Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTYLNNDFEDLMKNRRSIREYDETVKISQEEMKAILEDAVTAPSSVNMQPWRFVVVESDAGKEKLSSLVRFNTRQNESSSAMILVFGDLQNFE-NGEKIYGESVERGLMPAEVKEQQMAKLSQYFASIPRSEAERVVLIDGGIVAMQLMLVARAHGYDTNPIGGFERTEVAEAFNMDPERYVPVMIVSIGKAKNSGYQSYRLPITDVTTFA
3GAG Chain:A ((2-204))
---MMNDYLNFLDGRVSVRRFDPDAVLPNDLIKDMLEHASYAPSGNNFQPWRVVVVKNKNKQEDLKK-LAALQPQVATASAVFLLFGDENAYDLTWWQEF--HVQKGIITKDEAAARAERIRQYFDLHPEDKETQGLRLDVGLFAMNLMQVVRVYGYDSVPMRGVDFDAIKTYLDMP-NGWEPILMLPVGKALQAGNPHVRKSVAEFAEI-
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) -64902 for 1467 contacts (-44.2/contact) +
2D Compatibility (PS) -22030 + (NN) -12981 + (LL) 464
1D Compatibility (HY) -16000 + (ID) 2800
Total energy: -118249.0 ( -80.61 by residue)
QMean score : 0.528
(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
: