Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLATIDKFAYEKSMLINVGDEKGTLLDAAVRRADPALALELGTYLGYGALRIAR-AAPEARVYSVELAEANASNARRIWAHAGVDDRVVCVVGTIGDGGRTLDALTEHGFATGTLDFVFLDHDKKAYLPDLQSILDRGWLHPGSIVVADNVRVPGAPKYRAYMRRQQGMSWNTIEHKTHLEYQTLVPDLVLESEYLG
4XUD Chain:A ((28-207))
VLEAIDTYCEQKEWAMNVGDKKGKIVDAVIQEHQPSVLLELGAYCGYSAVRMARLLSPGARLITIEINPDCAAITQRMVDFAGVKDKVTLVVGASQDIIPQL----KKKYDVDTLDMVFLDHWKDRYLPDTLLLEECGLLRKGTVLLADNVICPGAPDFLAHVRGSS--CFECTHYQSFLEYREVV-----------
General information:
TITO was launched using:
RESULT:
Template:
4XUD.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -91269 for 1419 contacts (-64.3/contact) +
2D Compatibility (PS) -19605 + (NN) -6884 + (LL) 936
1D Compatibility (HY) -18000 + (ID) 3500
Total energy: -138322.0 ( -97.48 by residue)
QMean score : 0.601
(partial model without unconserved sides chains):
PDB file :
Tito_4XUD.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4XUD-query.scw
PDB file :
Tito_Scwrl_4XUD.pdb
: