Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLFLKELESNLTVSKLMELCFEHPNYKDYCSVISTKKGEVLESLSPAGTKVYFVLSGIYGMIVEEDAEMEEESCKECIVRFLQKGDSFGLYHLFYDE-WSPHVSMQSLGHGEVMEVDSNFLFSIFDKK-----DENNFFMIKVMAEELREAHT-FAKLSFLKKEERIRKAILKCAQTLGTFSDNGILLPREITQEVLARYTNTSREYVAHTVMHLIKEDIIRNRPKPLLVMDKTRL
3IWZ Chain:A ((27-228))
----------------------IERFLAHSHRRRYPTRTDVFRPGDPAGTLYYVISGSVSIIAEED------DDRELVLGYFGSGEFVGEMGLFIESDTREV-ILRTRTQCELAEISYERLQQLFQTSLSPDAPRILYAIGVQLSKRLLDTTRKASRLAFLDVTDRIVRTLHDLSKEPEAMS-HPQGTQLRVSRQELARLVGCSREMAGRVLKKLQADGLLHARGKTVVLYG----
General information:
TITO was launched using:
RESULT:
Template:
3IWZ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -77145 for 1390 contacts (-55.5/contact) +
2D Compatibility (PS) -21510 + (NN) -12868 + (LL) 3720
1D Compatibility (HY) -8400 + (ID) 1650
Total energy: -117853.0 ( -84.79 by residue)
QMean score : 0.297
(partial model without unconserved sides chains):
PDB file :
Tito_3IWZ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IWZ-query.scw
PDB file :
Tito_Scwrl_3IWZ.pdb
: