Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSIRYESVENLLTLIKDKKIKPSDVVKDIYDAIEETDPTIKSFLALDKENAIKKAQELDELQAKDQMDGKLFGIPMGIKDNIITNGLETTCASKMLEGFVPIYESTVMEKLHKENAVLIGKLNMDEFAMGGSTETSYFKKTVNPFDHKAVPGGSSGGSAAAVAAGLVPLSLGSDTGGSIRQPAAYCGVVGMKPTYGRVSRFGLVAFASSLDQIGPLTRNVKDNAIVLEAISGADVNDSTSAPVDDVDFTSEIGKDIKGLKVALPKEYLGEGVADDVKEAVQNAVETLKSLGAVVEEVSLPNTKFGIPSYYVIASSEASSNLSRFDGIRYGYHSKEAHSLEELYKMSRSEGFGKEVKRRIFLGTFALSSGYYDAYYKKSQKVRTLIKNDFDKVFENYDVVVGPTAPTTAFNLGEEIDDPLTMYANDLLTTPVNLAGLPGISVPCGQSNGRPIGLQFIGKPFDEKTLYRVAYQYE--TQYNLHDVYEKL |
2GI3 Chain:A ((5-464)) | LDFRKLTIEECLKLSEEEREKLPQLS---LETIKRLDPHVKAFISVRENVSVEK-------------KGKFWGIPVAIKDNILTLGMRTTCASRILENYESVFDATVVKKMKEAGFVVVGKANLDEFAMGSSTERSAFFPTRNPWDLERVPGGSSGGSAAAVSAGMVVAALGSDTGGSVRQPASLCGVVGYKPTYGLVSRYGLVAFASSLDQIGPITKTVRDAAILMEIISGRDENDATTVN-RKVDFLSEIEEGVSGMKFAVPEEIYEHDIEEGVSERFEEALKLLERLGAKVERVKIPHIKYSVATYYVIAPAEASSN-------------------------TRNVGFGEEVRRRIMIGTFTLSAAYYEAYFNKAMKVRRKISDELNEVLSQYDAILTPTSPVTAFKIG-EIKDPLTYYLMDIFTIPANLAGLPAISVPFGFSNNLPVGVQVIGRRFADGKVFRIARAIEKNSPYN-------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2GI3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -90000 for 4110 contacts (-21.9/contact) +
2D Compatibility (PS) -45486 + (NN) -8030 + (LL) 4304
1D Compatibility (HY) -46000 + (ID) 11000
Total energy: -196212.0 ( -47.74 by residue)
QMean score : 0.420
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