Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIALINENSQASKNTIIYKELKAVSDEKGFEVFNYGMYGKEEESQLTYVQNGLLTAILLNSGAADFVITGCGTGIGAMLACNSFPGVVCGFAADPVDAYLFSQVNGGNALSLPFAKGFGWGAELNLRYLFERLFEDEKGGGYPKERAVPEQRNARILSEIKQITYRDLLSVLKEIDQDFLKETISGEHFQEYFFANCQNQNIADYLKSVLD
3HEE Chain:A ((16-106))
-------------------REIADFLKKRGYEVIDFGTHGNE---SVDYPDFGLKVAEAVKSGECDRGIVICGTGLGISIAANKVPGIRAAVCTNSYMARMSREHNDANILALGERVVGLDLALDIVDTWLKAEFQGGRHATRVGKIGEIEKKYS---------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3HEE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -57009 for 622 contacts (-91.7/contact) +
2D Compatibility (PS) -10049 + (NN) -7157 + (LL) 5524
1D Compatibility (HY) -2400 + (ID) 1450
Total energy: -72541.0 ( -116.63 by residue)
QMean score : 0.416
(partial model without unconserved sides chains):
PDB file :
Tito_3HEE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3HEE-query.scw
PDB file :
Tito_Scwrl_3HEE.pdb
: