Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQQIQRDIAQALQVQPPFQSEADVQAQIARRIAFIQQCLKDSGLKTLVLGISGGVDSLTAGLLAQRAVEQLREQTGDQAYRFIAVRLPYQVQQDEADAQASLATIRADEEQTVNIGPSVKALAEQLEALEGLEPAKSDFVIGNIKARIRMVAQYAIAGARGGLVIGTDHAAEAVMGFFTKFGDGACDLAPLSGLAKHQVRALARALGAPENLVEKIPTADLEDLRPGHPDEASHGVTYAEIDAFLHGQPLREEAARVIVDTYHKTQHKRELPKAP
1EE1 Chain:B ((2-262))
---MQEKIMRELHVKPSI----DPKQEIEDRVNFLKQYVKKTGAKGFVLGISGGQDSTLAGRLAQLAVESIREEGGDA--QFIAVRLPHG----EDDAQLALKFIKPDKSWKFDIKSTVSAFSDQYQQETGDQL--TDFNKGNVKARTRMIAQYAIGGQEGLLVLGTDHAAEAVTGFFTKYGDGGADLLPLTGLTKRQGRTLLKELGAPERLYL---------------------ISYDEIDDYLEGKEVSAKVSEALEKRYSMTEHKRQVP---
General information:
TITO was launched using:
RESULT:
Template:
1EE1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -122622 for 1890 contacts (-64.9/contact) +
2D Compatibility (PS) -26294 + (NN) -18451 + (LL) 1992
1D Compatibility (HY) -16800 + (ID) 5800
Total energy: -187975.0 ( -99.46 by residue)
QMean score : 0.643
(partial model without unconserved sides chains):
PDB file :
Tito_1EE1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1EE1-query.scw
PDB file :
Tito_Scwrl_1EE1.pdb
: