Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSRTVSKLVINNLDLYYGEFHALKDVNLDIEEKEITAFIGPSGCGKSTLLKSINRMNDLVKNCKITGDITLEGEDVYRQLDINQLRKKVGMVFQKPNPFP-MSIYDNVAFGPRT--HGIHSKAELDDIVERSLKQAALWDEV--KDRLHKSALGMSGGQQQRLCIARALAIEPDVLLMDEPTSALDPISTAKIEELVIQL-KKNYTIVIVTHNMQQAVRISDKTAFFLMGEVVEYNKTSQLFSLPQDERTENYITGRFG
3C4J Chain:B ((22-263))
----LQMIDVHQLKKSFGSLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKAKDT----NLNKVREEVGMVFQRFNLFPHMTVLNNITLAPMKVRKWPREKAEA--------KAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANEGMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLFDRPQHERTKAFLSKVF-
General information:
TITO was launched using:
RESULT:
Template:
3C4J.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -108061 for 1926 contacts (-56.1/contact) +
2D Compatibility (PS) -25887 + (NN) -9286 + (LL) 1244
1D Compatibility (HY) -18800 + (ID) 4700
Total energy: -165490.0 ( -85.92 by residue)
QMean score : 0.384
(partial model without unconserved sides chains):
PDB file :
Tito_3C4J.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3C4J-query.scw
PDB file :
Tito_Scwrl_3C4J.pdb
: