Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSVSSASLAGKVAFVQGGSRGIGAAIVRRLAAEGASVAFTYVSSADKSRALAAELEGAGASILALHADSADAAALVAAVDEAAARFGRIDILVNNAAVLALGSVEELPLADFERTLAINVRSVFVATQAAVKHMGDGGRVISIGSTNAERMPFAGGATYAMSKSALVGLTKGLARDLGPRGITVNNVQPGPVDTDMN--------PDDGDFAEALKGLMA-----LPRYARSEEIASFVAYLAGPEAAYITGASLTIDGGFSA
3QWI Chain:A ((16-268))
-------LDGKVALVTGSGRGIGAAVAVHLGRLGAKVVVNYANSTKDAEKVVSEIKALGSDAIAIKADIRQVPEIVKLFDQAVAHFGHLDIAVSNSGVVSFGHLKDVTEEEFDRVFSLNTRGQFFVAREAYRHLTEGGRIVLTSSNTSKDFSVPKHSLYSGSKGAVDSFVRIFSKDCGDKKITVNAVAPGGTVTDMFHEVSHHYIPNGTSYTAEQRQQMAAHASPLHRNGWPQDVANVVGFLVSKEGEWVNGKVLTLDGGAA-
General information:
TITO was launched using:
RESULT:
Template:
3QWI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -126245 for 2075 contacts (-60.8/contact) +
2D Compatibility (PS) -27379 + (NN) -22043 + (LL) 564
1D Compatibility (HY) -17600 + (ID) 3900
Total energy: -196603.0 ( -94.75 by residue)
QMean score : 0.651
(partial model without unconserved sides chains):
PDB file :
Tito_3QWI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3QWI-query.scw
PDB file :
Tito_Scwrl_3QWI.pdb
: