Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSRTVSKLVINNLDLYYGEFHALKDVNLDIEEKEITAFIGPSGCGKSTLLKSINRMNDLVKNCKITGDITLEGEDVYR-QLDINQLRKKVGMVFQKPNPFP-MSIYDNVAFGPRTHGIHSKAELDDIVERSLKQAALWDEVKDRLHKSALGMSGGQQQRLCIARALAIEPDVLLMDEPTSALDPISTAKIEELVIQLK-KNYTIVIVTHNMQQAVRISDKTAFFLMGEVVEYNKTSQLFSLPQDERTENYITGRFG
2OLJ Chain:A ((22-262))
----LQMIDVHQLKKSFGSLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDF-----DEGEIIIDGINLKAKDTNLNKVREEVGMVFQRFNLFPHMTVLNNITLAPMKVRKWPREKAEAKAMELLDKVGLKD----KAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANEGMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLFDRPQHERTKAFLSKVF-
General information:
TITO was launched using:
RESULT:
Template:
2OLJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -112397 for 1988 contacts (-56.5/contact) +
2D Compatibility (PS) -25983 + (NN) -10430 + (LL) 1044
1D Compatibility (HY) -16800 + (ID) 4300
Total energy: -168866.0 ( -84.94 by residue)
QMean score : 0.462
(partial model without unconserved sides chains):
PDB file :
Tito_2OLJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2OLJ-query.scw
PDB file :
Tito_Scwrl_2OLJ.pdb
: