Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSKVRGFELVSQFSNKELLPKRETAHAAGYDLKVAKKTVIEPGEITLVPTGIKAHMQPGEVLYLYDRSSNPRKKGIVLINSVGVIDGDYYNNQVNEGHIFAQMQNITDQAVILEEGERIVQAVFAPFL-----LADDDQATGMRTGGFGSTGK
3CA9 Chain:A ((21-141))
--------LVKKLVESATTPMRGSEGAAGYDISSVEDVVVPAMGRIAVSTGISIRVPDGTYGRIAPRSGLAYKYGIDVL--AGVIDEDY------TGEVKVILYNTTERDYIIKKGDRIAQLILEQIVTPGVAVVLD----------------
General information:
TITO was launched using:
RESULT:
Template:
3CA9.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -56122 for 811 contacts (-69.2/contact) +
2D Compatibility (PS) -12689 + (NN) -4065 + (LL) 616
1D Compatibility (HY) -6400 + (ID) 1750
Total energy: -80410.0 ( -99.15 by residue)
QMean score : 0.403
(partial model without unconserved sides chains):
PDB file :
Tito_3CA9.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3CA9-query.scw
PDB file :
Tito_Scwrl_3CA9.pdb
: