Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRALRFSAGSWRCVFAWMLLLVGLAAQGAELSELERLRIAQVFPAVERIGDPEGDYGVRRLSKGEETLGYAFQTLSVTDIPAYSGKPINLQVILDPQAVIRDAYVLEHHEPILLIGIPEEKLHAFSARYDGVRADQRVVVGRSSDPQAVTVDAVSGATVTVMVVNEIVMRAAHTVAVALGLIEDRGNVRPKPAQVRQQPAATASWSELLGNGAIRRLQLSRGQIDDAFKGSEAEGIGEADAAHRDEPFIDLYSALLNPPAVGRSLLGDNQYRELMASLKPGEYAFVVLGDGEYSFKGSGYVRGGIFDRVQLRQFGDIISFRDLDYQRLSDVYAEGMPEFREMAIFVARASQRFDPGSPWTLELLVRRQTGPVAGVFTSFELACQTPEEYLERPQPTAEELAALEEAARPLWLRVWYQKSFQVGVLCTALVLLLAILFLQDRLVRRPRLMQRLRTGYLAFTLVYLGWYSLGQLSVVNVLTFVHALFEGFRWELFLSDPLLFILWTFTAASLLLWGRGVFCGWLCPFGALQELLNELARKLRVPQFQVPFAVHERLWAIKYIILLVLFGLSLESLALAEQAAEVEPFKTAITLGFDRQWWFVAYAVALLVVNLFTRKVYCRYLCPLGAALAIPAKARLFDWLKRRAECGRPCQLCARECEIQAIHPD-GRIEANECHYCLD---------CQMTYHDQDKCPPLVNKRKKRAKSAPADNARIPAENL |
1Q16 Chain:B ((189-272)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NPACVATCPSGAIYKREED---GIVLIDQDKCRG-WRMCITGCPYKKIYFNWKSGKSEKCIFCYPRIEAGQPTVCSE------TCVGRIRYLGV----------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1Q16.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -33761 for 432 contacts (-78.2/contact) +
2D Compatibility (PS) -7071 + (NN) -14 + (LL) 51500
1D Compatibility (HY) -3600 + (ID) 700
Total energy: 6354.0 ( 14.71 by residue)
QMean score : 0.079
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