Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIAIGCDEMGYELKQTLITRLKEKNIEFTDFGSFEDEKVLYPSIAEKVALEVKNNDYDRGILICGTGIGMAITANKIHGIRAAQIHDSYSAERARKSNDAHIMTMGALVIGPSLAVSLLDTWLDSDFSGGRSQAKVDLMEEIDQKNR
3HE8 Chain:B ((1-146))
MKIGIGSDHGGYNLKREIADFLKKRGYEVIDFGTHGNESVDYPDFGLKVAEAVKSGECDRGIVICGTGLGISIAANKVPGIRAAVCTNSYMARMSREHNDANILALGERVVGLDLALDIVDTWLKAEFQGGRHATRVGKIGEIEKK--
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) -97349 for 1243 contacts (-78.3/contact) +
2D Compatibility (PS) -16194 + (NN) -8756 + (LL) 20
1D Compatibility (HY) -13600 + (ID) 3450
Total energy: -139329.0 ( -112.09 by residue)
QMean score : 0.578
(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
: