Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAKPVVAIVGRPNVGKSTIFNRIVGERVSIVEDVPGVTRDRIYNSAEWLGKEFNIIDTGGIDLSDEP-FLEQIRAQAEIAIDEADVIIFITNGREGVTDADEQVAKILYRSNKPIVLAINKVDNPEMR--DQIYDFYSLGFGEPYPISGSHGLGLGDMLDAVRAHFPKEEE----EEYPDDTVKFSLIGRPNVGKSSILNALLGEDRVIVSDIAGTTRDAIDTTYTFDGQDYVMIDTAGMRKRGKVYESTEKYSVLRAMRAIERSDVVLVVINAEEGIREQDKRIAGYAHDAGRAIIIVVNKWDAINKDEKTINVWTEDIREQFQFLSYAPIVFVSAKTKQRLNNLFPLINQVSDNHSLRVQSSMLNDVISDAVAMNPSPMDKGKRLKIFYTTQVAVKPPTFVVFVNDPELMHFSYERFLENRIRE-AFPFEGTPIRVIARKRK |
1MKY Chain:A ((2-439)) | ---ATVLIVGRPNVGKSTLFNKLVK--------------DPVQDTVEWYGKTFKLVDTCGVFDNPQDIISQKMKEVTLNMIREADLVLFVVDGKRGITKEDESLADFLRKSTVDTILVANKAENLREFEREVKPELYSLGFGEPIPVSAEHNINLDTMLETIIKKLEEKGLDLESKPEITDAIKVAIVGRPNVGKSTLFNAILNKERALVSPIP------VDDEVFIDGRKYVFVDTAGL----------EKYSNYRVVDSIEKADVVVIVLDATQGITRQDQRMAGLMERRGRASVVVFNKWDLVVHREKRYDEFTKLFREKLYFIDYSPLIFTSADKGWNIDRMIDAMNLAYASYTTKVPSSAINSALQKVLAFTNLPR----GLKIFFGVQVDIKPPTFLFFVNSIEKVKNPQKIFLRKLIRDYVFPFEGSPIFLKFKRSR |
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General information:
TITO was launched using:
| RESULT:
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Template: 1MKY.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -280325 for 3256 contacts (-86.1/contact) +
2D Compatibility (PS) -43841 + (NN) -14097 + (LL) 1980
1D Compatibility (HY) -36000 + (ID) 7600
Total energy: -379883.0 ( -116.67 by residue)
QMean score : 0.603
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