Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTDPQTQSTRVGVVAESGPDERRVALVPKAVASLVNRGVAVVVEAGAGERALLPDELYTAVGASIGDAWAADVVVKVAPPTAAEVGRLRGGQTLIGFLAPRNADNSIGALTQAGVQAFALEAIPRISRAQVMDALSSQANVSGYKAVLLAASESTRFFPMLTTAAGTVKPATVLVLGVGVAGLQALATAKRLGARTTGYDVRPEVADQVRSVGAQWLDLGISASGEGGYARELTDDERAQQQKALEEAISGFDVVITTALVPGRPAPTLVTAAAVEAMKPGSVVVDLAGETGGNCELTEPGRTVVKHDVTIAAPLNLPATMPEHASELYSKNITALLDLLIKDGRLAPDFDDEVIAQSCVTRGKDS |
3P2Y Chain:A ((20-377)) | -----GSMTLIGVPRESAEGERRVALVPKVVEKLSARGLEVVVESAAGAGALFSDADYERAGATIGDPWPADVVVKVNPPTSDEISQLKPGSVLIGFLAPRTQPELASRLRIADVTAFAMESIPRISRAQTMDALSSQANVAGYKAVLLGASLSTRFVPMLTTAAGTVKPASALVLGVGVAGLQALATAKRLGAKTTGYDVRPEVAEQVRSVGAQWLDLG-------------SEAERAQQQQALEDAITKFDIVITTALVPGRPAPRLVTAAAATGMQPGSVVVDLAGETGGNCELTEPGRTIVHHGVTITSPLNLPATMPEHASELYAKNVTALLDLLLTDDGVAPDFTDEIVAASCITRT--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3P2Y.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -242297 for 3058 contacts (-79.2/contact) +
2D Compatibility (PS) -38053 + (NN) -20984 + (LL) 620
1D Compatibility (HY) -36000 + (ID) 12500
Total energy: -349214.0 ( -114.20 by residue)
QMean score : 0.598
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