Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIKILVVEDNIVQQKIITTKLTQEGYQFITASNGQEALNCLDTEEVQLIITDIMMPMMDGYQLIQELRSAAYNVPIIVMTAKSQMEDMTKGFGLGADDYMVKPVQLQELALRIKALLRRANIVAQHQLIIGNTCLNEDELSLKYFEQEIVFPQKEFRVLFHLLSYPNRIFTRLELLDSIWGMDTDLDERVVDACINKIRRKVEHLP--DFKIETVRGVGYRAKND
2GWR Chain:A ((6-227))
-QRILVVDDDASLAEMLTIVLRGEGFDTAVIGDGTQALTAVRELRPDLVLLDLMLPGMNGIDVCRVLRAD-SGVPIVMLTAKTDTVDVVLGLESGADDYIMKPFKPKELVARVRARLRRNDDEPAEMLSIADVEIDVPAHKVTRNGEQISLTPLEFDLLVALARKPRQVFTRDVLLEQVWGYR--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) -136123 for 1736 contacts (-78.4/contact) +
2D Compatibility (PS) -23647 + (NN) -12433 + (LL) 328
1D Compatibility (HY) -13200 + (ID) 3650
Total energy: -188725.0 ( -108.71 by residue)
QMean score : 0.444
(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
: