Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSIRYESVENLLTLIKDKKIKPSDVVKDIYDAIEETDPTIKSFLALDKENAIKKAQELDELQAKDQMDGKLFGIPMGIKDNIITNGLETTCASKMLEGFVPIYESTVMEKLHKENAVLIGKLNMDEFAMGGSTETSYFKKTVNPFDHKAVPGGSSGGSAAAVAAGLVPLSLGSDTGGSIRQPAAYCGVVGMKPTYGRVSRFGLVAFASSLDQIGPLTRNVKDNAIVLEAISGADVNDSTSAPVDDVDFTSEIGKDIKG----LKVALPKEYLGEGVADDVKEAVQNAVETLKSLGAVVEEVSLPNTKFGIPSYYVIASSEASSNLSRFDGIRYGYHSKEAHSLEELYKMSRSEGFGKEVKRRIFLGTFALSSGYYDAYYKKSQKVRTLIKNDFDKVFENYDVVVGPTAPTTAFNLGEEIDDPLTMYANDLLTTPVNLAGLPGISVPCGQSNGRPIGLQFIGKPFDEKTLYRVAYQYETQYNLHDVYEKL |
3KFU Chain:E ((10-455)) | --------------VARGEVSPLEVAQAYLKRVQELDPGLGAFLSLN-ERLLEEAEAVDP-------GLPLAGLVVAVKDNIATRGLRTTAGSRLLENFVPPYEATAVARLKALGALVLGKTNLDEFGMGSSTEHSAFFPTKNPFDPDRVPGGSSGGSAAALAADLAPLALGSDTGGSVRQPAAFCGVYGLKPTYGRVSRFGLIAYASSLDQIGPMARSVRDLALLMDAAAGPDPLDATS-----LDLPPRFQEALEGPLPPLRLGVVREALA-GNSPGVERALEEALKVFRELGLSVREVSWPSLPQALAAYYILAPAEASSNLARYDGTLYGRRAA-GEEVEGMMEATRAL-FGLEVKRRVLVGTFVLSSGYYEAYYGRAQAFRRRLKAEAQALFREVDLLLLPTTPHPAFPFGAR-RDPLAMYREDLYTVGANLTGLPALSFPAGFEGHLPVGLQLLAPWGEDERLLRAALAFE------------ |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3KFU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -100998 for 4242 contacts (-23.8/contact) +
2D Compatibility (PS) -46820 + (NN) -9609 + (LL) 3508
1D Compatibility (HY) -38800 + (ID) 10150
Total energy: -202869.0 ( -47.82 by residue)
QMean score : 0.415
|
|
|