Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLNRIIEH-MNAHHVEDM-KGLLKKFGQVHHAENVAFKSVDPQGIVIGYNNNQTLRIEFNHEVKDPKDYKNAIIELCQSVEKTHDLKGVEEEVKAFRKDFDSVCLATLHPNGHVVCSYAPL-MTDGKQYYIYVSEVAEHFAGLKNNPHNVEVM-FLEDESKAKSAILRKRLRYKTNARFIERGAEFDKAFDSFIEKTGGAGGIKTIRTM-QDFHLIALDFKEGRFVKGFGQAYDILGDKIAYVGDKGNPHNFAHKK
3GAS Chain:A ((2-249))
-LNRIIEHMNAHH--VEDMKGLLKKFGQVHHAENVAFKSVDSQGIVIGYNNNQTLRIEFNHEVKDPKDYKNATIELCQSVEKTHDLKGVEEEVKAFKEGFDSVCLATLHPNGHVVCSYAPLMSDGKQ-YYIYVSEVAEHFAGLKNNP-HNVEVMFLEDESKAKSAILRKRLRYKTNTRFIERGAEFDKAFDSFIEKTGGAGG-IKTIRAMQDFHLIALDFKEGRFVKGFGQAYDILGDKIAYVGDKGNPHNFAH--
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) -92853 for 1686 contacts (-55.1/contact) +
2D Compatibility (PS) -26843 + (NN) -12140 + (LL) 940
1D Compatibility (HY) -26000 + (ID) 10750
Total energy: -167646.0 ( -99.43 by residue)
QMean score : 0.568
(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
: