Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPNYKLLYFNMRGRAEIIRYIFAYLDIKYEDHRIEQADWPKIKPTLPFGKIPVLEVEGLTIHQSLAIARYLTKNTDLAGKTALEQCQADAVVDTLDDFMSLFPWAEKDQDLKERMFNELLTHQAPRLLKDLDTYLGDKEWFIGNYVTWADFYWDICSTTLLVLKPGLLDIYPKLVSLRNKVQAIPAISAWILKRPQTKL
2VCW Chain:B ((2-199))
-PNYKLTYFNMRGRAEIIRYIFAYLDIQYEDHRIEQADWPEIKSTLPFGKIPILEVDGLTLHQSLAIARYLTKNTDLAGNTEMEQCHVDAIVDTLDDFMSCFPWAEKKQDVKEQMFNELLTYNAPHLMQDLDTYLGGREWLIGNSVTWADFYWEICSTTLLVFKPDLLDNHPRLVTLRKKVQAIPAVANWIKRRPQTKL
General information:
TITO was launched using:
RESULT:
Template:
2VCW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -142971 for 1435 contacts (-99.6/contact) +
2D Compatibility (PS) -20971 + (NN) -8556 + (LL) 208
1D Compatibility (HY) -28000 + (ID) 7950
Total energy: -208240.0 ( -145.11 by residue)
QMean score : 0.581
(partial model without unconserved sides chains):
PDB file :
Tito_2VCW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2VCW-query.scw
PDB file :
Tito_Scwrl_2VCW.pdb
: