Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQQIQRDIAQALQVQPPFQSEADVQAQIARRIAFIQQCLKDSGLKTLVLGISGGVDSLTAGLLAQRAVEQLREQTGDQAYRFIAVRLPYQVQQDEADAQASLATIRADEEQTVNIGPSVKALAEQLEALEGLEPAKSDFVIGNIKARIRMVAQYAIAGARGGLVIGTDHAAEAVMGFFTKFGDGACDLAPLSGLAKHQVRALARALGAPENLVEKIPTADLEDLRPGHPDEASHGVTYAEIDAFLHGQPLREEAARVIVDTYHKTQHKRELPKAP
2NSY Chain:B ((2-262))
---MQEKIMRELHVKPSI----DPKQEIEDRVNFLKQYVKKTGAKGFVLGISGGQDSTLAGRLAQLAVESIREEGGDA--QFIAVRLPHGTQQDEDDAQLALKFIKPDKSWKFDIKSTVSAFSDQYQQETGDQL--TDFNKGNVKARTRMIAQYAIGGQEGLLVLGTDHAAEAVTGFFTKYGDGGADLLPLTGLTKRQGRTLLKELGAPERLYLKEPTADLLDEKPQQSDETELGISYDEIDDYLEGKEVSAKVSEALEKRYSMTEHKRQVP---
General information:
TITO was launched using:
RESULT:
Template:
2NSY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -101678 for 2163 contacts (-47.0/contact) +
2D Compatibility (PS) -29046 + (NN) -21996 + (LL) 1300
1D Compatibility (HY) -16000 + (ID) 6500
Total energy: -173920.0 ( -80.41 by residue)
QMean score : 0.592
(partial model without unconserved sides chains):
PDB file :
Tito_2NSY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2NSY-query.scw
PDB file :
Tito_Scwrl_2NSY.pdb
: