Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGAVSCRQGQHTQQGEHTRVAVPHKQGGNIRGPWARGWKSLWTGLGTIRSDLEELWELRGHHYLHQESLKPAPVLVEKPLPEWPVPQFINLFLPEFPIRPIRGQQQLKILGLVAKGSFGTVLKVLDCTQKAVFAVKVVPKVKVLQRDTVRQCKEEVSI-QRQINHPFVHSLGDSWQGKRHLFIMCSYCS-TDLYSLWSAVGCFPEASIRLFAAELVLVLCYLHDLGIMHRDVKMENILLDERGHLKLTDFGLSRHV-PQGAQAYTICGTLQYMGERG
2R5T Chain:A ((33-209))
---------------------------------------------------------------------------------------------------PHAKPSDFHFLKVIGKGSFGKVLLARHKAEEVFYAVKVLQKKAIL-------------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) -100511 for 1018 contacts (-98.7/contact) +
2D Compatibility (PS) -16930 + (NN) -3011 + (LL) 6744
1D Compatibility (HY) -15200 + (ID) 2950
Total energy: -131858.0 ( -129.53 by residue)
QMean score : 0.391
(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
: