Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPAVIGVIMGSTSDWDTMKKACDVLDELEIAYEKKVVSAHRTPDLMFQYAEQARERGLKIIIAGAGGAAHLPGMVAAKTTLPVIGVPIKSKALNGMDSLLSIVQMPGGVPVATVAIGESGAVNAGLLAAQILSITDDAITNRLQKRRATLEETVLESSDYLG
4AY4 Chain:D ((21-179))
MKSLVGVIMGSTSDWETMKYACDILDELNIPYEKKVVSAHRTPDYMFEYAETARERGLKVIIAGAGGAAHLPGMVAAKTNLPVIGVPVQSKALNGLDSLLSIVQMPGGVPVATVAIGKAGSTNAGLLAAQILGSFHDDIHDALELRREAIEKDVREGSE---
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) -126010 for 1329 contacts (-94.8/contact) +
2D Compatibility (PS) -17107 + (NN) -5811 + (LL) 96
1D Compatibility (HY) -19200 + (ID) 6000
Total energy: -174032.0 ( -130.95 by residue)
QMean score : 0.639
(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
: