Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAGLGHPAAFGRATHAVVRALPESLGQHALRSAKGEEVDVARAERQHQLYVGVLGSKLGLQVVELPADESLPDCVFVEDVAVVCEETALITRPGAPSRRKEVDMMKEALEKLQLNIVEMKDENATLDGGDVLFTGREFFVGLSKRTNQRGAEILADTFKDYAVSTVPVADGLHLKSFCSMAGPNLIAIGSSESAQKALKIMQQMSDHRYDKLTVPDDIAANCIYLNIPNKGHVLLHRTPEEYPESAKVYEKLKDHMLIPVSMSELEKVDGLLTCCSVLINKKVDS
3P8E Chain:B ((32-305))
--------AFGRATHAVVRALPESLGQHALRS--GEEVDVARAERQHQLYVGVLGSKLGLQVVELPADESLPDCVFVEDVAVVCEETALITRPGAPSRRKEVDMMKEALEKLQLNIVEMKDENATLDGGDVLFTGREFFVGLSKRTNQRGAEILADTFKDYAVSTVPVADGLHLKSFCSMAGPNLIAIGSSESAQKALKIMQQMSDHRYDKLTVPDDIAANCIYLNIPNKGHVLLHRTPEEYPESAKVYEKLKDHMLIPVSMSELEKVDGLLTCCSVLINKK---
General information:
TITO was launched using:
RESULT:
Template:
3P8E.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -191180 for 2390 contacts (-80.0/contact) +
2D Compatibility (PS) -29689 + (NN) -12686 + (LL) 528
1D Compatibility (HY) -38000 + (ID) 13600
Total energy: -284627.0 ( -119.09 by residue)
QMean score : 0.590
(partial model without unconserved sides chains):
PDB file :
Tito_3P8E.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3P8E-query.scw
PDB file :
Tito_Scwrl_3P8E.pdb
: