Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAVTVGVICAIPQELAYLRGVL-VDAKRQQVAQILFDSGQLDAHRVVLAAAGMGKVNTGLTATLLADRFGCRTIVFTGVAGGLDPELCIGDIVIADRVVQHDFGLLTDERLRPYQPGHIPFIEPTERLGYPVDPAVIDRVKHRLDGFTLAPLSTAAGGGGRQPRIYYGTILTGDQYLHCERTRNRLHHELGGMAVEMEGGAVAQICASFDIPWLVIRALSDLAGADSGVDFNRFVGEVAASSARVLLRLLPVLTAC
4WKN Chain:A ((19-245))
----IGILGAMREEITPILELFGVDFEEIPLGGNVFHKGVYHNKEIIVAYSKIGKVHSTLTTTSMILAFGVQKVLFSGVAGSLVKDLKINDLLVATQLVQHDVDLSAFDHPLGFIPESAIFIETSGSLN-----ALAKKIANE-----------------QHIALKEGVIASGDQFVHSKERKEFLVSEFKASAVEMEGASVAFVCQKFGVPCCVLRSISDNADEKAGMSFDEFLEKSAHTSAKFLKSMVDEL---
General information:
TITO was launched using:
RESULT:
Template:
4WKN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -212883 for 2034 contacts (-104.7/contact) +
2D Compatibility (PS) -23964 + (NN) -6680 + (LL) 868
1D Compatibility (HY) -20400 + (ID) 3450
Total energy: -266509.0 ( -131.03 by residue)
QMean score : 0.456
(partial model without unconserved sides chains):
PDB file :
Tito_4WKN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4WKN-query.scw
PDB file :
Tito_Scwrl_4WKN.pdb
: