Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDRYCVFGNPIGHSKSPLIHRLFAEQTGEALVYDAQLAPLDDFPGFARRF-FEQGKGANVTVPFKEEAYRLVDELSERATRAGAVNTLIRLADGRLRGDNTDGAGLLRDLTANAGVELRGKRVLLLGAGGAVRGVLEPFLGECPAELLIANRTARKAVDLAERFADLGAVHGCGFAEVEG-PFDLIVNGTSASLAGDVPPLAQSVIEPGRTVCYDMMYAKEPTAFNRWAAERGAARTLDGLGMLVEQAAEAFFLWRGVRPASAPVLETLRRQLATV
3PWZ Chain:A ((3-267))
-DRYAVIGRPINHTKSPLIHGLFAQASNQQLEYGAIEGSLDDFEAQVLQFRSEGGKGMNITAPFKLRAFELADRRSERAQLARAANAL-KFEDGRIVAENFDGIGLLRDIEENLGEPLRNRRVLLLGAGGAVRGALLPFLQAGPSELVIANRDMAKALALRNEL-DHSRLRISRYEALEGQSFDIVVNATSASLTADLPPLPADVLGEA-ALAYELAYGKGLTPFLRLAREQGQARLADGVGMLVEQAAEAFAWWRGVRPDTRAVINQLTIPLE--
General information:
TITO was launched using:
RESULT:
Template:
3PWZ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -167199 for 2304 contacts (-72.6/contact) +
2D Compatibility (PS) -28242 + (NN) -11212 + (LL) 856
1D Compatibility (HY) -19600 + (ID) 6800
Total energy: -232197.0 ( -100.78 by residue)
QMean score : 0.518
(partial model without unconserved sides chains):
PDB file :
Tito_3PWZ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PWZ-query.scw
PDB file :
Tito_Scwrl_3PWZ.pdb
: