Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDIENYCQDYCLETIFPKHYFKDLQVITLTAGQSVCKQGEQLEYLHYIVKGRFKIVRRLFNGKEHILDIKTKPTLIGDIELLTNR-QIVSSVIALEDLTVIQLSLKGRKEKLLT-----DATFLLKLSQELAQAFHDQNIKASTNLGYTVKELLASHILAIEEQ-G--------YFQLELSSLADSFGVSYRHLLRVIHDMVKEGLIQKEKPKYFIKNRFALESLNIQP
3IWZ Chain:A ((22-228))
-----------LDAGTIERFLAHSHRRRYPTRTDVFRPGDPAGTLYYVISGSVSIIAEEDDDRELVLGYFGSGEFVGEMGLFIESDTREVILRTRTQCELAEISYERLQQLFQTSLSPDAPRILYAIGVQLSKRLLDTTRKASRLAFLDVTDRIVRTLHDLSKEPEAMSHPQGTQLRVSRQELARLVGCSREMAGRVLKKLQADGLLHARGKTVVLYG-----------
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) -85466 for 1360 contacts (-62.8/contact) +
2D Compatibility (PS) -20862 + (NN) -6879 + (LL) 1608
1D Compatibility (HY) -10400 + (ID) 1400
Total energy: -123399.0 ( -90.73 by residue)
QMean score : 0.396
(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
: