Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKRIQKNILREFEMESSEQALAIWSVLSDVYDKSPWSLSQISEDLKKDSTDYFFVYNDGEVIGFLALQQLVGEVEITNIAVKKNYQGKGYAYQLM-SMIADIE----VPVFLEVRYSNIVAQKLYERCGFVVLGKRKNYYHDP--IEGAIVMRKG
2CNS Chain:C ((48-142))
---------------------------------------------------------DDRMAAFAITQVVLDEATLFNIAVDPDFQRRGLGRMLLEHLIDELETRGVVTLWLEVRASNAAAIALYESLGFNEATIRRNYYPTAQGHEDAIIMALP
General information:
TITO was launched using:
RESULT:
Template:
2CNS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -66627 for 531 contacts (-125.5/contact) +
2D Compatibility (PS) -9533 + (NN) -586 + (LL) 4480
1D Compatibility (HY) -6400 + (ID) 1700
Total energy: -80366.0 ( -151.35 by residue)
QMean score : 0.420
(partial model without unconserved sides chains):
PDB file :
Tito_2CNS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2CNS-query.scw
PDB file :
Tito_Scwrl_2CNS.pdb
: