Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNDTGRRILLNCDMGESFGAWRMGDDVHSMPLVDQANLACGFHAGDPLTMRRAVELAVRHGVSIGAHPAYPDLSGFGRRSLACSAEEVHAMVLYQIGALDAFCRSLGTQVAYVKPHGALYNDLVGDDELLRAVLDACAAYRKGLPLMVLALADNGRELELADEADVPLLFEAFADRAYLPDGRLAPRRLGGAVHHDPQRIIEQALAIARGEAFPDYDGNPLRLTADSLCVHGDNPQSLAVLRRLRAALDSL
2XU2 Chain:A ((8-248))
------RILLNCDMGESFGAWRMGDDVHSMPLVDQANLACGFHAGDPLTMRRAVELAVRHGVSIGAHPAYPDLSGFGRRSLACSAEEVHAMVLYQIGALDAFCRSLGTQVAYVKPHGALYNDLVGDDELLRAVLDACAAYRKGLPLMVLALADNGRELELADEADVPLLFEAFADRAYLPDGRLAPRRLGGAVHHDPQRIIEQALAIARGEAFPDYDGNPLRLTADSLCVHGDNPQSLAVLRRLRAA----
General information:
TITO was launched using:
RESULT:
Template:
2XU2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -168624 for 2077 contacts (-81.2/contact) +
2D Compatibility (PS) -26497 + (NN) -11117 + (LL) 280
1D Compatibility (HY) -33200 + (ID) 12000
Total energy: -251158.0 ( -120.92 by residue)
QMean score : 0.527
(partial model without unconserved sides chains):
PDB file :
Tito_2XU2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2XU2-query.scw
PDB file :
Tito_Scwrl_2XU2.pdb
: