Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKVGIDAGGTLIKIVQEQDNQRTFKTELTKNIDQVVEWLNQQQIEKL-CLTGGNAGVIAENINIPAQIFVEFDAASQGLGILLKEQGHDLADYIFANVGTGTS-LHYFDGQSQRRVGGIGTGGGMIQGLGYLLSQITDYKQLTDMAQHGDRNTIDLKVRHIY-KDTEP-PIPGDLTAANFGHVLHHLDADFTPSNKLA-AVIGVVGEVVTTMAITVAREFKTENIVYIGSSFHNNALLRKVVE---DYTVLRGCKPYYVENGAFSGAIGALYLGK |
3SMS Chain:A ((141-373)) | --------------------------------------LHLHKLDELDCLVKGLLYIDSVSFNGQAECYYFANASEPERCQKMPFNLDDPYPLLVVNIGSGVSILAVHSKDNYKRVTGTSLGGGTFLGLCSLLTGCESFEEALEMASKGDSTQADKLVRDIYGGDYERFGLPGWAVASSFGNMIYKEKRESVSKEDLARATLVTITNNIGSVARMCAVNEKINRVVFVGNFLRVNTLSMKLLAYALDYWSKGQLKALFLEHEGYFGAVGAL---- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3SMS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -82374 for 1735 contacts (-47.5/contact) +
2D Compatibility (PS) -23864 + (NN) -6126 + (LL) 3188
1D Compatibility (HY) -11600 + (ID) 3000
Total energy: -123776.0 ( -71.34 by residue)
QMean score : 0.303
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