Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLATIDKFAYEKSMLINVGDEKGTLLDAAVRRADPALALELGTYLGYGALRIAR-AAPEARVYSVELAEANASNARRIWAHAGVDDRVVCVVGTIGDGGRTLDALTEHGFATGTLDFVFLDHDKKAYLPDLQSILDRGWLHPGSIVVADNVRVPGAPKYRAYMRRQQGMSWNTIEHKTHLEYQTLVPDLVLESEYLG
3A7E Chain:A ((27-209))
VLEAIDTYCEQKEWAMNVGDKKGKIVDAVIQEHQPSVLLELGAYCGYSAVRMARLLSPGARLITIEINPDCAAITQRMVDFAGVKDKVTLVVGASQDIIPQL----KKKYDVDTLDMVFLDHWKDRYLPDTLLLEECGLLRKGTVLLADNVICPGAPDFLAHVRGSS--CFECTHYQSFLEYREVVDGL--------
General information:
TITO was launched using:
RESULT:
Template:
3A7E.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -79044 for 1450 contacts (-54.5/contact) +
2D Compatibility (PS) -19923 + (NN) -7532 + (LL) 976
1D Compatibility (HY) -18400 + (ID) 3550
Total energy: -127473.0 ( -87.91 by residue)
QMean score : 0.508
(partial model without unconserved sides chains):
PDB file :
Tito_3A7E.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3A7E-query.scw
PDB file :
Tito_Scwrl_3A7E.pdb
: