Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTHRLHADAVTLRRDARTVSRNLSLAIPEGSFSVIVGPNACGKSTLLAALSRLLAPAEGRVVLDG-----RDIHSLPGRE----VARRLGLLPQSALAPDGITVAELVARGRYPHQSFLRQWSPADERAVAAALRATRVDGLAERPL---DALSGGQRQRVWIAMVLAQETPLLLLDEPTTYLDIVHQIELLELLAELNRQGRTIVAVLHDLNQACRYASHLIAMRDGAILAEGAPAHIFTERLVEEVFGLRSLIIADPVSGTPLLVPRGIAADAPG
2Q0H Chain:B ((39-247))
------------------VLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKAKDTNLNKVREEVGMVFQRFNLFPHMTVL-NNITLAPMKVR-KWPR-----------EKAEAKAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANEGMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLF-------------------------------------
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) -123602 for 1492 contacts (-82.8/contact) +
2D Compatibility (PS) -21365 + (NN) -7797 + (LL) 4268
1D Compatibility (HY) -14000 + (ID) 3650
Total energy: -166146.0 ( -111.36 by residue)
QMean score : 0.461
(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
: