Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSQQHDYVIGKNAVIETLKSDRKLYKLWMAENTVKGQAQQVIELAKKQGITIQYVPRKKLDQMVTGQHQGVVAQVAAYEY-AELDDLYKAAEEKNEQPFFLILDELEDPHNLGSIMRTADAVGAHGIVIPKRRAVGLTTT-VAKASTGAIEHIPVARVTNLARTLEEMKERGIWVVGTDASAREDFRNM-DGNMPLALVIGSEGKGMGRLVKEKCDFLIKLPMAGKVTSLNASVAAGLLMYEVYRKRNPVGE
3NK6 Chain:A ((40-259))
-------------LMECIRAGVQFIEVYGSSGTPLDPA--LLDLCRQREIPVRLIDVSIVNQLF-----AKVFGIARVPRPARLADI---AERGGD---VVVLDGVKIVGNIGAIVRTSLALGAAGIVLVDSDLATIADRRLLRASRGYVFSLPVV-LADREEAVSFLRDNDIALMVLDTDGDLGVKDLGDRADRMALVFGSEKGGPSGLFQEASAGTVSIPMLSSTESLNVSVSVGIALHE----------
General information:
TITO was launched using:
RESULT:
Template:
3NK6.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -132668 for 1668 contacts (-79.5/contact) +
2D Compatibility (PS) -23418 + (NN) -7363 + (LL) 2200
1D Compatibility (HY) -18000 + (ID) 2600
Total energy: -181849.0 ( -109.02 by residue)
QMean score : 0.542
(partial model without unconserved sides chains):
PDB file :
Tito_3NK6.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NK6-query.scw
PDB file :
Tito_Scwrl_3NK6.pdb
: