Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNAASRQPSTLPADALLAVDGVSLEYRTRSRVVRATQRVSFEVDPADRFVLLGPSGCGKSTLLKAVAGFITPSEGEIRLQGQAVRAPGPDRI-------VVFQEFDQLPPWKTVRQNVLFPLRVSGQVTRDEAERRADECLEKVGLAGFAEAYPHTLSGGMKARVAIARALAMQPKILLMDEPFAALDALTRRKMQEELLRLWEEVR---FTLLFVTHSIEEALVVGNRILLLSPHPGRVRAEVHGHPFGLHSLGGEPLQAAARRIHRLLFDEGGEPTAAATLDFADIRLAH
2Q0H Chain:A ((43-233))
--------------------------------------INVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKAKDTNLNKVREEVGMVFQRFNLFPHMTVLNNITLAPMKVR-KWPREKAEAKAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDP----EMVGEVLSVMKQLANEGMTMVVVTHEMGFAREVGDRVLFMD----------------------------------------------------------
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) -104171 for 1365 contacts (-76.3/contact) +
2D Compatibility (PS) -19949 + (NN) -10798 + (LL) 6256
1D Compatibility (HY) -18800 + (ID) 3700
Total energy: -151162.0 ( -110.74 by residue)
QMean score : 0.540
(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
: