Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSQMMQMYQQVGPAQFSAMIGQFAPYFASIAPQFVELRPGYAEVTFPKRREVLNHIGTVHAIALCNAAELAAGTMTDASIPAGHRWIPRGMTVEYLAKAT-GDVRAVADGSQIDWQAT-GNLVVPVVAYV---DD-KPVFRAEITMYVSQA
3E1E Chain:A ((16-140))
---------------------ARQPVMATLGARIDTLLPGRVELCMPYDRALTQQHGFLHAGIVSTVLDSACGYAAFSLMEEEAAVLTVEFKVNFLNPAEGERFAFRAEVV----KPGRTLTVATATAYAFRDGEERAIATMTATLMALIG
General information:
TITO was launched using:
RESULT:
Template:
3E1E.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -83918 for 900 contacts (-93.2/contact) +
2D Compatibility (PS) -12753 + (NN) -1138 + (LL) 2412
1D Compatibility (HY) -2000 + (ID) 1050
Total energy: -98447.0 ( -109.39 by residue)
QMean score : 0.376
(partial model without unconserved sides chains):
PDB file :
Tito_3E1E.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3E1E-query.scw
PDB file :
Tito_Scwrl_3E1E.pdb
: