Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNRLIMNLVTKSAINFTAPAVLPNGEIVDDFCLSEHIKGKYAILLFYPLDFTFVCPTELISLNNRISEFAKRDVEVIGISVDSKFSHYQWRKTSVSNGGIGEISYTLVSDIKKSISRDYGVLYDDSIALRATFVIDDKFIVRHQSINDMPLGRNMDEFIRIVDAIKHNEEHGEVCPAGWKKGKPAMQASDEGVTDYLNSYSEEL
2I81 Chain:A ((5-194))
--------VGKEAPFFKAEAVFGDNSF-GEVNLTQFIGKKYVLLYFYPLDFTFVCPSEIIALDKALDAFHERNVELLGCSVDSKYTHLAWKKTPLAKGGIGNIKHTLLSDITKSISKDYNVLFDDSVSLRAFVLIDMNGIVQHLLVNNLAIGRSVDEILRIIDAIQHHEKYGDVCPANWQKGKVSMKPSEEGVAQYLST-----
General information:
TITO was launched using:
RESULT:
Template:
2I81.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -114150 for 1418 contacts (-80.5/contact) +
2D Compatibility (PS) -19973 + (NN) -2062 + (LL) 1552
1D Compatibility (HY) -24800 + (ID) 4850
Total energy: -164283.0 ( -115.86 by residue)
QMean score : 0.481
(partial model without unconserved sides chains):
PDB file :
Tito_2I81.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2I81-query.scw
PDB file :
Tito_Scwrl_2I81.pdb
: