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:A ((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) -66659 for 527 contacts (-126.5/contact) +
2D Compatibility (PS) -9403 + (NN) 184 + (LL) 4480
1D Compatibility (HY) -6400 + (ID) 1700
Total energy: -79498.0 ( -150.85 by residue)
QMean score : 0.399
(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
: