Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MARPLVEQTADRLLHLILEREYPVGAKLPNEYELAEDLDVGRSTIREAVRSLATRNILEVR----QGSGTYISSKKGVSE-DPLGFSLIKDTDRLTSDLFELRLLLEPRIAELVAYRITDDQLQLLEKLVGDIEDAVHAGDPKHLLLDVEFHSMLAKYSGNIAMDSLLPVINQSIHLINA-N---Y-TNRQMKSDSLEAHREIIKAIREKNPVAAHDAMLMHIMSVRRSALKA
2DI3 Chain:A ((2-227))
-SVKAHESVMDWVTEELRSGRLKIGDHLPSERALSETLGVSRSSLREALRVLEALGTISTATGSGPRSGTIITAAPGQALSLSVTL-QLVTNQVGHHDIYETRQLLEGWAALHSSAERG--DWDVAEALLEKMDDP-SLPLEDFLRFDAEFHVVISKGAENPLISTLMEALRLSVADHTVARARALPDWRATSARLQKEHRAILAALRAGESTVAATLIKEHIEGYYEETAAA
General information:
TITO was launched using:
RESULT:
Template:
2DI3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -94031 for 1592 contacts (-59.1/contact) +
2D Compatibility (PS) -23429 + (NN) -10109 + (LL) 220
1D Compatibility (HY) -4000 + (ID) 2500
Total energy: -133849.0 ( -84.08 by residue)
QMean score : 0.479
(partial model without unconserved sides chains):
PDB file :
Tito_2DI3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2DI3-query.scw
PDB file :
Tito_Scwrl_2DI3.pdb
: