Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGLVSSKKPDKEKPIKEKDKGQWSPLKVSAQDKDAPPLPPLVVFNHLTPPPPDEHLDEDKHFVVALYDYTAMNDRDLQMLKGEKLQVLKGTGDWWLARSLVTGREGYVPSNFVARVESLEMERWFFRSQGRKEAERQLLAPINKAGSFLIRESETNKGAFSLSVKDVTTQGELIKHYKIRCLDEGGYYISPRITFPSLQALVQHYSKKGDGLCQRLTLPCVRPAPQNPWAQDEWEIPRQSLRLVRKLGSGQFGEVWMGYYKNNMKVAIKTLKEGTMSPEAFLGEANVMKALQHERLVRLYAVVTKEPIYIVTEYMARGCLLDFLKTDEGSRLSLPRLIDMSAQIAEGMAYIERMNSIHRDLRAANILVSEALCCKIADFGLARIIDSEYTAQEGAKFPIKWTAPEAIHFGVFTIKADVWSFGVLLMEVVTYGRVPYPGMSNPEVIRNLERGYRMPRPDTCPPELYRGVIAECWRSRPEERPTFEFLQSVLEDFYTATERQYELQP |
3EN6 Chain:B ((10-281)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KDAWEIPRESLRLEVKLGQ--FGEVWMGTWNGTTRVAIKTL-------------AQVMKKLRHEKLVQLYAVVS---IYIVTEYMSKGSLLDFLKGEMGKYLRLPQLVDMAAQIASGMAYVERMNYVHRDLRAANILVGENLVCKVADF-------------------IKWTAPEAALYGRFTIKSDVWSFGILLTELTTKGRVPYPGMVNREVLDQVERGYRMPCPPECPESLH-DLMCQCWRKDPEERPTFEYLQAFLEDYFTSTEPQYQPGE |
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General information:
TITO was launched using:
| RESULT:
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Template: 3EN6.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -205998 for 1838 contacts (-112.1/contact) +
2D Compatibility (PS) -24806 + (NN) -8884 + (LL) 14916
1D Compatibility (HY) -30400 + (ID) 7900
Total energy: -263072.0 ( -143.13 by residue)
QMean score : 0.491
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