Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MIDRKLLLQDFDKVALSLKKRNHAMDDELERLREAIAHYKKQLIELEGLQAFQNKVSKEFGIKMAQKMDTSDLKKELENNKIKLNELSKSVGEAEQEMDLKLSIIPNLVDEKTPLGASEEDNIEIKKILTPRNFTFKPKEHFELAQQNGWIDFESGVKLAKSRFSVIRGFGAKIYRALIHLMLDFNEKNGFEIIYTPALVNEKMLFGTGQLPKFKEDVFKIENENLYLIPTAEVTLTNLYNDTIISVENLPIKMTAHTPCFRSEAGSAGKDTRGMIRQHQFDKVELVAITHP--KESDAMQEHMLESASEILKALELPHRFVQLCSGDLGFSASNTIDIEVWLPGQNCYREISSVSNTRDFQARRAKIRFKEN-QKNQLVHTLNGSSLAVGRTMVALMENHQQADGSIHIPKALEKYL |
3ERR Chain:A ((179-521)) | -------------------------------------------------------------------------LKRVEPLRNELQKLEDDAKDNQQKLEALLLQVPLPPWPGAPVGGEE-ANREIKRVGGPPEFSFPPLDHVALMEKNGWWEP-RISQVSGSRSYALKGDLALYELALLRFAMDFMARRGFLPMTLPSYAREKAFLGTGHFPAYRDQVWAIAETDLYLTGTAEVVLNALHSGEILPYEALPLRYAGYAPAFRSEAGSFGKDVRGLMRVHQFHKVEQYVLTEASLEASDRAFQELLENAEEILRLLELPYRLVEVATGDMGPGKWRQVDIEVYLPSEGRYRETHSCSALLDWQARRANLRYRDPEGRVRYAYTLNNTALATPRILAMLLENHQLQDGRVRVPQALIPYM |
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General information:
TITO was launched using:
| RESULT:
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Template: 3ERR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -108789 for 2708 contacts (-40.2/contact) +
2D Compatibility (PS) -37148 + (NN) -17484 + (LL) 6812
1D Compatibility (HY) -20800 + (ID) 6400
Total energy: -183809.0 ( -67.88 by residue)
QMean score : 0.448
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