAEPLRRMLRILLER |
| 3UW3 Chain:B ((7-377)) | ---VGLVGWRGMVGSVLMQRMQEEGDFDLIEPVFFSTSNAGGKAPSFAKNETTLKDATSIDDLKKCDVIITCQGGDYTNDVFPKLRAAGWNGYWIDAASSLRMKDDAVIILDPVNLNVIKDALVNGTKNFIGGNCTVSLMLMALGGLFRENLVDWMTAMTYQAASGAGAQNMRELLAQMGTLNGAVAAQLADPASAILDIDRRVLAAMNGDAMPTSQFGVPLAGSLIPWIDKDLGNGMSREEWKGGAETNKILGKPAMGEPGSVPVDGLCVRIGAMRCHSQALTIKLKKDVPLDEINGILASANDWVKVVPNEREASMRDLSPAKVTGTLSVPVGRLRKLAMGGEYLSAFTVGDQLLWGAAEPLRRMLRILLDK |
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General information:
TITO was launched using:
| RESULT:
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Template: 3UW3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -227595 for 3096 contacts (-73.5/contact) +
2D Compatibility (PS) -39805 + (NN) -18122 + (LL) 372
1D Compatibility (HY) -48000 + (ID) 13550
Total energy: -346700.0 ( -111.98 by residue)
QMean score : 0.535
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