Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
VANKFKTLDKMVYNLLLEKIKNGELVPNEHL-AEEKLAREFGVSRSPLRKAIATLTAQGIVSYHENSGAVLNDCIVDADRYVQLMETIEIFVDAAIAKAAHFGYEMDLEKLYARM------------QEMERF-SYLTDLENYFDAHHRFILCLISFAENPYQVRIVKQIFFQMVHFSDGI--NMFKSVEIREWTNKKSNQIYELLAEGKIELARKTIKSMFAELTIQAYR----
2DI3 Chain:A ((2-232))
----SVKAHESVMDWVTEELRSGRLKIGDHLPSERALSETLGVSRSSLREALRVLEALGTISTATGSGPRSGTIITAAPGQALSLSVTLQLVTNQVGHHDIYETRQLLEGWAALHSSAERGDWDVAEALLEKMDDPSLPLEDFLRFDAEFHVVISKGAENPLISTLMEALRLSVADHTVARARALPDWRATSARLQKEHRAILAALRAGESTVAATLIKEHIEGYYEETAAAEAL
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) -110758 for 1516 contacts (-73.1/contact) +
2D Compatibility (PS) -22903 + (NN) -11705 + (LL) 320
1D Compatibility (HY) -3200 + (ID) 2150
Total energy: -150396.0 ( -99.21 by residue)
QMean score : 0.419
(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
: