Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSMQEKIMRELHVKPSIDPKQEIEDRVNFLKQYVKKTGAKGFVLGISGGQDSTLAGRLAQLAVESIREEGGDAQFIAVRLPHGTQQDEDDAQLALKFIKPDKSWKFDIKSTVSAFSDQYQQETGDQLTDFNKGNVKARTRMIAQYAIGGQEGLLVLGTDHAAEAVTGFFTKYGDGGADLLPLTGLTKRQGRTLLKELGAPERLYLKEPTADLLDEKPQQSDETELGISYDEIDDYLEGKEVSAKVSEALEKRYSMTEHKRQVPASMFDDWWK
1IFX Chain:B ((1-271))
-SMQEKIMRELHVKPSIDPKQEIEDRVNFLKQYVKKTGAKGFVLGISGGQDSTLAGRLAQLAVESIREEGGDAQFIAVRLPHG-----DDAQLALKFIKPDKSWKFDIKSTVSAFSDQYQQETGDQLTDFNKGNVKARTRMIAQYAIGGQEGLLVLGTDHAAEAVTGFFTKYGDGGADLLPLTGLTKRQGRTLLKELGAPERLYL---------------------ISYDEIDDYLEGKEVSAKVSEALEKRYSMTEHKRQVPASMFDDWWK
General information:
TITO was launched using:
RESULT:
Template:
1IFX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -69269 for 1885 contacts (-36.7/contact) +
2D Compatibility (PS) -26848 + (NN) -12013 + (LL) 1380
1D Compatibility (HY) -30000 + (ID) 12250
Total energy: -149000.0 ( -79.05 by residue)
QMean score : 0.662
(partial model without unconserved sides chains):
PDB file :
Tito_1IFX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1IFX-query.scw
PDB file :
Tito_Scwrl_1IFX.pdb
: