Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGQKVNPVGLRIGVIRDWESKWYAGK-DYADFLHEDLKIREYISKRLSDASVSKVEIERAANRVNITIHTAKPGMVIGKGGSEVEALRKALNSLTGKRVHINILEIKRADLDAQLVADNIARQLENRVSFRRAQKQQIQRTMRAGAQGVKTMVSGRLGGADIARSEYYSEGTVPLHTLRADIDYATSEADTTYGKLGVKVWIYRGEVLPTKKKNEEGGK
4AQY Chain:C ((2-207))
-GNKIHPIGFRLGITRDWESRWYAGKKQYRHLLLEDQRIRGLLEKELYSAGLARVDIERAADNVAVTVHVAKPGVVIGRGGERIRVLREELAKLTGKNVALNVQEVQNPNLSAPLVAQRVAEQIERRFAVRRAIKQAVQRVMESGAKGAKVIVSGRIGGAEQARTEWAAQGRVPLHTLRANIDYGFALARTTYGVLGVKAYIFLGEV------------
General information:
TITO was launched using:
RESULT:
Template:
4AQY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -52807 for 1534 contacts (-34.4/contact) +
2D Compatibility (PS) -22073 + (NN) -9457 + (LL) 336
1D Compatibility (HY) -20000 + (ID) 5450
Total energy: -109451.0 ( -71.35 by residue)
QMean score : 0.396
(partial model without unconserved sides chains):
PDB file :
Tito_4AQY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4AQY-query.scw
PDB file :
Tito_Scwrl_4AQY.pdb
: