Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAGLGHPAAFGRATHAVVRALPESLGQHALRSAKGEEVDVARAERQHQLYVGVLGSKLGLQVVELPADESLPDCVFVEDVAVVCEETALITRPGAPSRRKEVDMMKEALEKLQLNIVEMKDENATLDGGDVLFTGREFFVGLSKRTNQRGAEILADTFKDYAVSTVPVADGLHLKSFCSMAGPNLIAIGSSESAQKALKIMQQMSDHRYDKLTVPDDIAANCIYLNIPNKGHVLLHRTPEEYPESAKVYEKLKDHMLIPVSMSELEKVDGLLTCCSVLINKKVDS
2JAJ Chain:A ((13-286))
--------AFGRATHAVVRALPESLGQHALRS--GEEVDVARAERQHQLYVGVLGSKLGLQVVELPADESLPDCVFVEDVAVVCEETALITRPGAPSRRKEVDMMKEALEKLQLNIVEMKDENATLDGGDVLFTGREFFVGLSKRTNQRGAEILADTFKDYAVSTVPVADGLHLKSFCSMAGPNLIAIGSSESAQKALKIMQQMSDHRYDKLTVPDDIAANCIYLNIPNKGHVLLHRTPEEYPESAKVYEKLKDHMLIPVSMSELEKVDGLLTCCSVLINKK---
General information:
TITO was launched using:
RESULT:
Template:
2JAJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -203179 for 2410 contacts (-84.3/contact) +
2D Compatibility (PS) -29739 + (NN) -12004 + (LL) 528
1D Compatibility (HY) -38000 + (ID) 13600
Total energy: -295994.0 ( -122.82 by residue)
QMean score : 0.608
(partial model without unconserved sides chains):
PDB file :
Tito_2JAJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2JAJ-query.scw
PDB file :
Tito_Scwrl_2JAJ.pdb
: