Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNDVLTLLRNHRSFRKYKKGVEIPEEKLDAIIRAAQAAPSWINGQHYSIIAIKDQERKNKMAELCGNQPYIAECS-VFLCF----------VADFH----------------RVKVASDMHGKSFQIAGEEDLLMVAATDIGLCMQNALTAAESLDYGTICIGGLRRNITATAGFLNLPEFVMPVVGLCIGVPDVEAPVKPRLPKEAVYFEETYQTDVMPLLEAYDQEIIPFSEREGFVSYTERLAKFYDRPYYPNLTEQIKERGFLGGK
3GAG Chain:A ((4-184))
-NDYLNFLDGRVSVRRFDPDAVLPNDLIKDMLEHASYAPSGNNFQPWRVVVVKNKNKQEDLKKLAALQPQVATASAVFLLFGDENAYDLTWWQEFHVQKGIITKDEAAARAERIRQYFDLHPEDKETQG-------LRLDVGLFAMNLMQVVRVYGYDSVPMRGV--DFDAIKTYLDMPNGWEPILMLPVG-------------------------------------------------------------------------------
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) -139281 for 1103 contacts (-126.3/contact) +
2D Compatibility (PS) -17321 + (NN) -13245 + (LL) 6484
1D Compatibility (HY) -12000 + (ID) 2050
Total energy: -177413.0 ( -160.85 by residue)
QMean score : 0.493
(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
: