Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKRVGLIGWRGMVGSVLMQRMLEERDFDLIEPVFFTTSNVGGQGPEVGKDIAPLKDAYSIDELKTLDVILTCQGGDYTSEVFPKLREAGWQGYWIDAASSLRMEDDAVIVLDPVNRKVIDQALDAGTRNYIGGNCTVSLMLMALGGLFDAGLVEWMSAMTYQAASGAGAQNMRELLKQMGAAHASVADDLANPASAILDIDRKVAETLRSEAFPTEHFGAPLGGSLIPWIDKELPNGQSREEWKAQAETNKILAR--FKNP--IPVDGICVRVGAMRCHSQALTIKLNKDVPLTDIEGLISQHNPWVKLVPNHREVSVRELTPAAVTGTLSVPVGRLRKLNMGSQYLGAFTVGDQLLWGAAEPLRRMLRILLER |
3UW3 Chain:A ((7-376)) | ---VGLVGWRGMVGSVLMQRMQEEGDFDLIEPVFFSTSNAGGKAPSFAKNETTLKDATSIDDLKKCDVIITCQGGDYTNDVFPKLRAAGWNGYWIDAASSLRMKDDAVIILDPVNLNVIKDALVNGTKNFIGGNCTVSLMLMALGGLFRENLVDWMTAMTYQAASGAGAQNMRELLAQMGTLNGAVAAQLADPASAILDIDRRVLAAMNGDAMPTSQFGVPLAGSLIPWIDKDLGNGMSREEWKGGAETNKILGKPAMGEPGSVPVDGLCVRIGAMRCHSQALTIKLKKDVPLDEINGILASANDWVKVVPNEREASMRDLSPAKVTGTLSVPVGRLRKLAMGGEYLSAFTVGDQLLWGAAEPLRRMLRILLD- |
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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) -220042 for 3087 contacts (-71.3/contact) +
2D Compatibility (PS) -39652 + (NN) -17559 + (LL) 472
1D Compatibility (HY) -48000 + (ID) 13550
Total energy: -338331.0 ( -109.60 by residue)
QMean score : 0.524
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