Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSGTDRSQAAGAVPDSDPGLAAVSSAYQRFEPRAYLRNNYAPPRGDLSCPDGVGPWKLRCLAQTFATGEVSGRTLIDIGSGPTIYQLLSACAHFEDITMTDFLEVNRQELRLWLREEPGAFDWSVYSQHVCLIEGKGESWQEKECQLRARVKRILPIDVHRPQPLGAGGLAPLPADALVSAFCLEAVSPDLASFQRALDHITTLLRPGGHLLLIGALEESWYLAGEARLAVVPVREEEVREALVRTATRCGICARTPMPAHLQTGVDDVKGIFFTRAQKKVGV
1HNN Chain:A ((22-282))
---------------------AVASAYQRFEPRAYLRNNYAPPRGDLCNPNGVGPWKLRCLAQTFATGEVSGRTLIDIGSGPTVYQLLSACSHFEDITMTDFLEVNRQELGRWLQEEPGAFNWSMYSQHACLIEGKGECWQDKERQLRARVKRVLPIDVHQPQPLGAGSPAPLPADALVSAFCLEAVSPDLASFQRALDHITTLLRPGGHLLLIGALEESWYLAGEARLTVVPVSEEEVREALVRSGYKVRDLRTYIMPAHLQTGVDDVKGVFFAWAQK-VGL
General information:
TITO was launched using:
RESULT:
Template:
1HNN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -157968 for 2277 contacts (-69.4/contact) +
2D Compatibility (PS) -28323 + (NN) -18045 + (LL) 380
1D Compatibility (HY) -31600 + (ID) 11200
Total energy: -246756.0 ( -108.37 by residue)
QMean score : 0.482
(partial model without unconserved sides chains):
PDB file :
Tito_1HNN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1HNN-query.scw
PDB file :
Tito_Scwrl_1HNN.pdb
: