Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQQIQRDIAQALQVQPPFQSEADVQAQIARRIAFIQQCLKDSGLKTLVLGISGGVDSLTAGLLAQRAVEQLREQTGDQAYRFIAVRLPYQVQQDEADAQASLATIRADEEQTVNIGPSVKALAEQLEALEGLEPAKSDFVIGNIKARIRMVAQYAIAGARGGLVIGTDHAAEAVMGFFTKFGDGACDLAPLSGLAKHQVRALARALGAPENLVEKIPTADLEDLRPGHPDEASHGVTYAEIDAFLHGQPLREEAARVIVDTYHKTQHKRELPKAP
1IH8 Chain:B ((2-262))
---MQEKIMRELHVKPSI----DPKQEIEDRVNFLKQYVKKTGAKGFVLGISGGQDSTLAGRLAQLAVESIREEGGDA--QFIAVRLPHG----EDDAQLALKFIKPDKSWKFDIKSTVSAFSDQYQQETGDQL--TDFNKGNVKARTRMIAQYAIGGQEGLLVLGTDHAAEAVTGFFTKYGDGGADLLPLTGLTKRQGRTLLKELGAPERLYL--------------------GISYDEIDDYLEGKEVSAKVSEALEKRYSMTEHKRQVP---
General information:
TITO was launched using:
RESULT:
Template:
1IH8.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -121057 for 1893 contacts (-63.9/contact) +
2D Compatibility (PS) -26452 + (NN) -18684 + (LL) 2164
1D Compatibility (HY) -16800 + (ID) 5850
Total energy: -186679.0 ( -98.62 by residue)
QMean score : 0.639
(partial model without unconserved sides chains):
PDB file :
Tito_1IH8.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1IH8-query.scw
PDB file :
Tito_Scwrl_1IH8.pdb
: