Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGRAFEYRRAAKEKRWDKMSKVFPKLAKAITLAAKEGGSEPDTNAKLRTAILNAKAQNMPKDNIDAAIKRASSKEGNLSEITYEGKANFGVLIIMECMTDNPTRTIANLKSYFNKTQGASIVPNGSLEFMFNRKSVFECLKSEVENLKLSLEDLEFALIDYGLEELEEVGDKIIIRGDYNSFKLLNEGFESLRLPIIKAGLQRIAT-TP--IELNDEQMELTEKLLDRIEDDDDVVALYTNIE |
2KO1 Chain:A ((16-76)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NGMTNQITGVISKFDTNIRTIVLNAKDGIFTCNLMIFVKNTDKLTTLMDKLRKVQGVFTVERLSN |
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General information:
TITO was launched using:
| RESULT:
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Template: 2KO1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -12824 for 289 contacts (-44.4/contact) +
2D Compatibility (PS) -5937 + (NN) -719 + (LL) 12252
1D Compatibility (HY) -1600 + (ID) 250
Total energy: -9078.0 ( -31.41 by residue)
QMean score : 0.493
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