Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIALINENSQASKNTIIYKELKAVSDEKGFEVFNYGMYGKEEESQLTYVQNGLLTAILLNSGAADFVITGCGTGIGAMLACNSFPGVVCGFAADPVDAYLFSQVNGGNALSLPFAKGFGWGAELNLRYLFERLFEDEKGGGYPKERAVPEQRNARILSEIKQITYRDLLSVLKEIDQDFLKETISGEHFQEYFFANCQNQNIADYLKSVLD
3HE8 Chain:A ((16-106))
-------------------REIADFLKKRGYEVIDFGTHGNE---SVDYPDFGLKVAEAVKSGECDRGIVICGTGLGISIAANKVPGIRAAVCTNSYMARMSREHNDANILALGERVVGLDLALDIVDTWLKAEFQGGRHATRVGKIGEIEKKYS---------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3HE8.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -58451 for 618 contacts (-94.6/contact) +
2D Compatibility (PS) -10099 + (NN) -6872 + (LL) 5524
1D Compatibility (HY) -2400 + (ID) 1450
Total energy: -73748.0 ( -119.33 by residue)
QMean score : 0.416
(partial model without unconserved sides chains):
PDB file :
Tito_3HE8.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3HE8-query.scw
PDB file :
Tito_Scwrl_3HE8.pdb
: