Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGAVSCRQGQHTQQGEHTRVAVPHKQGGNIRGPWARGWKSLWTGLGTIRSDLEELWELRGHHYLHQESLKPAPVLVEKPLPEWPVPQFINLFLPEFPIRPIRGQQQLKILGLVAKGSFGTVLKVLDCTQKAVFAVKVVPKVKVLQRDTVRQCKEEVSIQ-RQINHPFVHSLGDSWQGKRHLFIMCSYCST-DLYSLWSAVGCFPEASIRLFAAELVLVLCYLHDLGIMHRDVKMENILLDERGHLKLTDFGLSR-HVPQGAQAYTICGTLQYMGERG |
3HDM Chain:A ((32-207)) | --------------------------------------------------------------------------------------------------NPHAKPSDFHFLKVIGKGSFGKVLLARHKAEEVFYAVKVLQKKAIL-------------VLLKNVKHPFLVGLHFSFQTADKLYFVLDYINGGELFYHLQRERCFLEPRARFYAAEIASALGYLHSLNIVYRDLKPENILLDSQGHIVLTDFGLCKENIEHNSTTSTFCGTPEYLAPEV |
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General information:
TITO was launched using:
| RESULT:
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Template: 3HDM.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -90452 for 1047 contacts (-86.4/contact) +
2D Compatibility (PS) -16941 + (NN) -3389 + (LL) 6644
1D Compatibility (HY) -16000 + (ID) 2950
Total energy: -123088.0 ( -117.56 by residue)
QMean score : 0.376
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