Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSLDWTCKHHADLTLKELYALLQLRTEVFVVEQKCPYQE-VDGLDLVGDTHHLMAWRDGQLLAYLRLLDPVR------HEGQVVIGRVVSSSAARGQGLGHQLMERALQAAERLWLDTPVYLSA---QAHLQAYYGRYGFVAVTEVYLEDDIPHIGMRRA
1S3Z Chain:A ((19-158))
-----SHMDIRQMNKTHLEHWRGLRKQLWPGHPDDAHLADGEEILQADHLASFIAMADGVAIGFADASIRHDYVNGCDSSPVVFLEGIFVLPSFRQRGVAKQLIAAVQRWGTNKGC-REMASDTSPENTISQKVHQALGFEETERVIFYRKRC-------
General information:
TITO was launched using:
RESULT:
Template:
1S3Z.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -67636 for 908 contacts (-74.5/contact) +
2D Compatibility (PS) -13746 + (NN) -557 + (LL) 644
1D Compatibility (HY) -400 + (ID) 750
Total energy: -82445.0 ( -90.80 by residue)
QMean score : 0.388
(partial model without unconserved sides chains):
PDB file :
Tito_1S3Z.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1S3Z-query.scw
PDB file :
Tito_Scwrl_1S3Z.pdb
: