Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSLWLEASMPDVSPDSATELWKTEPQDAGDQGGNTCILREEARMPQSTGVALGIGLESAEPTALLPRAETLPEPTELRPQKRKKGPAPKMLGNELCSVCGDKASGFHYNVLSCEGCKGFFRRSVIKGARYVCHSGGHCPMDTYMRRKCQECRLRKCRQAGMREECVLSEEQIRLKKLKRQEEEQAQATSVSPRVSSPPQVLPQLSPEQLGMIEKLVAAQQQCNRRSFSDRLRVTPWPIAPDPQSREARQQRFAHFTELAIVSVQEIVDFAKQLPGFLQLSREDQIALLKTSAIEVMLLETSRRYNPGSESITFLKDFSYNREDFAKAGLQVEFINPIFEFSRAMNELQLNDAEFALLIAISIFSADRPNVQDQLQVERLQHTYVEALHAYVSINHPHDRLMFPRMLMKLVSLRTLSSVHSEQVFALRLQDKKLPPLLSEIWDVHE |
3IPU Chain:A ((40-281)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PQLSPEQLGMIEKLVAAQQQCNRRSFSDRLRVTPWP----PHSREARQQRFAHFTELAIVSVQEIVDFAKQLPGFLQLSREDQIALLKTSAIEVMLLETSRRYNPGSESITFLKDFSYNREDFAKAGLQVEFINPIFEFSRAMNELQLNDAEFALLIAISIFSADRPNVQDQLQVERLQHTYVEALHAYVSIHHPHDRLMFPRMLMKLVSLRTLSSVHSEQVFALRLQDKKLPPLLSEIWDV-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3IPU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -132046 for 1803 contacts (-73.2/contact) +
2D Compatibility (PS) -26429 + (NN) -22076 + (LL) 11792
1D Compatibility (HY) -34800 + (ID) 11800
Total energy: -215359.0 ( -119.44 by residue)
QMean score : 0.678
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