Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSEQTPEQPSTAPNPALQRQRASQLAQALRTELQKALIGQGAVIDDVLTALLAGGH---VLVEGVPGLGKTLLVRALARCFDGGFARIQFTPDLMPSDVTGHAVYDLASEQFKLRKGPVFTHLLLADEINRAPAKTQAALLEVMQERQVTLEGRALPVPQPFMVLATQNPIEQEGTYPLPEAELDRFMLKLRIDYPAEAEEQTLVRQVTRSARSDMLDVANLRPLLKDKDVLALQRIASDLPIDDQVLDYAVRLARTTRNWPGLALGAGPRASIALVRCGRARALLRGGEFVVPDDIKGCALAVLRHRVRLSPELDIEGLSVDQVLQQLLDQVPAPRV |
3PVS Chain:A ((15-196)) | --------------PLAARMRPENLAQYIG---QQHLLAAGKPLPRAIEA----GHLHSMILWGPPGTGKTTLAEVIARYANADVERISAV-------TSGVKEIREAIERARQNRNAGRRTILFVDEVHRF------AFLPHIEDGTIT-----------FIGATTENP-----SFELNSALLSRARVYLLKSLSTEDIEQVLTQAMEDKTR----------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PVS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -74800 for 1114 contacts (-67.1/contact) +
2D Compatibility (PS) -17298 + (NN) -7462 + (LL) 11184
1D Compatibility (HY) -4000 + (ID) 2350
Total energy: -94726.0 ( -85.03 by residue)
QMean score : 0.382
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