Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDRYCVFGNPIGHSKSPLIHRLFAEQTGEALVYDAQLAPLDDFPGFARRFFE-----QGKGANVTVPFKEEAYRLVDELSERATRAGAVNTLIRLADGRLRGDNTDGAGLLRDLTANAGVELRGKRVLLLGAGGAVRGVLEPFLGECPAELLIANRTARKAVDLAERFADLGAVHGCGFAEVEGPFDLIVNGTSASLAGDVPPLAQSVIEPGRTVCYDMMYAKEPTAFNRWAAERGAARTLDGLGMLVEQAAEAFFLWRGVRPASAPVLETLRRQLATV
2HK9 Chain:C ((15-258))
---YGVIGFPVKHSLSPVFQNALIRYAGLNAVYLA----FEINPEELKKAFEGFKALKVKGINVTVPFKEEIIPLLDYVEDTAKEIGAVNT-VKFENGKAYGYNTDWIGFLKSLKSLIP-EVKEKSILVLGAGGASRAVIYALVKEG-AKVFLWNRTKEKAIKLAQKFP-LEVVNSP--EEVIDKVQVIVNTTSVGLKDEDPEIFNYDLIKKDHVVVDIIYKE--TKLLKKAKEKG-AKLLDGLPMLLWQGIEAFKIWNGCEVPYSVAERSVRD-----
General information:
TITO was launched using:
RESULT:
Template:
2HK9.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -133888 for 2070 contacts (-64.7/contact) +
2D Compatibility (PS) -25984 + (NN) -12516 + (LL) 1020
1D Compatibility (HY) -20000 + (ID) 4700
Total energy: -196068.0 ( -94.72 by residue)
QMean score : 0.391
(partial model without unconserved sides chains):
PDB file :
Tito_2HK9.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2HK9-query.scw
PDB file :
Tito_Scwrl_2HK9.pdb
: