Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSALVGVIMGSKSDWSTLSHTADMLDKLGIPYEVKVVSAHRTPDLLFQYAEEAEGRGLEVIIAGAGGAAHLPGMCAAKTHLPVLGVPVQSSMLSGVDSLLSIVQMPAGVPVATLAIGKAGAVNAALLSASILGAKHPQYHEALKQFRANQTETVLDNPDPRDA
4AY4 Chain:A ((22-167))
-KSLVGVIMGSTSDWETMKYACDILDELNIPYEKKVVSAHRTPDYMFEYAETARERGLKVIIAGAGGAAHLPGMVAAKTNLPVIGVPVQSKALNGLDSLLSIVQMPGGVPVATVAIGKAGSTNAGLLAAQILGSFHDDIHDALELRR----------------
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) -134509 for 1270 contacts (-105.9/contact) +
2D Compatibility (PS) -15514 + (NN) -2979 + (LL) 624
1D Compatibility (HY) -17200 + (ID) 5150
Total energy: -174728.0 ( -137.58 by residue)
QMean score : 0.647
(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
: