Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQQIQRDIAQALQVQPPFQSEADVQAQIARRIAFIQQCLKDSGLKTLVLGISGGVDSLTAGLLAQRAVEQLREQTGDQAYRFIAVRLPYQVQQDEADAQASLATIRADEEQTVNIGPSVKALAEQLEALEGLEPAKSDFVIGNIKARIRMVAQYAIAGARGGLVIGTDHAAEAVMGFFTKFGDGACDLAPLSGLAKHQVRALARALGAPENLVEKIPTADLEDLRPGHPDEASHGVTYAEIDAFLHGQPLREEAARVIVDTYHKTQHKRELPKAP
1KQP Chain:B ((2-262))
---MQEKIMRELHVKPSI----DPKQEIEDRVNFLKQYVKKTGAKGFVLGISGGQDSTLAGRLAQLAVESIREEGGDA--QFIAVRLPHGTQQDEDDAQLALKFIKPDKSWKFDIKSTVSAFSDQYQQETGDQL--TDFNKGNVKARTRMIAQYAIGGQEGLLVLGTDHAAEAVTGFFTKYGDGGADLLPLTGLTKRQGRTLLKELGAPERLYLKEPTADLLDEKPQQSDETELGISYDEIDDYLEGKEVSAKVSEALEKRYSMTEHKRQVP---
General information:
TITO was launched using:
RESULT:
Template:
1KQP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -100589 for 2180 contacts (-46.1/contact) +
2D Compatibility (PS) -29046 + (NN) -21996 + (LL) 1300
1D Compatibility (HY) -16000 + (ID) 6500
Total energy: -172831.0 ( -79.28 by residue)
QMean score : 0.567
(partial model without unconserved sides chains):
PDB file :
Tito_1KQP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1KQP-query.scw
PDB file :
Tito_Scwrl_1KQP.pdb
: