Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKYEQLAKDILKNVGGKENINSVFHCITRLRFKLKDENIANTKEIEKLDGVISVIKSGGQYQVVIGNHVPDVFKAVLEVGGISAEGDEGSSAPATGNIFNRFIDMISGVFTPVLGVLAATGMIKGFTAMFVAFGWITVTSGTYQLLYAIGDCLFYFFPIFLGYTAMKKFGGNIFIGMAIGGALVYPTLAGITAGDPLYTLFAGTIFESPIHVTFLGIPVILMSYASSVIPIIVATYFGSKVEKGFKKIIPDVIKTFVVPFCTLLIVVPITFIVIGPIATWAGQLLGAGTIWVYNLSPIIAGLILGGFWQVFVIFGLHWGLVPVAINNLTVLGHDPILAMTFGASFAQIGAVLAVFFKSRNKKIKSLSIPAFISGIFGVTEPAIYGVTLPLKKPFIMSCIAGGIGGGIIGFAGSQTYIMGGLGIFGLPNFFKPGSGISGEFWWVVIAIVISFILGFILTYVVGFKDPADVVVEQSNTVEGETLIERETIPAPVVGEIVTLADVKDEAFSSGALGKGVAIIPTVGRVVAPAAGTVTTIFPTGHAIGITTKDGAEVLIHIGMDTVQLEGKFFTAHVKQGDVIEKGQLLTEFDIEGIKAAGYDVTTPVVVTNSNQYLDVMITDAKEAKLEERLITLVI |
1AX3 Chain:A ((17-135)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SPITGEIHPITDVPDQVFSGKMMGDGFAILPSEGIVVSPVRGKILNVFPTKHAIGLQSDGGREILIHFGIDTVSLKGEGFTSFVSEGDRVEPGQKLLEVDLDAVKPNVPSLMTPIVFTN-------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1AX3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -79854 for 935 contacts (-85.4/contact) +
2D Compatibility (PS) -13192 + (NN) -5136 + (LL) 36432
1D Compatibility (HY) -10800 + (ID) 2700
Total energy: -75250.0 ( -80.48 by residue)
QMean score : 0.515
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