Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNKFFLESERLIIRPLEESDYDSWYTSFMNRGPSLTPFDDGILDMSMCDINWFKNLVNLQRKEWESDIVYIFGVFLKSGEH--VGMLNIVTLARADMQWGELGYVFHNQFWSNGYAFESILALLNSTYEKLGFHHIEAQITPGNERSENLVRRLGLTYETTRKDFSFENGKWTDKLIYSINLHNNNLE
3IGR Chain:A ((5-176))
-----FEFEHYQVRLIKSSDAVTIANYFMRNRHHLAPWEPKRSHAFFTPEGWKQRL--LQLVELHKHNLAFYFVVVDKNEHKIIGTVSYSNITRFPFHAGHVGYSLDSEYQGKGIMRRAVNVTIDWMFKAQNLHRIMAAYIPRNEKSAKVLAALGFVKEGEAKKYLYINGAWEDHILTSKINDDWKP-
General information:
TITO was launched using:
RESULT:
Template:
3IGR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -83360 for 1205 contacts (-69.2/contact) +
2D Compatibility (PS) -18377 + (NN) -5849 + (LL) 772
1D Compatibility (HY) -9200 + (ID) 1950
Total energy: -117964.0 ( -97.90 by residue)
QMean score : 0.384
(partial model without unconserved sides chains):
PDB file :
Tito_3IGR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IGR-query.scw
PDB file :
Tito_Scwrl_3IGR.pdb
: