Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSKVRGFELVSQFSNKELL-----PKRETAHAAGYDLKVAKKTVIEPGEITLVPTGIKAHMQPGEVLYLYDRSSNPRKKGIVLINSVGVIDGDYYNNQVNEGHIFAQMQNITDQAVILEEGERIVQAVF-------APFLLADDDQATGMRTGGFGSTGK
3CA9 Chain:B ((16-141))
--------FMSSLLVKKLVESATTPMRGSEGAAGYDISSVEDVVVPAMGRIAVSTGISIRVPDGTYGRIAPRSGLAYKYGIDVL--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) -46976 for 765 contacts (-61.4/contact) +
2D Compatibility (PS) -12493 + (NN) -4576 + (LL) 464
1D Compatibility (HY) -8000 + (ID) 1800
Total energy: -73381.0 ( -95.92 by residue)
QMean score : 0.430
(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
: