Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPAVIGVIMGSTSDWDTMKKACDVLDELEIAYEKKVVSAHRTPDLMFQYAEQARERGLKIIIAGAGGAAHLPGMVAAKTTLPVIGVPIKSKALNGMDSLLSIVQMPGGVPVATVAIGESGAVNAGLLAAQILSITDDAITNRLQKRRATLEETVLESSDYLG
4AY4 Chain:B ((22-179))
-KSLVGVIMGSTSDWETMKYACDILDELNIPYEKKVVSAHRTPDYMFEYAETARERGLKVIIAGAGGAAHLPGMVAAKTNLPVIGVPVQSKALNGLDSLLSIVQMPGGVPVATVAIGKAGSTNAGLLAAQILGSFHDDIHDALELRREAIEKDVREGSE---
General information:
TITO was launched using:
RESULT:
Template:
4AY4.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -128075 for 1320 contacts (-97.0/contact) +
2D Compatibility (PS) -17180 + (NN) -7029 + (LL) 304
1D Compatibility (HY) -18800 + (ID) 5950
Total energy: -176730.0 ( -133.89 by residue)
QMean score : 0.630
(partial model without unconserved sides chains):
PDB file :
Tito_4AY4.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4AY4-query.scw
PDB file :
Tito_Scwrl_4AY4.pdb
: