Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSKQFAVDFIEASREEASAILEFLNTVTEETDFI-LHTVSNQLSLSEMETFIENTLMTKNCICLIAKLKNKVIGLITIISQSDIEIEHVGDLFIAVQKDYWGYGIGHILMEEAIEWASDNDITRRLELSVQGRNERAIHLYQKFGFEIDGLQTRGIKRENGEFLDIYRMSKLID
2I79 Chain:E ((9-171))
----------EAEPKDAAELVAFLNRVSLETDFTSLDGDGILLTSEEMEIFLNKQASSDNQITLLAFLNGKIAGIVNITADQRKRVRHIGDLFIVIGKRYWNNGLGSLLLEEAIEWAQASGILRRLQLTVQTRNQAAVHLYQKHGFVIEGSQERGAYIEEGKFIDVYLMGKLI-
General information:
TITO was launched using:
RESULT:
Template:
2I79.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -104749 for 1180 contacts (-88.8/contact) +
2D Compatibility (PS) -17211 + (NN) -2068 + (LL) 1016
1D Compatibility (HY) -14000 + (ID) 3750
Total energy: -140762.0 ( -119.29 by residue)
QMean score : 0.520
(partial model without unconserved sides chains):
PDB file :
Tito_2I79.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2I79-query.scw
PDB file :
Tito_Scwrl_2I79.pdb
: