Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MVLPTVAIVGRPNVGKSTLFNRIAGERISIVEDVEGVTRDRIYTTGEWLNRKFSLIDTGGIDDVDAPFMEQIKHQADIAMTEADVIVFVVSGKEGVTDADEYVSLILYKTNKPVILAVNKVDNPEMRNDIYDFYSLGLGDPYPLSSVHGIGTGDILDAIVENLPVEEENENPDIIRFSLIGRPNVGKSSLINAILGEDRVIASPVAGTTRDAIDTNFVDSQGQEYTMIDTAGMRKSGKVYENTEKYSVMRSMRAIDRSDVVLMVINAEEGIREYDKRIAGFAHEAGKGIIIVVNKWDTIEKDSHTVSQWEADIRDNFQFLSYAPIIFVSAETKQRLHKLPDMIKRISESQNKRIPSAVLNDVIMDAIAINPTPTDKGKRLKIFYATQVAVKPPTFVVFVNEEELMHFSYLRFLENQIREAFVFEGTPINLIARKRK |
1MKY Chain:A ((2-166)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ATVLIVGRPNVGKSTLFNKLVK--------------DPVQDTVEW-YGKTFKLVDTCGVFDNPQDI-ISQKM-KEVTLNMIREADLVLFVVDGKRGITKEDESLADFLRKSTVDTILVANKAENLREFE---RE----VKPELYSLGFGEPIPVSAEHNINLDTMLETIIKKLEEKGLDLESKPEITDAIKVAIVGRPNVGKSTLFNAILNKERALVSPIPVDDEVFIDGRKYVFVDTAGLEKYSNYRVVDSIEKADVVVIV |
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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) -96600 for 1163 contacts (-83.1/contact) +
2D Compatibility (PS) -16312 + (NN) -3886 + (LL) 11916
1D Compatibility (HY) -10400 + (ID) 1950
Total energy: -117232.0 ( -100.80 by residue)
QMean score : 0.522
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