Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNQPTPSDTDQQQALEAFLRDGGTLAMLRGLSEDTLEQLYALGFNQYQAGKWDDAQKIFQALCMLDHYDARYFLGLGACRQSLGLYEQALQSYSYGALMDINEPRFPFHAAECHLQLGDLDGAESGFYSARALAAAQPAHEALAARAGAMLEAVTARKDRAYESDNA
2VGX Chain:A ((22-154))
---------------------GGTIAMLNEISSDTLEQLYSLAFNQYQSG-YEDAH-VFQALCVLDHYDSRFFLGLGACRQAMGQYDLAIHSYSYGAVMDI-EPRFPFHAAECLLQ-GELAEAESGLFLAQELIAN-PEF-ELSTRVSSMLEAI-------------
General information:
TITO was launched using:
RESULT:
Template:
2VGX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -60397 for 935 contacts (-64.6/contact) +
2D Compatibility (PS) -13572 + (NN) -5273 + (LL) 2284
1D Compatibility (HY) -16800 + (ID) 4200
Total energy: -97958.0 ( -104.77 by residue)
QMean score : 0.507
(partial model without unconserved sides chains):
PDB file :
Tito_2VGX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2VGX-query.scw
PDB file :
Tito_Scwrl_2VGX.pdb
: