Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKLFDYAPLSLAWREFLQSEFKKPYFLEIEKRYLEALKSPKTIFPKSSNLFCAFNLTPPYAVKIILLGQDPYHSTYLENEQELPVAMGLSFSVEKNA-PIPPSLKNIFKELHANLGVPVPCCGDLSAWAKRGMLLLNAILSVEKNQAASHKYIGWEAFSDQILIRLFETTTPLIVVLLGKVAQKKIALIPKNKHIIITAPHPSPL--SRGFLGSGVFTSVQKAYREVYRKDFDFSL
4WS8 Chain:A ((51-237))
----------------------------------------RRYLPAGSNVLRAFTF-PFDNVRVLIVGQDPYPTPGH--------AVGLSFSVAPDVRPWPRSLANIFDEYTADLGYPLPSNGDLTPWAQRGVLLLNRVLTVRPSNPASHRGKGWEAVTECAIRALAARAAPLVAILWGRDASTLKPMLAAGNCVAIESPHPSPLSASRGFFGSRPFSRANELLVGMGAEPIDWRL
General information:
TITO was launched using:
RESULT:
Template:
4WS8.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -139126 for 1475 contacts (-94.3/contact) +
2D Compatibility (PS) -19595 + (NN) -7587 + (LL) 4248
1D Compatibility (HY) -14800 + (ID) 3700
Total energy: -180560.0 ( -122.41 by residue)
QMean score : 0.565
(partial model without unconserved sides chains):
PDB file :
Tito_4WS8.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4WS8-query.scw
PDB file :
Tito_Scwrl_4WS8.pdb
: