Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKRIQKNILREFEMESSEQALAIWSVLSDVYDKSPWSLSQISEDLKKDSTDYFFVYNDGEVIGFLALQQLVGEVEITNIAVKKNYQGKGYAYQLM-SMIADIE----VPVFLEVRYSNIVAQKLYERCGFVVLGKRKNYYHDP--IEGAIVMRKG
2CNT Chain:C ((48-142))
---------------------------------------------------------DDRMAAFAITQVVLDEATLFNIAVDPDFQRRGLGRMLLEHLIDELETRGVVTLWLEVRASNAAAIALYESLGFNEATIRRNYYPTAQGHEDAIIMALP
General information:
TITO was launched using:
RESULT:
Template:
2CNT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -66336 for 529 contacts (-125.4/contact) +
2D Compatibility (PS) -9495 + (NN) -315 + (LL) 4480
1D Compatibility (HY) -6400 + (ID) 1700
Total energy: -79766.0 ( -150.79 by residue)
QMean score : 0.409
(partial model without unconserved sides chains):
PDB file :
Tito_2CNT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2CNT-query.scw
PDB file :
Tito_Scwrl_2CNT.pdb
: