Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGAVSCRQGQHTQQGEHTRVAVPHKQGGNIRGPWARGWKSLWTGLGTIRSDLEELWELRGHHYLHQESLKPAPVLVEKPLPEWPVPQFINLFLPEFPIRPIRGQQQLKILGLVAKGSFGTVLKVLDCTQKAVFAVKVVPKVKVLQRDTVRQCKEEVSIQ-RQINHPFVHSLGDSWQGKRHLFIMCSYCST-DLYSLWSAVGCFPEASIRLFAAELVLVLCYLHDLGIMHRDVKMENILLDERGHLKLTDFGLSR-HVPQGAQAYTICGTLQYMGERG
2R5T Chain:A ((32-207))
--------------------------------------------------------------------------------------------------NPHAKPSDFHFLKVIGKGSFGKVLLARHKAEEVFYAVKVLQKKAIL-------------VLLKNVKHPFLVGLHFSFQTADKLYFVLDYINGGELFYHLQRERCFLEPRARFYAAEIASALGYLHSLNIVYRDLKPENILLDSQGHIVLTDFGLCKENIEHNSTTSTFCGTPEYLAPEV
General information:
TITO was launched using:
RESULT:
Template:
2R5T.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -101041 for 1038 contacts (-97.3/contact) +
2D Compatibility (PS) -16906 + (NN) -2816 + (LL) 6644
1D Compatibility (HY) -16000 + (ID) 2950
Total energy: -133069.0 ( -128.20 by residue)
QMean score : 0.394
(partial model without unconserved sides chains):
PDB file :
Tito_2R5T.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2R5T-query.scw
PDB file :
Tito_Scwrl_2R5T.pdb
: