Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTYKDYTGLDRTELLSKVRHMMSDKRFNHVLGVERAAIELAERYGYDKEKAGLAALLHDYAKELSDDEFLRLIDKYQLDPDLKKWGNNIWHGLVGIYKIQED---------LAIKDQDILAAIAKHTVGSAQMSTLDKIVYVADYIEHNRDFPGVEEARELAKVDLNKAVAYETARTVSFLASKAQPIYPKTIETYNAYIPYLD
2DQB Chain:A ((73-200))
----------------------YRTRLTHTLEVAQVSRSIARALGLNEDLTEAIALSHDLGHPPFGHTGEHVLN------ALMQDHGGFEHNAQALRILTHLEVRYPGFRGLNLT-YEVLEGIATHEA--GQGTLEAQVVDLSDAIAYAAHDLDDGFRAGLLHPEELKEVELLQALALEEGLDLLRLPELDRRVLVRQLLGYFI
General information:
TITO was launched using:
RESULT:
Template:
2DQB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -40088 for 804 contacts (-49.9/contact) +
2D Compatibility (PS) -11606 + (NN) -4935 + (LL) 1768
1D Compatibility (HY) -2400 + (ID) 1050
Total energy: -58311.0 ( -72.53 by residue)
QMean score : 0.469
(partial model without unconserved sides chains):
PDB file :
Tito_2DQB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2DQB-query.scw
PDB file :
Tito_Scwrl_2DQB.pdb
: