Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQILEDYDGRALPKLETDRLILRQRTVGDVPAMFDYVCLEEVAYPAGLS----PIASLEDEYDYFENRYYQNLEKAKLPSGYGITVKGSDRIIGSCAFNHRR--EDDVFEIGYLLHPDYWGHGYMTEAVAALIEVGFTLLNLHKIEIRCYDYNKQSQRVAEKLGFTLEATIRDRKDNQGNRCVNLIYGLLRSEWE
3IGR Chain:A ((2-183))
-----------DVSFEFEHYQVRLIKSSDAVTIANYFMRNRHHLAPWEPKRSHAFFTPEGWKQRLLQLVELHK--HNLAFYFVVVDKNEHKIIGTVSYSNITRFPFHAGHVGYSLDSEYQGKGIMRRAVNVTIDWMFKAQNLHRIMAAYIPRNEKSAKVLAALGFVKEGEAKKYLYINGAWEDHILTSKINDDWK
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) -93621 for 1280 contacts (-73.1/contact) +
2D Compatibility (PS) -18755 + (NN) -3672 + (LL) 992
1D Compatibility (HY) -4000 + (ID) 1700
Total energy: -120756.0 ( -94.34 by residue)
QMean score : 0.423
(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
: