Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MILDYNKLKQETKAIVVDIIERSALKKGQIFVLGLSSSEVSGGLIGKNSSSEIGEIIVEVILKELHSRGIYLAVQGCEHVNRALVVEAELAERQQLEVVNVVPNLHAGGSGQVAAFKLMTSPVEVEEIVAHAGIDIGDTSIGMHIKRVQVPLIPISRELGGAHVTALASRPKLIGGARAGYTSDPIRKF
3IJW Chain:A ((18-67))
-------------KTITNDLRKLGLKKGMTVIVHSSLSSI-GWISGG------AVAVVEALMEVITEEGTIIMPTQSSDLSDPKHWSRPPVPEEWWQIIRDNVPAFEPHITPTRAMGKVVECFRTYPNVVRSNHPLGSFAAWGRHAEEITVNQSLSMSLGEESPLRKIYDLDGYILLIGVGYDSNTSVH
General information:
TITO was launched using:
RESULT:
Template:
3IJW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -29375 for 270 contacts (-108.8/contact) +
2D Compatibility (PS) -5349 + (NN) -1665 + (LL) 1284
1D Compatibility (HY) -1600 + (ID) 550
Total energy: -37255.0 ( -137.98 by residue)
QMean score : 0.475
(partial model without unconserved sides chains):
PDB file :
Tito_3IJW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IJW-query.scw
PDB file :
Tito_Scwrl_3IJW.pdb
: