Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRKFLSKTHHHTNPLWRVYRLVKFSKVFKNVIIIEFSKFIPSMVLKRHIYKQLLNINIGNQSSIAYKVMLDIFYPELITIGSNSVIGYNVTILTHEALVD-------EFRYGPVTIGSNTLIGANATILPGITIGDNVKVAAGTVVSKDIPDNGFAYGNPMYIKMIRR
3NZ2 Chain:A ((76-187))
------------------------------------------------------TIRIGDHTFINMNVVML--DGAPITIGDHVLIGPSTQFYTASHSLDYRRRQAWETICKPIVIEDDVWIGGNVVINQGVTIGARSVVAANSVVNQDVPPDTLVGGTPARILRSLK
General information:
TITO was launched using:
RESULT:
Template:
3NZ2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -79765 for 790 contacts (-101.0/contact) +
2D Compatibility (PS) -11303 + (NN) -1141 + (LL) 5652
1D Compatibility (HY) -6000 + (ID) 1700
Total energy: -94257.0 ( -119.31 by residue)
QMean score : 0.527
(partial model without unconserved sides chains):
PDB file :
Tito_3NZ2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NZ2-query.scw
PDB file :
Tito_Scwrl_3NZ2.pdb
: