Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNDNEKRVLREIYNHHNISRTQISKNLEINKATISSILNKLKYKSLVNEVGEGDSTKSGGRKPILLKVNHLYGYFISLDLTYSSVEVMYNYFDGNVIKHESYDLPDEKVSSILSIIKK-HIDIQEKLDTYNGLLGVSVSIHGVVDNEQH-VTYLPFHETEGISIAKKIKEITNVPVVVENEANLSALYERNFNHNLSYNNLIALSIHKGIGAGLIINNQLYRGANGEAGEIGKTLVSKVSDNV-E-IFHKIEDIFSQEALLHNLSNQLNE-----------------KMTLSKLIQFYNEKNPVVVEEMEQFINKIAVLIHNLNTQFNPNAIYINCPLFNEMPEILEAIKNQFKQYSR-----NEIQIKLTSNVKFATLLGGTLAIIQKVLQINDIYLDIKA |
3VGL Chain:A ((2-313)) | ------------------------------------------------------------------------GLTIGVDIGGTKIAAGVVDEEGRILSTFKVATPP-TAEGIVDAICAAVAGAS----EGHDVEAVGIGAAGYVDDKRATVLFAPNIDWRHEPLKDKVEQRVGLPVVVENDANAAAWGEYRFGAGQGHDDVICITLGTGLGGGIIIGNKLRRGRFGVAAEFGHIRVVPDGLLCGCGSQGCWEQYASGRALVRYAKQRANATPENAAVLLGLGDGSVDGIEGKHISEAARQGDPVAVDSFRELARWAGAGLADLASLFDPSAFIVGGGVSDEGELVLDPIRKSFRRWLIGGEWRPHAQVLAAQLGGKAGLVGAADLARQG------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3VGL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -184010 for 2721 contacts (-67.6/contact) +
2D Compatibility (PS) -30894 + (NN) -13013 + (LL) 5956
1D Compatibility (HY) -6000 + (ID) 3050
Total energy: -231011.0 ( -84.90 by residue)
QMean score : 0.451
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