Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPEAPPLLLAAVLLGLVLLVVLLLLLRHWGWGLCLIGWNEFILQPIHNLLMGDTKEQRILNHVLQHAEPGNAQSVLEAIDTYCEQKEWAMNVGDKKGKIVDAVIQEHQPSVLLELGAYCGYSAVRMARLLSPGARLITIEINPDCAAITQRMVDFAGVKDKVTLVVGASQDIIPQLKKKYDVDTLDMVFLDHWKDRYLPDTLLLEECGLLRKGTVLLADNVICPGAPDFLAHVRGSSCFECTHYQSFLEYREVVDGLEKAIYKGPGSEAGP
3BWY Chain:A ((1-214))
---------------------------------------------------GDTKEQRILNHVLQHAEPGNAQSVLEAIDTYCEQKEWAMNVGDKKGKIVDAVIQEHQPSVLLELGAYCGYSAVRMARLLSPGARLITIEINPDCAAITQRMVDFAGMKDKVTLVVGASQDIIPQLKKKYDVDTLDMVFLDHWKDRYLPDTLLLEECGLLRKGTVLLADNVICPGAPDFLAHVRGSSCFECTHYQSFLEYREVVDGLEKAIYKGP------
General information:
TITO was launched using:
RESULT:
Template:
3BWY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -152944 for 1854 contacts (-82.5/contact) +
2D Compatibility (PS) -23341 + (NN) -9521 + (LL) 4896
1D Compatibility (HY) -32400 + (ID) 10650
Total energy: -223960.0 ( -120.80 by residue)
QMean score : 0.448
(partial model without unconserved sides chains):
PDB file :
Tito_3BWY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3BWY-query.scw
PDB file :
Tito_Scwrl_3BWY.pdb
: