Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | LDIQESVIGIDLGGTKILIGEVTKDGEVLNSKSYPSNTENQTK-ATETLLKVLADYTQNIGFIAPKQTGIGVGLVGRVDHKSGVW-LEIEPGKSNPTPLAGILEAKTGLPVSLGNDVVCATMAEKQFGWGRETNDFIYLNVGTGLAAGFVVDGRITQGGHFNAGEVGHAVVDIHSDVLCGCGRRGCVERLASGLGIKEEALRHLNSYPTSI--L--A--ETQTELTGKMVLHAAEQKDELAEKIIDNATFQLANLIMNLVRTTDPECVILGGGVTRNEH-FFQKIQDNLQSNTIR-F--VTKGVVRSKLEKDKVGLIGAAVIGMRLGNEGGKE |
3VGL Chain:A ((2-313)) | ----GLTIGVDIGGTKIAAGVVDEEGRILSTFKVATPP--TAEGIVDAICAAVAGAS-----EGHDVEAVGIGAAGYVDDKRATVLFAPNIDWR-HEPLKDKVEQRVGLPVVVENDANAAAWGEYRFGAGQGHDDVICITLGTGLGGGIIIGNKLRRGRFGVAAEFGHIRVVP-DGLLCGCGSQGCWEQYASGRALVRYAKQRANATPENAAVLLGLGDGSVDGIEGKHISEAARQGDPVAVDSFRELARWAGAGLADLASLFDPSAFIVGGGVSDEGELVLDPIRKSFRRWLIGGEWRPHAQVLAAQLG-GKAGLVGAADLARQG------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3VGL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -175611 for 2856 contacts (-61.5/contact) +
2D Compatibility (PS) -32677 + (NN) -21381 + (LL) 356
1D Compatibility (HY) -10800 + (ID) 4300
Total energy: -244413.0 ( -85.58 by residue)
QMean score : 0.447
|
|
|