Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKYEQLAKDILKNVGGKENINSVFHCITRLRFKLKDENIANTKEIEKLDGVISVIKSGGQYQVVIGNHVPDVFKAVLEVGGISAEGDEGSSAPATGNIFNRFIDMISGVFTPVLGVLAATGMIKGFTAMFVAFGWITVTSGTYQLLYAIGDCLFYFFPIFLGYTAMKKFGGNIFIGMAIGGALVYPTLAGITAGDPLYTLFAGTIFESPIHVTFLGIPVILMSYASSVIPIIVATYFGSKVEKGFKKIIPDVIKTFVVPFCTLLIVVPITFIVIGPIATWAGQLLGAGTIWVYNLSPIIAGLILGGFWQVFVIFGLHWGLVPVAINNLTVLGHDPILAMTFGASFAQIGAVLAVFFKSRNKKIKSLSIPAFISGIFGVTEPAIYGVTLPLKKPFIMSCIAGGIGGGIIGFAGSQTYIMGGLGIFGLPNFFKPGSGISGEFWWVVIAIVISFILGFILTYVVGFKDPADVVVEQSNTVEGETLIERETIPAPVVGEIVTLADVKDEAFSSGALGKGVAIIPTVGRVVAPAAGTVTTIFPTGHAIGITTKDGAEVLIHIGMDTVQLEGKFFTAHVKQGDVIEKGQLLTEFDIEGIKAAGYDVTTPVVVTNSNQYLDVMITDAKEAKLEERLITLVI |
1GPR Chain:A ((17-135)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SPITGEIHPITDVPDQVFSGKMMGDGFAILPSEGIVVSPVRGKILNVFPTKHAIGLQSDGGREILIHFGIDTVSLKGEGFTSFVSEGDRVEPGQKLLEVDLDAVKPNVPSLMTPIVFTN-------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1GPR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -86401 for 935 contacts (-92.4/contact) +
2D Compatibility (PS) -12272 + (NN) -335 + (LL) 36432
1D Compatibility (HY) -10800 + (ID) 2700
Total energy: -76076.0 ( -81.36 by residue)
QMean score : 0.628
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