Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNKPLNTAQVFIGSDHAGLHLAEFVKHFLEDKRFKIQAFLP--TTRVDYPDYAKLVCQKVLENAQSYGILVCATGIGMSMGANRFKGIRAALCLDAYMAKMTRLHNNANVLCLGEKISGIGVAESILEAFFSTEFEQGRHVLRIQKLDESLKS
3HEE Chain:A ((2-142))
--------KIGIGSDHGGYNLKREIADFLKKRGYEVIDFGTHGNESVDYPDFGLKVAEAVKSGECDRGIVICGTGLGISIAANKVPGIRAAVCTNSYMARMSREHNDANILALGERVVGLDLALDIVDTWLKAEFQGGRHATRVGKIGEIEKK
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) -131344 for 1194 contacts (-110.0/contact) +
2D Compatibility (PS) -14939 + (NN) -7657 + (LL) 344
1D Compatibility (HY) -12000 + (ID) 2800
Total energy: -168396.0 ( -141.04 by residue)
QMean score : 0.544
(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
: