Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIKILVVEDNIVQQKIITTKLTQEGYQFITASNGQEALNCLDTEEVQLIITDIMMPMMDGYQLIQELRSAAYNVPIIVMTAKSQMEDMTKGFGLGADDYMVKPVQLQELALRIKALLRRANIVAQHQLIIGNTCLNEDELSLKYFEQEIVFPQKEFRVLFHLLSYPNRIFTRLELLDSIWGMDTDLDERVVDACINKIRRKVEHLPDFKIETVRGVGYRAKND
1NXX Chain:A ((2-119))
-KKILIVDDEKPISDIIKFNMTKEGYEVVTAFNGREALEQFEAEQPDIIILDL----IDGLEVAKTIRKTS-SVPILMLSAKDSEFDKVIGLELGADDYVTKPFSNRELQARVKALLRRS-------------------------------------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
1NXX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -96282 for 902 contacts (-106.7/contact) +
2D Compatibility (PS) -12426 + (NN) -5578 + (LL) 8904
1D Compatibility (HY) -9200 + (ID) 2450
Total energy: -117032.0 ( -129.75 by residue)
QMean score : 0.520
(partial model without unconserved sides chains):
PDB file :
Tito_1NXX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1NXX-query.scw
PDB file :
Tito_Scwrl_1NXX.pdb
: