Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSVSSASLAGKVAFVQGGSRGIGAAIVRRLAAEGASVAFTYVSSADKSRALAAELEGAGASILALHADSADAAALVAAVDEAAARFGRIDILVNNAAVLALGSVEELPLADFERTLAINVRSVFVATQAAVKHMGD--GGRVISIGSTNAERMPFAGGATYAMSKSALVGLTKGLARDLGPRGITVNNVQPGPVDTDMNPD-DGDFAEALKGLMALPRYARSEEIASFVAYLAGPEAAYITGASLTIDGGFSA
4JRO Chain:C ((25-269))
-----MTLQGKVAVVTGGSRGIGRDIAINLAKEGANIFFNYNGSPEAAEETAKLVAEHGVEVEAMKANVAIAEDVDAFFKQAIERFGRVDILVNNAGITRDNLLMRMKEDEWDDVININLKGTFLCTKAVSRTMMKQRAGKIINMASV-VGLIGNAGQANYVASKAGVIGLTKTTARELAPRGINVNAVAPGFITTDMTDKLDEKTKEAMLAQIPLGAYGTTEDIANAVLFLASDASKYITGQTLSVDGGMVM
General information:
TITO was launched using:
RESULT:
Template:
4JRO.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -130832 for 2118 contacts (-61.8/contact) +
2D Compatibility (PS) -26877 + (NN) -16888 + (LL) 236
1D Compatibility (HY) -16400 + (ID) 4700
Total energy: -195461.0 ( -92.29 by residue)
QMean score : 0.625
(partial model without unconserved sides chains):
PDB file :
Tito_4JRO.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4JRO-query.scw
PDB file :
Tito_Scwrl_4JRO.pdb
: