Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPVRRRAGERLPTVWDFETDPQYQSKLDWVEKFMAEELEPLDLVALDPYDKKNADTMAILRPLQRQVKDQGLWAAHLRPELGGQGFGQVKLALLNEIIGRSRWAPSAFGCQAPDSGNAEILALFGTDEQKARYLRPLLDGEITSCYSMTEPQGGSDPGLFVTAATRDAAGNGDW-IINGEKWFSTNAKHASFFIVMAVTKPEARTYEKMSLFIVPADTPGIEIVR---NVGVGAESTRHASHGYIRYHDVRVPADHVLGGEGQAFMIAQTRLGGGRIHHAMRTIALARRAFDMMCERALSRQTRHGRLADLQMTQEKIADSWIQIEQFRLLVLRTAWLIDKHHDYQKVRRDIAAVKVAMPQVLHDVVQRAMHLHGALGVSDEMPFVKMMLAAESLGIADGATELHKMTVARRTLREYQPVTTLFPSQHIPTRRAHAEAWLAQRLEHAIAEF |
2JIF Chain:A ((40-404)) | -----------------------------VKKFAQEQIAPL----VSTMDENSKMEKSVIQGLFQQ----GLMGIEVDPEYGGTGASFLSTVLVIEELAKVDASVAVF-CEIQNTLINTLIRKHGTEEQKATYL-PQLTTEKVGSFCLSEAGAGSDSFALKTRADKE----GDYYVLNGSKMWISSAEHAGLFLVMANVDPTI-GYKGITSFLVDRDTPGLHIGKPENKLGLRASSTCP-----LTFENVKVPEANILGQIGHGYKYAIGSLNEGRIGIAAQMLGLAQGCFDYTIPYIKERIQFGKRLFDFQGLQHQVAHVATQLEAARLLTYNAARLLEAGKPFIK---EASMAKYYASEIAGQTTSKCIEWMGGVGYTKDYPVEKYFRDAKIGTIYEGASNIQLNTIAKHIDAEY---------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2JIF.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -204286 for 3230 contacts (-63.2/contact) +
2D Compatibility (PS) -40130 + (NN) -26654 + (LL) 6288
1D Compatibility (HY) -19200 + (ID) 5300
Total energy: -289282.0 ( -89.56 by residue)
QMean score : 0.470
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