Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLEIKNLSKKFDQKTILDNVNITLQDGEILSIVGPSGGGKTTLLRCISGLEKMDAGEILIDG--EKIDPMSRKDVENTIGVVFQEFHLFPHLSVLDNLILAPTLARKTKKADAVKEAERLLGLLDLADKANSMPYQLSGGQKQRVAIARALAMNPKVLLFDEPTSALDPDLRDHVAALILSLKKVGITQIIVTHDHTFAEKVADQMMEVEPLKKEAI
2Q0H Chain:A ((24-230))
MIDVHQLKKSFGSLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKAKDTNLNKVREEVGMVFQRFNLFPHMTVLNNITLAPMKVRKWPREKAEAKAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANEGMTMVVVTHEMGFAREVGDRVL----------
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) -119364 for 1631 contacts (-73.2/contact) +
2D Compatibility (PS) -22442 + (NN) -10585 + (LL) 1016
1D Compatibility (HY) -22000 + (ID) 4750
Total energy: -178125.0 ( -109.21 by residue)
QMean score : 0.557
(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
: