Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKILIVDDEKPISDIIKFNLTKEGYETATAFDGREALVQYAEFQPDLIILDLMLPELDGLEVAKEVRKTSHIPIIMLSAKDSEFDKVIGLEIGADDYVTKPFSNRELLARVKAHLRRTENIETAVAEESAQNASSDITIGELQILPDAFIAKKRGEEIELTHREFELLHHLATHIGQVMTREHLLETVWGYDYFGDVRTVDVTVRRLREKIEDTPGRPEYILTRRGVGYYMKSYE
2GWR Chain:A ((6-228))
-QRILVVDDDASLAEMLTIVLRGEGFDTAVIGDGTQALTAVRELRPDLVLLDLMLPGMNGIDVCRVLRADSGVPIVMLTAKTDTVDVVLGLESGADDYIMKPFKPKELVARVRARLRRNDDEPAE-----------MLSIADVEIDVPAHKVTRNGEQISLTPLEFDLLVALARKPRQVFTRDVLLEQVWGYR--ADTRLVNVHVQRLRAKVEKDPENPTVVLTVRGVGYKAGPP-
General information:
TITO was launched using:
RESULT:
Template:
2GWR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -125065 for 1760 contacts (-71.1/contact) +
2D Compatibility (PS) -23997 + (NN) -15857 + (LL) 1324
1D Compatibility (HY) -22000 + (ID) 5000
Total energy: -190595.0 ( -108.29 by residue)
QMean score : 0.565
(partial model without unconserved sides chains):
PDB file :
Tito_2GWR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2GWR-query.scw
PDB file :
Tito_Scwrl_2GWR.pdb
: