Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSIRYESVENLLTLIKDKKIKPSDVVKDIYDAIEETDPTIKSFLALDKENAIKKAQELDELQAKDQMDGKLFGIPMGIKDNIITNGLETTCASKMLEGFVPIYESTVMEKLHKENAVLIGKLNMDEFAMGGSTETSYFKKTVNPFDHKAVPGGSSGGSAAAVAAGLVPLSLGSDTGGSIRQPAAYCGVVGMKPTYGRVSRFGLVAFASSLDQIGPLTRNVKDNAIVLEAISGADVNDSTSAPVDDVDFTSEIGKDIKGLKVALPKEYLGEGVADDVKEAVQNAVETLKSLGAVVEEVSLPNTKFGIPSYYVIASSEASSNLSRFDGIRYGYHSKEAHSLEELYKMSRSEGFGKEVKRRIFLGTFALSSGYYDAYYKKSQKVRTLIKNDFDKVFENYDVVVGPTAPTTAFNLGEEIDDPLTMYANDLLTTPVNLAGLPGISVPCGQSNGRPIGLQFIGKPFDEKTLYRVAYQYETQYNLHDVYEKL |
2GI3 Chain:A ((7-466)) | --FRKLTIEECLKLSE---EEREKLPQLSLETIKRLDPHVKAFISVRENVS------------VE-KKGKFWGIPVAIKDNILTLGMRTTCASRILENYESVFDATVVKKMKEAGFVVVGKANLDEFAMGSSTERSAFFPTRNPWDLERVPGGSSGGSAAAVSAGMVVAALGSDTGGSVRQPASLCGVVGYKPTYGLVSRYGLVAFASSLDQIGPITKTVRDAAILMEIISGRDENDATTVNRKVD-FLSEIEEGVSGMKFAVPEEIYEHDIEEGVSERFEEALKLLERLGAKVERVKIPHIKYSVATYYVIAPAEASSN-------------------------TRNVGFGEEVRRRIMIGTFTLSAAYYEAYFNKAMKVRRKISDELNEVLSQYDAILTPTSPVTAFKIGEIKD-PLTYYLMDIFTIPANLAGLPAISVPFGFSNNLPVGVQVIGRRFADGKVFRIARAIEKNSPYNEN---- |
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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) -93661 for 4130 contacts (-22.7/contact) +
2D Compatibility (PS) -45810 + (NN) -8507 + (LL) 3696
1D Compatibility (HY) -41600 + (ID) 10650
Total energy: -196532.0 ( -47.59 by residue)
QMean score : 0.391
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