Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
-----MSLKFFRKNIVLKVVPRLAFGVLWLLHKTCKNRYFLAQDLKEKPFIVSCWHGELGMIGFAYLRLQKPSVYVIASQHFDGSIAAGLFESFGFKNIRGSSKKGGVKVLIEGLKRL--KEGCDVAITPDGPKGPRHSIADGVIALAQKSGVGISACRVVCKNAWRLNTWDQFEIPKPFSEVRYYM--LESVIIPKEWELSKAKEYLKTRMDSVGFEESQRGLGA
1PQW Chain:A ((14-196))
NEAATFGVAYLTAWHSLCEVGRLSPGERVLIHSA---------------------TGGVGMAAVSIAKMIGARIYTTAGS----DAKREMLSRLGVEYVGDSRSVD----FADEILELTDGYGVDVVLNSLAGEAIQRGVQ----ILAPG-------GRFIELGKKDVYADASLGLAALAKSASFSVVDLDLNLKLQPARYRQLLQHILQHVADGKLEVLPVT---
General information:
TITO was launched using:
RESULT:
Template:
1PQW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -91168 for 1411 contacts (-64.6/contact) +
2D Compatibility (PS) -19112 + (NN) -11256 + (LL) 2348
1D Compatibility (HY) -7600 + (ID) 1150
Total energy: -127938.0 ( -90.67 by residue)
QMean score : 0.314
(partial model without unconserved sides chains):
PDB file :
Tito_1PQW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1PQW-query.scw
PDB file :
Tito_Scwrl_1PQW.pdb
: