Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MIDRKLLLQDFDKVALSLKKRNHAMDDELERLR------EAIAHYKKQLIELEGLQAFQNKVSKEFGIKMAQKMDTSDLKKELENNKIKLNELSKSVGEAEQEMDLKLSIIPNLVDEKTPLGASEEDNIEIKKILTPRNFT--------------------FKPKEHFELAQQNGWIDFESGVKLAKSRFSVIRGFGAKIYRALIHLMLDFNEKNGFEIIYTPALVNEKMLFGTGQLPKFKEDVFKIENENLYLIPTAEVTLTNLYNDTIISVENLPIKMTAHTPCFRSEAGSAGKDTRGMIRQHQFDKVELVAITHPKESDAMQEHMLESASEILKALELPHRFVQLCSGDLGFSASNTIDIEVWLPGQNCYREISSVSNTRDFQARRAKIRFKE--NQKNQLVHTLNGSSLAVGRTMVALMENHQQADGSIHIPKALEKYL |
2ZR3 Chain:A ((1-437)) | MLDIKLIRENPELVKNDLIKRG-----ELEKVKWVDEILKLDTEWRTKLKEINRLRHERNKIAVEIGKRRKKGEPVDELLAKSREIVKRIGELENEVEELKKKIDYYLWRLPNITHPSVPVGKDENDNVPIRFWGKARVWKGHLERFLEQSQGKMEYEILEWKPKLHVDLLEILGGADFARAAKVSGSRFYYLLNEIVILDLALIRFALDRLIEKGFTPVIPPYMVRRFVEEGSTSFEDFEDVIYKVEDEDLYLIPTAEHPLAGMHANEILDGKDLPLLYVGVSPCFRKEAGTAGKDTKGIFRVHQFHKVEQFVYSRPEESWEWHEKIIRNAEELFQELEIPYRVVNICTGDLGYVAAKKYDIEAWMPGQGKFREVVSASNCTDWQARRLNIRFRDRTDEKPRYVHTLNSTAIATSRAIVAILENHQEEDGTVRIPKVLWKYT |
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General information:
TITO was launched using:
| RESULT:
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Template: 2ZR3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -93262 for 3296 contacts (-28.3/contact) +
2D Compatibility (PS) -44310 + (NN) -23906 + (LL) 244
1D Compatibility (HY) -29200 + (ID) 7550
Total energy: -197984.0 ( -60.07 by residue)
QMean score : 0.452
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