Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
VANKFKTLDKMVYNLLLEKIKNGELVPNEHLA-EEKLAREFGVSRSPLRKAIATLTAQGIVSYH----ENSGAVLNDCIVD-------------ADRYVQLMETIEIFVDAAIAKAAHFGYEMDLEKLYARMQEMERFSYLTDLENYFDAHHRFILCLISFAENPYQVRIVKQIFFQMVHFSDG-INMF-KSVEIREWTNKKSNQIYELLAEGKIELARKTIKSMFAELTIQAYR
2DI3 Chain:A ((2-226))
----SVKAHESVMDWVTEELRSGRLKIGDHLPSERALSETLGVSRSSLREALRVLEALGTISTATGSGPRSGTIITAAPGQALSLSVTLQLVTNQVGHHDIYETRQLLEGWAALHSSAERG--DWDVAEALLEKMDDP--SLPLEDFLRFDAEFHVVISKGAENPLISTLMEALRLSVADHTVARARALPDWRATSARLQKEHRAILAALRAGESTVAATLIKEHIEGYYEET--
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) -141619 for 1491 contacts (-95.0/contact) +
2D Compatibility (PS) -22257 + (NN) -9780 + (LL) 888
1D Compatibility (HY) -2800 + (ID) 2100
Total energy: -177668.0 ( -119.16 by residue)
QMean score : 0.547
(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
: