Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNVKKHHLAYGAITLVALFSCILAVMVIFKSSQVTTESLSKADKVRVAKKSKMTKATSKSKVEDVKQAPKPSQASNEAPKSSSQSTEANSQQQVTASEEAAVEQAVVTENTPATSQAQQAYAVTETTYRPAQHQTSGQVLSNGNTAGAIGSAAAAQMAAATGVPQSTWEHIIARESNGNPNVANA----SGASGLFQTMPGWGSTAT--------------------VQDQVNSAIKAYRA-QGLSAWGY |
1JUG Chain:A ((18-109)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------NGYQHITLPNWVCTAFHESSYNTRATNHNTDGSTDYGILQINSRYWCHDGKTPGSKNACNISCSKLLDDDITDDLKCAKKIAGEAKGLTPWVA |
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General information:
TITO was launched using:
| RESULT:
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Template: 1JUG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -13728 for 407 contacts (-33.7/contact) +
2D Compatibility (PS) -7161 + (NN) -2509 + (LL) 11916
1D Compatibility (HY) -1200 + (ID) 700
Total energy: -13382.0 ( -32.88 by residue)
QMean score : 0.616
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