Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAYKGYLIDLDGTIYKGKSRIPAGERFIERLQEKGIPYMLVTNNTTRTPESVQEMLRGFNVETPLETIYTATMATVDY-MNDMNRGKTAYVIGEEGLKKAIADAGYVEDTKNPAYVVVGLDWNVTYDKLATATLAIQNGALFIGTNPDLNIPTERGLLPGAGSLNALLEAATRIKPVFI-GKPNAIIMNKALEILNIPRNQAVMVGDNYLTDIMAGINNDIDTLLVTTGFTTVEEVPDLPIQPSYVLASLDEWTFNEG
1VJR Chain:A ((20-266))
-----FILDMDGTFYLDDSLLPGSLEFLETLKEKNKRFVFFTNNSSLGAQDYVRKLRNMGVDVPDDAVVTSGEITAEHMLKRFGRCRI-FLLGTPQLKKVFEAYGHVIDEENPDFVVLGFDKTLTYERLKKACILLRKGKFYIATHPDINCPSKEGPVPDAGSIMAAIEASTGRKPDLIAGKPNPLVVDVISEKFGVPKERMAMVGDRLYTDVKLGKNAGIVSILVLTGETTPEDLERAETKPDFVFKNLGELAKAVQ
General information:
TITO was launched using:
RESULT:
Template:
1VJR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -137775 for 2067 contacts (-66.7/contact) +
2D Compatibility (PS) -26950 + (NN) -15290 + (LL) 480
1D Compatibility (HY) -18800 + (ID) 4200
Total energy: -202535.0 ( -97.99 by residue)
QMean score : 0.617
(partial model without unconserved sides chains):
PDB file :
Tito_1VJR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1VJR-query.scw
PDB file :
Tito_Scwrl_1VJR.pdb
: