Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSLSLDGVDLVHADGQRALADIRLRLAAGERVALIGPSGAGKTSLLRVLASQWRPSAGRVELLGEEPWALSAAARQRLRARIGLVHQAPPLPPRQRVVSAVLAG--RLGQWPLWKSLVSLVYPLDRAGAHDALQRLDLGDKLFQRCDQLSGGQLQRVGIARVLYQRAELILADEPVSAMDPVLAGHTLALLNREAAARGSTLLASLHAVDLALQHFPRVIGLRAGRIA--------FDLPAGEVDRAALDALYANEQLQAERASPAGEPAVMHIPRC
2Q0H Chain:A ((38-263))
----------------EVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKA-KDTNLNKVREEVGMVFQRFNLFPHMTVLNNITLAPMKVRKWPREKA---------EAKAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVM-KQLANEGMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLFDRPQHERTKAFLSKVF------------------------
General information:
TITO was launched using:
RESULT:
Template:
2Q0H.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -134779 for 1680 contacts (-80.2/contact) +
2D Compatibility (PS) -23108 + (NN) -15209 + (LL) 3308
1D Compatibility (HY) -12400 + (ID) 3600
Total energy: -185788.0 ( -110.59 by residue)
QMean score : 0.473
(partial model without unconserved sides chains):
PDB file :
Tito_2Q0H.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2Q0H-query.scw
PDB file :
Tito_Scwrl_2Q0H.pdb
: