Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDIINETKSRMQKSIESLSRELANISAGRANSNLLNGVTVDYYGAPTPVQQLASINVPEARLLVISPYDKTSVADIEKAIIAANLGVNPTSDGEVIRIAVPALTEERRKERVKDVKKIGEEAKVSVRNIRRDMNDQLKKDEKNGDITEDELRSGTEDVQKATDNSIKEIDQMIADKEKDIMSV
1WQF Chain:A ((6-184))
----LFDAEEKMEKAVAVARDDLSTIRTGRANPGMFSRITIDYYGAATPITQLASINVPEARLVVIKPYEANQLRAIETAIRNSDLGVNPTNDGALIRVAVPQLTEERRRELVKQAKHKGEEAKVSVRNIRRKAMEELHRIRKEGEAGEDEVGRAEKDLDKTTHQYVTQIDELVKHKEGELLE-
General information:
TITO was launched using:
RESULT:
Template:
1WQF.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -45956 for 1242 contacts (-37.0/contact) +
2D Compatibility (PS) -19652 + (NN) -4081 + (LL) 500
1D Compatibility (HY) -14800 + (ID) 4250
Total energy: -88239.0 ( -71.05 by residue)
QMean score : 0.578
(partial model without unconserved sides chains):
PDB file :
Tito_1WQF.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1WQF-query.scw
PDB file :
Tito_Scwrl_1WQF.pdb
: