Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MEQYKEVHINSLNKEELEKLAK---MGQLIDVRTKEEYELGHINGSTLHPVEEI-K-SFNKNSNKTYYIHCKSGNRSTKACDYLAKQGYDVVNLKGGYKDYEAKNFNSAPLIEKDIEIKENRKQFDFRGLQCPGPIVNISKEINNISTGEQIEVTVTDPGFNSDIKSWAKQTGNTLVNLTEEANVINAIIQKEKPKEFEINDTATGTTIVLFSGELDKAVAAMIIANGAKAAGKDVTIFFTFWGLNALKKAQSTRVKKKGISKMFDLMLPKDPIHMPLSKMNMFGLGNIMMRYVMNKKNVDSLYSLIDQAIDQDIKLIACTMSMDVMGISKEELRDEVDYGGVGTYIGHTEQANHNLFI |
3IWH Chain:A ((2-102)) | ---------KSITTDELKNKLLESKPVQIVDVRTDEETAMGYIPNAKLIPMDTIPDNLNSFNKNEIYYIVCAGGVRSAKVVEYLEANGIDAVNVEGGMHAWGDEGLEIKS--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3IWH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -18130 for 704 contacts (-25.8/contact) +
2D Compatibility (PS) -10645 + (NN) -5051 + (LL) 18040
1D Compatibility (HY) -7200 + (ID) 1650
Total energy: -24636.0 ( -34.99 by residue)
QMean score : 0.438
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