Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSQQHDYVIGKNAVIETLKSDRKLYKLWMAENTVKGQAQQVIELAKKQGITIQYVPRKKLDQMVTGQHQGVVAQVAAYEYAELDDLYKAAEEKNEQPFFLILDELEDPHNLGSIMRTADAVGAHGIVIPKRRAVGLTTTVA-KASTGAIEHIPVARVT--NLARTLEEMKERGIWVVGTDASA-REDFRNMDGNMPLALVIGSEGKGMGRLVKEKCDFLIKLPMAGKVTSLNASVAAGLLMYEVYRKRNPVGE
2HA8 Chain:A ((23-177))
---------------------------------------------------------------------------------------------SISRLIVVASLIDKPTNLGGLCRTCEVFGASVLVVGSLQ--CISDKQFQHLSVSAEQWLPLVEVKPPQLIDYLQQKKTEGYTIIGVEQTAKSLDLTQYCFPEKSLLLLGNEREGIPANLIQQLDVCVEIPQQGIIRSLNVHVSGALLIWEYTRQQLL---
General information:
TITO was launched using:
RESULT:
Template:
2HA8.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -105318 for 1175 contacts (-89.6/contact) +
2D Compatibility (PS) -17213 + (NN) -11013 + (LL) 8864
1D Compatibility (HY) -12400 + (ID) 1750
Total energy: -138830.0 ( -118.15 by residue)
QMean score : 0.579
(partial model without unconserved sides chains):
PDB file :
Tito_2HA8.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2HA8-query.scw
PDB file :
Tito_Scwrl_2HA8.pdb
: