Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTYLNNDFEDLMKNRRSIREYDETVKISQEEMKAILEDAVTAPSSVNMQPWRFVVVESDAGKEKLSSLVRFNTRQNESSSAMILVFGDLQNFENGEKI--YGE-SVERGLMPAEVKEQQMAKLSQYFASIPRSEAERVVLIDGGIVAMQLMLVARAHGYDTNPIGGFERTEVAEAFNMDPERYVPVMIVSIGKAKNSGYQSYRLPITDVTTFA
3GAG Chain:A ((4-195))
-----NDYLNFLDGRVSVRRFDPDAVLPNDLIKDMLEHASYAPSGNNFQPWRVVVVKNKNKQEDLKKLAALQP-QVATASAVFLLFGD----ENAYDLTWWQEFHVQKGIITKDEAAARAERIRQYFDLHPEDKETQGLRLDVGLFAMNLMQVVRVYGYDSVPMRGVDFDAIKTYLDM-PNGWEPILMLPVGKALQAGNPHVR----------
General information:
TITO was launched using:
RESULT:
Template:
3GAG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -62335 for 1413 contacts (-44.1/contact) +
2D Compatibility (PS) -21020 + (NN) -14552 + (LL) 1608
1D Compatibility (HY) -16000 + (ID) 3050
Total energy: -115349.0 ( -81.63 by residue)
QMean score : 0.514
(partial model without unconserved sides chains):
PDB file :
Tito_3GAG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3GAG-query.scw
PDB file :
Tito_Scwrl_3GAG.pdb
: