Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTKIVKMSEKNEHGTLEQFYPETHAEAVKGLVSVSEEEKTIWDQKESTAGAEQKANTALNSAKDYVDTIGEGTVIFKGANLMGAGQSFKWDASKLKFGMTLLFSRYDAANNTPQDYYYHSVFLSKAQLVELA--------GKGILVQMPSTTYGDRKYLYVSTTGLSGHFDNSNYAAWALRQVTIM
3WNK Chain:A ((642-721))
-------------------------------------------------------------------------------NLLGNDNQWRNTASQPSFQTNLPAKIYIGADETISDVYLASPDLSGGETQELAFTSGTDAGGKYVSFTVPELKYWNMIYM---------------------------
General information:
TITO was launched using:
RESULT:
Template:
3WNK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -10172 for 387 contacts (-26.3/contact) +
2D Compatibility (PS) -7210 + (NN) -158 + (LL) 7280
1D Compatibility (HY) -2800 + (ID) 1150
Total energy: -14210.0 ( -36.72 by residue)
QMean score : 0.114
(partial model without unconserved sides chains):
PDB file :
Tito_3WNK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3WNK-query.scw
PDB file :
Tito_Scwrl_3WNK.pdb
: