Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQQIQRDIAQALQVQPPFQSEADVQAQIARRIAFIQQCLKDSGLKTLVLGISGGVDSLTAGLLAQRAVEQLREQTGDQAYRFIAVRLPYQVQQDEADAQASLATIRADEEQTVNIGPSVKALAEQLEALEGLEPAKSDFVIGNIKARIRMVAQYAIAGARGGLVIGTDHAAEAVMGFFTKFGDGACDLAPLSGLAKHQVRALARALGAPENLVEKIPTADLEDLRPGHPDEASHGVTYAEIDAFLHGQPLREEAARVIVDTYHKTQHKRELPKAP
1FYD Chain:A ((2-262))
---MQEKIMRELHVKPSI----DPKQEIEDRVNFLKQYVKKTGAKGFVLGISGGQDSTLAGRLAQLAVESIREEGGDA--QFIAVRLPHGTQQDEDDAQLALKFIKPDKSWKFDIKSTVSAFSDQYQQETGDQL--TDFNKGNVKARTRMIAQYAIGGQEGLLVLGTDHAAEAVTGFFTKYGDGGADLLPLTGLTKRQGRTLLKELGAPERLYLKEPTADLLDEKPQQSDETELGISYDEIDDYLEGKEVSAKVSEALEKRYSMTEHKRQVP---
General information:
TITO was launched using:
RESULT:
Template:
1FYD.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -108468 for 2132 contacts (-50.9/contact) +
2D Compatibility (PS) -29046 + (NN) -21996 + (LL) 1300
1D Compatibility (HY) -16000 + (ID) 6500
Total energy: -180710.0 ( -84.76 by residue)
QMean score : 0.597
(partial model without unconserved sides chains):
PDB file :
Tito_1FYD.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1FYD-query.scw
PDB file :
Tito_Scwrl_1FYD.pdb
: