Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTRYDSLLQALGNTPLVGLQRLSPRWDDGRDGPHVRLWAKLEDRNPTGSIKDRPAVRMIEQAEADGLLRPG-ATILEPTSGNTGISLAMAARLKGYRLICVMPENTSVERRQLLELYGAQIIFSAAEGGSNTAVATAKELAATNPSWVMLYQYGNPANTDSHYCGTGPELLADLPE-ITHFVAGLGTTGTLMGTGRFLREHVANVKIVAAEPRYGEG-------VYALRNMDEGFVPELYDPEILTARYSVGAVDAVRRTRELVHTEGIFAGISTGAVLHAALGVGAGALAAGERADIALVVADAGWKYLSTGAYAGSLDDAETALEGQLWA |
3VC3 Chain:A ((25-337)) | --IKKHVSQLIGRTPLVYLNKVTEGC-------GAYVAVKQEMMQPTASIADRPAYAMITDAEEKNLITPGKTTLIEPTSGNMGISMAFMAAMKGYKMVLTMPSYTSLERRVTMRAFGAELILTDPAKGMGGTVKKAYELLENTPNAHMLQQFSNPANTQVHFETTGPEIWEDTNGQVDIFVMGIGSGGTVSGVGQYLKSKNPNVKIYGVEPSESNVLNGGKPGPHHITGNGVGFKPDILDLDVMEKVLEVSSEDAVNMARVLALKEGLMVGISSGANTVAALRLA-QLPEN-KGKLIVTVHPSFGERYLSSVLFQELRQEAEN-------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3VC3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -132496 for 2854 contacts (-46.4/contact) +
2D Compatibility (PS) -32913 + (NN) -8217 + (LL) 468
1D Compatibility (HY) -16000 + (ID) 5600
Total energy: -194758.0 ( -68.24 by residue)
QMean score : 0.489
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