Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAMVNTTTRLSDDALAFLSERHLAMLTTLRADNSPHVVAVGFTFDPKTHIARVITTGGSQKAVNADRSG-LAVLSQVDG---------ARWLSLEGRAAVNSDIDAVRDAELRYAQRYRTP------RPNPRRVVIEVQIERVLGSADLLDRA
3GAS Chain:A ((84-225))
------LKGVEEEVKAFKEGFDSVCLATLHPNGHVVCSYAPLMSDGK--QYYIYVSEVAEHFAGLKNNPHNVEVMFLEDESKAKSAILRKRLRYKTNTRFIERGAEFDKAFDSFIEKTGGAGGIKTIRAMQDFHLIALDFKEGRFVKGFG---
General information:
TITO was launched using:
RESULT:
Template:
3GAS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -27610 for 860 contacts (-32.1/contact) +
2D Compatibility (PS) -14440 + (NN) -9667 + (LL) 988
1D Compatibility (HY) -1200 + (ID) 550
Total energy: -52479.0 ( -61.02 by residue)
QMean score : 0.469
(partial model without unconserved sides chains):
PDB file :
Tito_3GAS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3GAS-query.scw
PDB file :
Tito_Scwrl_3GAS.pdb
: