Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSRRAPMFKPLPITLQRGALRLEPLVEADIPELVSLAEANRE--ALQYMD-G---PTRP----DWYRQSLAEQREGRALPLAVRL--GVQLVGTTRFAEFLP-ALPACEIGWTWLDQAQHGSGLNRMIKYLMLKHAFDNLRMVRVQLSTAASNLRAQGAIDKLGAQREGVLRNHRRLAGGRLDDTFVYSITDHEWPQVKAALEASFTG
3IGR Chain:A ((3-184))
------------VSFEFEHYQVRLIKSSDAVTIANYFM-RNRHHLAPWEPKRSHAFFTPEGWKQRLLQLVELHKHNLAFYFVVVDKNEHKIIGTVSYSNITRFPFHAGHVGY-SLDSEYQGKGIMRRAVNVTIDWMFKAQNLHRIMAAYIPRNEKSAKVLAALGFVKEGEAKKYLY-INGAWEDHILTSKINDDWKP-----------
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) -67988 for 1197 contacts (-56.8/contact) +
2D Compatibility (PS) -17924 + (NN) -4772 + (LL) 2008
1D Compatibility (HY) -4000 + (ID) 1250
Total energy: -93926.0 ( -78.47 by residue)
QMean score : 0.414
(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
: