Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNEEQLSKRLEKVASYITKNERIADIGSDHAYLPCFAVKNQTASFAIAGEVVDGPFQSAQKQVRSSGLTEHIDVRKGNGLAVIEKKDVIDTIVIAGMGGALIRTILEEGAAKLAGVTKLILQPNIAAWQLREWSEQNNWLITSEAILREDNKIYEIMVLAPSKKPVAWTKQEIFFGPCLLKDQSAIFKSKWRHEANTWQNIIQTISNNQPVSPENQAKIRELEHKIALVEDVLK |
3GNL Chain:A ((9-240)) | --EEQLSKRLEKVASYITKNERIADIGSDHAYLPCFAVKNQTASFAIAGEVVDGPFQSAQKQVRSSGLTEQIDVRKGNGLAVIEKKDAIDTIVIAGMGGTLIRTILEEGAAKLAGVTKLILQPNIAAWQLREWSEQNNWLITSEAILREDNKVYEIMVLAPSEKPVTWTKQEIFFGPCLLKEQSAIFKSKWRHEANTWQNIIQTISNNQPVSTENQAKIRELEHKIALVEDVLK |
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General information:
TITO was launched using:
| RESULT:
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Template: 3GNL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -48739 for 1841 contacts (-26.5/contact) +
2D Compatibility (PS) -24224 + (NN) -947 + (LL) 128
1D Compatibility (HY) -3200 + (ID) 4950
Total energy: -81932.0 ( -44.50 by residue)
QMean score : 0.307
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