Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSSTLFITGATSGFGEACARRFAEAG---WSLVLTGRREERLQALAGELSAK---TRVLPLTLDVRDRAAMSAAVDNLPEEFATLRGLINNAGLALGTDPAQSCDLDDWDTMVDTNIKGLLYSTRLLLPRLIAHGAGASIVNLGSVAGKWPYPGSHVYGGTKAFVEQFSLNLRCDLQGTGVRVTNLEPGLCESEFSLVRFGGDQARYDKTYAGAHPIQPEDIAETIFWIMNQPAHLNINSLEIMPVSQSWAGFAIHRES
3RKU Chain:B ((33-279))
-KKTVLITGASAGIGKATALEYLEASNGDMKLILAARRLEKLEELKKTIDQEFPNAKVHVAQLDITQAEKIKPFIENLPQEFKDIDILVNNAGKALGSDRVGQIATEDIQDVFDTNVTALINITQAVLPIFQAKNSG-DIVNLGSIAGRDAYPTGSIYCASKFAVGAFTDSLRKELINTKIRVILIAPGLVETEFSLVRYRGNEEQAKNVYKDTTPLMADDVADLIVYATSRKQNTVIADTLIFPTNQA----------
General information:
TITO was launched using:
RESULT:
Template:
3RKU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -126741 for 2014 contacts (-62.9/contact) +
2D Compatibility (PS) -26080 + (NN) -10612 + (LL) 1180
1D Compatibility (HY) -17600 + (ID) 4250
Total energy: -184103.0 ( -91.41 by residue)
QMean score : 0.565
(partial model without unconserved sides chains):
PDB file :
Tito_3RKU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3RKU-query.scw
PDB file :
Tito_Scwrl_3RKU.pdb
: