Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSALVGVIMGSKSDWSTLSHTADMLDKLGIPYEVKVVSAHRTPDLLFQYAEEAEGRGLEVIIAGAGGAAHLPGMCAAKTHLPVLGVPVQSSMLSGVDSLLSIVQMPAGVPVATLAIGKAGAVNAALLSASILGAKHPQYHEALKQFRANQTETVLDNPDPRDA
4AY3 Chain:A ((22-167))
-KSLVGVIMGSTSDWETMKYACDILDELNIPYEKKVVSAHRTPDYMFEYAETARERGLKVIIAGAGGAAHLPGMVAAKTNLPVIGVPVQSKALNGLDSLLSIVQMPGGVPVATVAIGKAGSTNAGLLAAQILGSFHDDIHDALELRR----------------
General information:
TITO was launched using:
RESULT:
Template:
4AY3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -136777 for 1266 contacts (-108.0/contact) +
2D Compatibility (PS) -15696 + (NN) -4424 + (LL) 624
1D Compatibility (HY) -17200 + (ID) 5150
Total energy: -178623.0 ( -141.09 by residue)
QMean score : 0.637
(partial model without unconserved sides chains):
PDB file :
Tito_4AY3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4AY3-query.scw
PDB file :
Tito_Scwrl_4AY3.pdb
: