Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSQNFSFRQAAVIGAGTMGRGIVMCLANAGLDVQWLDSNPQMLNQALGAVADTYAHNVRQGRIGEEEAAARRARITPVQHLAAMREADLVIEAVYENLELKQSIFRELDAALKPSAVLASNTSYLDIDAIAAVTARPRQVLGLHFFSPAHIMRLLEIVRGAQTAPAVLEAALALGERMGKVSVVAGNCHGFIGNRMLEPYATEARLMLLEGALPYQVDRALQAFGFAMGPFRMYDVVGIDLEWRARELAGVGQDQPAVQVDNR------LCEMGRFGQKSGAGYYRYAPGSRQAEHDTEVDALVLRVAETLGYPRRDFADEEILERCLLALVNEGAKILDEGIAARSADIDTVYLNGYGFPAAEGGPMAWADRLGAADLLQRLRFLEQRHGARWKPASLVERLAAEGGAFADLQEVR |
1WDK Chain:B ((315-713)) | -------KQAAVLGAGIMGGGIAYQSASKGTPILMKDINEHGIEQGLAEAAKLLVGRVDKGRMTPAKMAEVLNGIRPTLSYGDFGNVDLVVEAVVENPKVKQAVLAEVENHVREDAILASNTSTISISLLAKALKRPENFVGMHFFNPVHMMPLVEVIRGEKSSDLAVATTVAYAKKMGKNPIVVNDCPGFLVNRVLFPYFGGFAKLVSAGVDFVRIDKVMEKFGWPMGPAYLMDVVGIDTGHHGRDVMAEG--FPDRMKDDRRSAIDALYEAKRLGQKNGKGFYAYE-AD----QKKLVDSSVLEVLKPIVYEQRDVTDEDIINWMMIPLCLETVRCLEDGIVETAAEADMGLVYGIGFPLFRGGALRYIDSIGVAEFVA-LADQYAELGALYHPTAKLREMAKNGQSF------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1WDK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -226008 for 3356 contacts (-67.3/contact) +
2D Compatibility (PS) -42918 + (NN) -22119 + (LL) 1688
1D Compatibility (HY) -30000 + (ID) 6600
Total energy: -325957.0 ( -97.13 by residue)
QMean score : 0.547
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