Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSIRYESVENLLTLIKDKKIKPSDVVKDIYDAIEETDPTIKSFLALDKENAIKKAQELDELQAKDQMDGKLFGIPMGIKDNIITNGLETTCASKMLEGFVPIYESTVMEKLHKENAVLIGKLNMDEFAMGGSTETSYFKKTVNPFDHKAVPGGSSGGSAAAVAAGLVPLSLGSDTGGSIRQPAAYCGVVGMKPTYGRVSRFGLVAFASSLDQIGPLTRNVKDNAIVLEAISGADVNDSTSAPVDDVDFTSEIGKDIKGLKVALPKEYLGEGVADDVKEAVQNAVETLKSLGAVVEEVSLPNTKFGIPSYYVIASSEASSNLSRFDGIRYGYHSKEAHSLEELYKMSRSEGFGKEVKRRIFLGTFALSSGYYDAYYKKSQKVRTLIKNDFDKVFENYDVVVGPTAPTTAFNLGEEIDDPLTMYANDLLTTPVNLAGLPGISVPCGQSNGRPIGLQFIGKPFDEKTLYRVAYQYETQYNLHDVYEKL |
3H0L Chain:A ((5-475)) | -----KSLSELRELLKRGEVSPKEVVESFYDRYNQTEEKVKAYITPLYGKALKQAESLKERELP------LFGIPIAVKDNILVEGEKTTCASKILENFVAPYDATVIERLKKAGALIVGKTNLDEFAMGSSTEYSAFFPTKNPWDLERVPGGSSGGSAASVAVLSAPVSLGSDTGGSIRQPASFCGVIGIKPTYGRVSRYGLVAFASSLDQIGVFGRRTEDVALVLEVISGWDEKDSTSAKVPVPEWSEEVKKEVKGLKIGLPKEFFEYELQPQVKEAFENFIKELEKEGFEIKEVSLPHVKYSIPTYYIIAPSEASSNLARYDGVRYGYRAKEYKDIFEMYARTRDEGFGPEVKRRIMLGTFALSAGYYDAYYLKAQKVRRLITNDFLKAFEEVDVIASPTTPTLPFKFGERLENPIEMYLSDILTVPANLAGLPAISIPIAWKDGLPVGGQLIGKHWDETTLLQISYLWEQKFK-H--YEKI |
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General information:
TITO was launched using:
| RESULT:
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Template: 3H0L.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -119288 for 4592 contacts (-26.0/contact) +
2D Compatibility (PS) -49829 + (NN) -12695 + (LL) 936
1D Compatibility (HY) -46800 + (ID) 12900
Total energy: -240576.0 ( -52.39 by residue)
QMean score : 0.475
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