Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKNYSYKNIQAIDFTQLNDEEKLLVLEFRNHPNTALWMYSANISLKTHLQFIEDLKNSPSHRYFLFKEESVYLGVGSITKINFFHKHGYLGIYKNPFLKNKG--GTILKALERIAFEEFQLNSLHLEVMENNFKAIAFYEKNHYELEGRLKGFISKDKEFIDVLLYYKDKKGYNDQSPLKL
4MHD Chain:A ((74-169))
-------------------------------------------------------IHDNAERRFVVEDAQKNLIGLVELIEINYIHRSAEFQIIIAPEHQGKGFARTLINRALDYSFTILNLHKIYLHVAVENPKAVHLYEECGFVEEGHLVEEFFINGRYQDVKRMYILQSKYLNR-----
General information:
TITO was launched using:
RESULT:
Template:
4MHD.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -38359 for 531 contacts (-72.2/contact) +
2D Compatibility (PS) -10112 + (NN) -2254 + (LL) 4624
1D Compatibility (HY) -7600 + (ID) 1100
Total energy: -54801.0 ( -103.20 by residue)
QMean score : 0.456
(partial model without unconserved sides chains):
PDB file :
Tito_4MHD.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4MHD-query.scw
PDB file :
Tito_Scwrl_4MHD.pdb
: