Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MTAALPDLSFHPAWHAQLELAYARAGDATRPVTRRHAGPL-RVQKH---------LYAEGPEVCQHILVHPPG---GIAGGDSLAFDVRLGERAWAQLTSPGAAKWY---RAACPARQT-----------LEIHLEPGATLE-----------------WLPQ-ES---IVFAGAQAELETRIQLRGD-ARLFYWD----MVALGRPASGERFASGHFVAALDIRRDDRL------------------LWHERQRIDGGDRLL------DSPIGLAGHPVLATLVASGE-----------------IDTDLLQRCRALPCAGRGNLSQLP--GGLLVARC----------LADEALHARAWLI--------ELWRL-LRPALLGREAVPPRIWST--------------- |
| 3BWS Chain:A ((27-433)) | -GTEIVKFSIHPYKGTVIRLGEEILPFKVLEMDKNIALVEMAIPVYKDEKEIELKLSSPGFQNSSYRIRKPEELNEKLIALDKEGITHRFISRFKTGF-QPKSVRFIDNTRLAIPLLEDEGMDVLDINSGQTVRLSPPEKYKKKLGFVETISIPEHNELWVSQMQANAVHVFDLKTLAYKATVDLTGKWSKILLYDPIRDLVYCSNWIS-EDISVIDRKTKLEIRKTDKIGLPRGLLLSKDGKELYIAQFSASNQESGGGRLGIYSMDKEKLIDTIGPPGNKRHIVSGNTENKIYVSDMCCSKIEVYDLKEKKVQKSIPVFDKPNTIALSPDGKYLYVSCRGPNHPTEGYLKKGLVLGKVYVIDTTTDTVKEFWEAGNQPTGLDVSPDNRYLVISDFLDHQIRVYRRDGF |
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General information:
TITO was launched using:
| RESULT:
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Template: 3BWS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -58933 for 1789 contacts (-32.9/contact) +
2D Compatibility (PS) -28270 + (NN) 6053 + (LL) 88
1D Compatibility (HY) -11600 + (ID) 2650
Total energy: -95312.0 ( -53.28 by residue)
QMean score : -0.016
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