Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPNYKLLYFNMRGRAEIIRYIFAYLDIKYEDHRIEQADWPKIKPTLPFGKIPVLEVEGLTIHQSLAIARYLTKNTDLAGKTALEQCQADAVVDTLDDFMSLFPWAEKDQDLKERMFNELLTHQAPRLLKDLDTYLGDKEWFIGNYVTWADFYWDICSTTLLVLKPGLLDIYPKLVSLRNKVQAIPAISAWILKRPQTKL
3EE2 Chain:A ((2-199))
-PNYKLTYFNMRGRAEIIRYIFAYLDIQYEDHRIEQADWPEIKSTLPFGKIPILEVDGLTLHQSLAIARYLTKNTDLAGNTEMEQCHVDAIVDTLDDFMSCFPWAEKKQDVKEQMFNELLTYNAPHLMQDLDTYLGGREWLIGNSVTWADFYWEICSTTLLVFKPDLLDNHPRLVTLRKKVQAIPAIANWIKRRPQTKL
General information:
TITO was launched using:
RESULT:
Template:
3EE2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -140684 for 1431 contacts (-98.3/contact) +
2D Compatibility (PS) -20974 + (NN) -7674 + (LL) 208
1D Compatibility (HY) -28000 + (ID) 8000
Total energy: -205124.0 ( -143.34 by residue)
QMean score : 0.632
(partial model without unconserved sides chains):
PDB file :
Tito_3EE2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3EE2-query.scw
PDB file :
Tito_Scwrl_3EE2.pdb
: