Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGAVSCRQGQHTQQGEHTRVAVPHKQGGNIRGPWARGWKSLWTGLGTIRSDLEELWELRGHHYLHQESLKPAPVLVEKPLPEWPVPQFINLFLPEFPIRPIRGQQQLKILGLVAKGSFGTVLKVLDC---TQKAVFAVKVVPKVKVLQR-DTVRQCKEEVSIQRQINHPFVHSLGDSWQGKRHLFIMCSYCS-TDLYSLWSAVGCFPEASIRLFAAELVLVLCYLHDLGIMHRDVKMENILLDERGHLKLTDFGLSRHV-PQGAQAYTICGTLQYMGERG
3WF7 Chain:A ((16-193))
-----------------------------------------------------------------------------------------------------IRPECFELLRVLGKGGYGKVFQVRKVTGANTGKIFAMKVLKKAMIVRNAKDTAHTKAERNILEEVKHPFIVDLIYAFQTGGKLYLILEYLSGGELFMQLEREGIFMEDTACFYLAEISMALGHLHQKGIIYRDLKPENIMLNHQGHVKLTDFGLCKESIHD---THTFCGTIEYMAPEI
General information:
TITO was launched using:
RESULT:
Template:
3WF7.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -103787 for 1181 contacts (-87.9/contact) +
2D Compatibility (PS) -17912 + (NN) -4026 + (LL) 5800
1D Compatibility (HY) -16000 + (ID) 2750
Total energy: -138675.0 ( -117.42 by residue)
QMean score : 0.490
(partial model without unconserved sides chains):
PDB file :
Tito_3WF7.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3WF7-query.scw
PDB file :
Tito_Scwrl_3WF7.pdb
: