Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKYEQLAKDILKNVGGKENINSVFHCITRLRFKLKDENIANTKEIEKLDGVISVIKSGGQYQVVIGNHVPDVFKAVLEVGGISAEGDEGSSAPATGNIFNRFIDMISGVFTPVLGVLAATGMIKGFTAMFVAFGWITVTSGTYQLLYAIGDCLFYFFPIFLGYTAMKKFGGNIFIGMAIGGALVYPTLAGITAGDPLYTLFAGTIFESPIHVTFLGIPVILMSYASSVIPIIVATYFGSKVEKGFKKIIPDVIKTFVVPFCTLLIVVPITFIVIGPIATWAGQLLGAGTIWVYNLSPIIAGLILGGFWQVFVIFGLHWGLVPVAINNLTVLGHDPILAMTFGASFAQIGAVLAVFFKSRNKKIKSLSIPAFISGIFGVTEPAIYGVTLPLKKPFIMSCIAGGIGGGIIGFAGSQTYIMGGLGIFGLPNFFKPGSGISGEFWWVVIAIVISFILGFILTYVVGFKDPADVVVEQSNTVEGETLIERETIPAPVVGEIVTLADVKDEAFSSGALGKGVAIIPTVGRVVAPAAGTVTTIFPTGHAIGITTKDGAEVLIHIGMDTVQLEGKFFTAHVKQGDVIEKGQLLTEFDIEGIKAAGYDVTTPVVVTNSNQYLDVMITDAKEAKLE-ERLITLVI |
3OUR Chain:B ((20-168)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AIEIIAPLSGEIVNIEDVPDVVFAEKIVGDGIAIKPTGNKMVAPVNGTIGKIFETNHAFSIESDDGVELFVHFGIDTVELKGEGFTRIAEEGQTVKAGDTVIEFDLALLEEKAKSTLTPVVISNMDEIKELNKL-SGSVVVGETPVLRVT- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3OUR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -123592 for 1246 contacts (-99.2/contact) +
2D Compatibility (PS) -15579 + (NN) -240 + (LL) 33448
1D Compatibility (HY) -10400 + (ID) 2500
Total energy: -118863.0 ( -95.40 by residue)
QMean score : 0.538
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