Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MVLPTVAIVGRPNVGKSTLFNRIAGERISIVEDVEGVTRDRIYTTGEWLNRKFSLIDTGGIDDVDAP-FMEQIKHQADIAMTEADVIVFVVSGKEGVTDADEYVSLILYKTNKPVILAVNKVDNPEMR--NDIYDFYSLGLGDPYPLSSVHGIGTGDILDAIVENLPVEE-----ENENPDIIRFSLIGRPNVGKSSLINAILGEDRVIASPVAGTTRDAIDTNFVDSQGQEYTMIDTAGMRKSGKVYENTEKYSVMRSMRAIDRSDVVLMVINAEEGIREYDKRIAGFAHEAGKGIIIVVNKWDTIEKDSHTVSQWEADIRDNFQFLSYAPIIFVSAETKQRLHKLPDMIKRISESQNKRIPSAVLNDVIMDAIAINPTPTDKGKRLKIFYATQVAVKPPTFVVFVNEEELMHFSYLRFLENQIRE-AFVFEGTPINLIARKRK |
1MKY Chain:A ((2-439)) | ---ATVLIVGRPNVGKSTLFNKLVK--------------DPVQDTVEWYGKTFKLVDTCGVFDNPQDIISQKMKEVTLNMIREADLVLFVVDGKRGITKEDESLADFLRKSTVDTILVANKAENLREFEREVKPELYSLGFGEPIPVSAEHNINLDTMLETIIKKLEEKGLDLESKPEITDAIKVAIVGRPNVGKSTLFNAILNKERALVSPIP------VDDEVFI-DGRKYVFVDTAGL----------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) -252458 for 3243 contacts (-77.8/contact) +
2D Compatibility (PS) -43055 + (NN) -7663 + (LL) 2188
1D Compatibility (HY) -33200 + (ID) 7450
Total energy: -341638.0 ( -105.35 by residue)
QMean score : 0.575
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