Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLATIDKFAYEKSMLINVGDEKGTLLDAAVRRADPALALELGTYLGYGALRIAR-AAPEARVYSVELAEANASNARRIWAHAGVDDRVVCVVGTIGDGGRTLDALTEHGFATGTLDFVFLDHDKKAYLPDLQSILDRGWLHPGSIVVADNVRVPGAPKYRAYMRRQQGMSWNTIEHKTHLEYQTLVPDLVLESEYLG
4PYI Chain:A ((25-204))
VLEAIDTYCEQK------GDKKGKIVDAVIQEHQPSVLLELGAYCGYSAVRMARLLSPGARLITIEINPDCAAITQRMVDFAGVKDKVTLVVGASQDIIPQL----KKKYDVDTLDMVFLDHWKDRYLPDTLLLEECGLLRKGTVLLADNVICPGAPDFLAHVRGSS--CFECTHYQSFLEYREVV-----------
General information:
TITO was launched using:
RESULT:
Template:
4PYI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -91853 for 1328 contacts (-69.2/contact) +
2D Compatibility (PS) -19068 + (NN) -9556 + (LL) 1608
1D Compatibility (HY) -17200 + (ID) 3400
Total energy: -139469.0 ( -105.02 by residue)
QMean score : 0.516
(partial model without unconserved sides chains):
PDB file :
Tito_4PYI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4PYI-query.scw
PDB file :
Tito_Scwrl_4PYI.pdb
: