Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDPAEVPTASPLLETVGLACERDWRMLFERLDLRLAAGEMLQVVGPNGSGKTSLLRLLSGLMQPTAGEVRLNGRPLAE---QRGELARSLLWIGHAAGIKGLLSAEENLTWLCALHQ----PASREAIWQALADVGLRGFEDVPCHTLSAGQQRRVALARLYLDAPPLWILDEPFTALDKQGVAQLETHLAGHCQRGGMVVLTTHHSLQQVPAGYRELDLGALKAASGATVEPALGDPA
2OLJ Chain:A ((22-250))
----------LQMIDVHQLKKSFGSLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKAKDTNLNKVREEVGMVFQRFNLFPHMTVLNNITLAPMKVRKWPREKAEAKAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANEGMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLFDRPQ
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) -137044 for 1835 contacts (-74.7/contact) +
2D Compatibility (PS) -24303 + (NN) -12961 + (LL) 460
1D Compatibility (HY) -10400 + (ID) 2500
Total energy: -186748.0 ( -101.77 by residue)
QMean score : 0.395
(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
: