Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGAVSCRQGQHTQQGEHTRVAVPHKQGGNIRGPWARGWKSLWTGLGTIRSDLEELWELRGHHYLHQESLKPAPVLVEKPLPEWPVPQFINLFLPEFPIRPIRGQQQLKILGLVAKGSFGTVLKVLDCTQKAVFAVKVVPKVKVLQRDTVRQCKEEVSIQRQINHPFVHSLGDSWQGKRHLFIMCSYCS-TDLYSLWSAVGCFPEASIRLFAAELVLVLCYLHD-LGIMHRDVKMENILLDERGHLKLTDFGLSRHV-PQGAQAYTICGTLQYMGERG
4GV1 Chain:A ((5-179))
-----------------------------------------------------------------------------------------------------VTMNEFEYLKLLGKGTFGKVILVKEKATGRYYAMKILKKEVIVAKDEVAHTLTENRVLQNSRHPFLTALKYSFQTHDRLCFVMEYANGGELFFHLSRERVFSEDRARFYGAEIVSALDYLHSEKNVVYRDLKLENLMLDKDGHIKITDFGLCKEGIKDGATMKTFCGTPEYLAPEV
General information:
TITO was launched using:
RESULT:
Template:
4GV1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -114507 for 1204 contacts (-95.1/contact) +
2D Compatibility (PS) -18559 + (NN) -5834 + (LL) 5708
1D Compatibility (HY) -15200 + (ID) 2800
Total energy: -151192.0 ( -125.57 by residue)
QMean score : 0.440
(partial model without unconserved sides chains):
PDB file :
Tito_4GV1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4GV1-query.scw
PDB file :
Tito_Scwrl_4GV1.pdb
: