Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRVLIAEDEEQMSRVLSTAISHQGYVVDVAYDGQTAIDLANQNAYDVMVMDVMMPVKTGVEAVKEIRQSGNKSHIIMLTAMAEIDDRVTGLDAGADDYLTKPFSLKELLARLRSMSRRLEDFTP----NVLSLGRVTLSVGEQE-LQCENTIRLAGKEAKMLAFFMLNHDKELSTQQLFEHVWGADKDQEDVDEGYVFIYVSYLRQKLQAIS-ANLEIIGQEGSSYKLSEINGG
2OQR Chain:A ((6-229))
-SVLIVEDEESLADPLAFLLRKEGFEATVVTDGPAALAEFDRAGADIVLLDLMLPGMSGTDVCKQLRAR-SSVPVIMVTARDSEIDKVVGLELGADDYVTKPYSARELIARIRAVLRRGGDDDSEMSDGVLESGPVRMDVERHVVSVNGDTITLPLKEFDLLEYLMRNSGRVLTRGQLIDRVWGAD--Y-VGDTKTLDVHVKRLRSKIEADPANPVHLVTVRGLGYKLE-----
General information:
TITO was launched using:
RESULT:
Template:
2OQR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -76110 for 1527 contacts (-49.8/contact) +
2D Compatibility (PS) -23201 + (NN) -10175 + (LL) 12
1D Compatibility (HY) -14000 + (ID) 3800
Total energy: -127274.0 ( -83.35 by residue)
QMean score : 0.381
(partial model without unconserved sides chains):
PDB file :
Tito_2OQR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2OQR-query.scw
PDB file :
Tito_Scwrl_2OQR.pdb
: