Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLNRIIEHMNAHHVEDMKGLLKKFGQVHHAENVAFKSVDPQGIVIGYNNNQTLRIEFNHEVKDPKDYKNAIIELCQSVEKTHDLKGVEEEVKAFRKDFDSVCLATLHPNGHVVCSYAPLMTDGKQYYIYVSEVAEHFAGLKNNPHNVEVMFLEDESKAKSAILRKRLRYKTNARFIERGAEFDKAFDSFIEKTGGAGGIKTIRTMQDFHLIALDFKEGRFVKGFGQAYDILGDKIAYVGDKGNPHNFAHKK
3GAS Chain:A ((2-249))
-LNRIIEHMNAHHVEDMKGLLKKFGQVHHAENVAFKSVDSQGIVIGYNNNQTLRIEFNHEVKDPKDYKNATIELCQSVEKTHDLKGVEEEVKAFKEGFDSVCLATLHPNGHVVCSYAPLMSDGKQYYIYVSEVAEHFAGLKNNPHNVEVMFLEDESKAKSAILRKRLRYKTNTRFIERGAEFDKAFDSFIEKTGGAGGIKTIRAMQDFHLIALDFKEGRFVKGFGQAYDILGDKIAYVGDKGNPHNFAH--
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) -118301 for 1785 contacts (-66.3/contact) +
2D Compatibility (PS) -27452 + (NN) -13343 + (LL) 336
1D Compatibility (HY) -32400 + (ID) 12000
Total energy: -203160.0 ( -113.82 by residue)
QMean score : 0.622
(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
: