Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MIQSKLPNVGTTIFTRMSQLAAECGAINLSQGFPDFDGPPELREAVGRHIAAGH---NQYAPMTGLPALREQVAKKIEQFYGRRVSADSEVTITPGATEAIFSAIQALVHPGDEVVVLDPSYDSYEPSVQLAGGRCVHVPL-----ALPDFSIDWQRMAEAIGPRTRLVIINTPHNPSGALISREELDRLAALIRDRDIYLISDEVYEHLVFDGVAHTSVLSHDELYPRSFVVSSFGKTYHVTGWKTGYVVAPPALSAELRKVHQYVNFCGVTPLQWALADYMAGHPEHLR-------QLPGFYQAKRDLFCDLLLDSRFRFTRAPGTYFQCVDYSAIR---PDLD-------DVAMAEWLTREHGVAAIPVSVFY----EKAPDAMRLVRFCYAKREETLRQAAEKLCAI |
4WLJ Chain:B ((9-415)) | ----RLDGIDYNPWVEFVKLASEHDVVNLGQGFPDFP-PPDFAVEAFQHAVSGDFMLNQYTKTFGYPPLTKILASFFGELLGQEIDPLRNVLVTVGGYGALFTAFQALVDEGDEVIIIEPFFDCYEPMTMMAGGRPVFVSLKPGLGSSSNWQLDPMELAGKFTSRTKALVLNTPNNPLGKVFSREELELVASLCQQHDVVCITDEVYQWMVYDGHQHISIASLPGMWERTLTIGSAGKTFSATGWKVGWVLGPDHIMKHLRTVHQNSVFHCPTQSQAAVAESFEREQLLFRQPSSYFVQFPQAMQRCRDHMIRSLQSVGLKPIIPQGSYFLITDISDFKRKMPDLPGAVDEPYDRRFVKWMIKNKGLVAIPVSIFYSVPHQKHFD--HYIRFCFVKDEATLQAMDEKL--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4WLJ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -261402 for 3247 contacts (-80.5/contact) +
2D Compatibility (PS) -41672 + (NN) -26804 + (LL) 1088
1D Compatibility (HY) -29200 + (ID) 6900
Total energy: -364890.0 ( -112.38 by residue)
QMean score : 0.543
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