Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPNYKLLYFNMRGRAEIIRYIFAYLDIKYEDHRIEQADWPKIKPTLPFGKIPVLEVEGLTIHQSLAIARYLTKNTDLAGKTALEQCQADAVVDTLDDFMSLFPWAEKDQDLKERMFNELLTHQAPRLLKDLDTYLGDKEWFIGNYVTWADFYWDICSTTLLVLKPGLLDIYPKLVSLRNKVQAIPAISAWILKRPQTKL
4EE0 Chain:B ((2-199))
-PNYKLTYFNMRGRAEIIRYIFAYLDIQYEDHRI--ADWPEIKSTLPFGKIPILEVDGLTLHQSLAIARYLTKNTDLAGNTEMEQCHVDAIVDTLDDFMSCFPWAE--QDVKEQMFNELLTYNAPHLMQDLDTYLGGREWLIGNSVTWADFYWEICSTTLLVFKPDLLDNHPRLVTLRKKVQAIPAVANWIKRRPQTKL
General information:
TITO was launched using:
RESULT:
Template:
4EE0.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -146926 for 1414 contacts (-103.9/contact) +
2D Compatibility (PS) -20519 + (NN) -8196 + (LL) 420
1D Compatibility (HY) -28000 + (ID) 7800
Total energy: -211021.0 ( -149.24 by residue)
QMean score : 0.564
(partial model without unconserved sides chains):
PDB file :
Tito_4EE0.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4EE0-query.scw
PDB file :
Tito_Scwrl_4EE0.pdb
: