Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MVVADYLALFAVICIWGLLLINIVLIVAGYVYYLKNEARKVPEIPVEVPFVSVMVPAHNEG-KVIVKTVESLLAFDYPVDRYEIIVINDNSS-DNSAELLAAIQAKNPTRFLKIINTDNITGGKGKSNALNIGFAESRGELVAIYDADNTPERQALRILVGEITNDAKLGAVIGKFRTRNRNASWLTRFINIETLSFQWMAQAG-------RWAL-FKLCTIP------------------GTNFIVRRSLLEEIGGWDVKAV---AEDTEISFRIYMMGYRIKFQAKAVTWEQEPQTLPVWFKQRSRWAKGNIYVILKNVPLLFKREGRRVRFDILYFLSIYFLLLTSLIVSDVLLVLYALGLVHTTLAGLSGALWLLAILLFVAGTFITLTTEKGEISFSNLLFIMLMYVTYCQLWMVVAAYGFFIFLKDTVLKRETKWYKTERF |
2D7I Chain:A ((111-328)) | -----------------------------------------------LPNTSIIIPFHNEGWSSLLRTVHSVLNRSPPELVAEIVLVDDFSDREHLKKPLEDYMALFPS--VRILRTKKR---EGLIRTRMLGASVATGDVITFLDSHCEANVNWLPPLLDRI--------------ARNRKTIVCPMIDVIDHDDFRYETQAGDAMRGAFDWEMYYKRIPIPPELQKADPSDPFESPVMAGGLFAVDRKWFWELGGYDPGLEIWGGEQYEISFKVWMCGGRME------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2D7I.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -70157 for 1388 contacts (-50.5/contact) +
2D Compatibility (PS) -20746 + (NN) -9267 + (LL) 22524
1D Compatibility (HY) -12400 + (ID) 2800
Total energy: -92846.0 ( -66.89 by residue)
QMean score : 0.301
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