Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSAILETKGLKKTYQNHLVLDGINFTLNKGEVAVILGPSGCGKSTFLKCLNGLEKIDEGEILFENTNLNTPSTNWNQMRQKIGMVFQNYELFPHLNVLDNILLAPLKVQKRSKDEVLSQAVELLKRVGLEHKQQAYPKELSGGQKQRVAIVRSLCMRPKIMLFDEVTASLDPEMVKEVLEVILELAKTGMSMVIVTHEMKFAQKIASKIVFFDSGKIAEENSAKEFFNHPKSQRAQKFLETFHFLGSC
3C41 Chain:J ((3-238))
---MIDVHQLKKSFGSLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKAKDTNLNKVREEVGMVFQRFNLFPHMTVLNNITLAPMKVRKWPREKAEAKAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANEGMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLFDRPQHERTKAFLSKVF-----
General information:
TITO was launched using:
RESULT:
Template:
3C41.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -162926 for 1953 contacts (-83.4/contact) +
2D Compatibility (PS) -25213 + (NN) -10437 + (LL) 788
1D Compatibility (HY) -28000 + (ID) 6200
Total energy: -231988.0 ( -118.79 by residue)
QMean score : 0.595
(partial model without unconserved sides chains):
PDB file :
Tito_3C41.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3C41-query.scw
PDB file :
Tito_Scwrl_3C41.pdb
: