Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLATIDKFAYEKSMLINVGDEKGTLLDAAVRRADPALALELGTYLGYGALRIAR-AAPEARVYSVELAEANASNARRIWAHAGVDDRVVCVVGTIGDGGRTLDALTEHGFATGTLDFVFLDHDKKAYLPDLQSILDRGWLHPGSIVVADNVRVPGAPKYRAYMRRQQGMSWNTIEHKTHLEYQTLVPDLVLESEYLG
3BWM Chain:A ((24-203))
VLEAIDTYCEQKEWAMNVGDKKGKIVDAVIQEHQPSVLLELGAYCGYSAVRMARLLSPGARLITIEINPDCAAITQRMVDFAGVKDKVTLVVGASQDIIPQL----KKKYDVDTLDMVFLDHWKDRYLPDTLLLEECGLLRKGTVLLADNVICPGAPDFLAHVRGSS--CFECTHYQSFLEYREVV-----------
General information:
TITO was launched using:
RESULT:
Template:
3BWM.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -97886 for 1423 contacts (-68.8/contact) +
2D Compatibility (PS) -19599 + (NN) -7124 + (LL) 936
1D Compatibility (HY) -18000 + (ID) 3500
Total energy: -145173.0 ( -102.02 by residue)
QMean score : 0.534
(partial model without unconserved sides chains):
PDB file :
Tito_3BWM.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3BWM-query.scw
PDB file :
Tito_Scwrl_3BWM.pdb
: