Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKATTIIGIAGGSGSGKTTVTNEIMKNL-------EGHSVALLAQDYYYK----DQKHLTFDERLETNYDHPFAFDNDLLIENLKDLKNGKAVEVPTYDYASHTRSDITIDFKPKDVIIVEGIFALENKVLRDMMDVKIYVDTDADLRILRRLTRDTKERGRSMDSVINQYLSVVRPMHDQFIEPTKKYADIIIPEGGSNKVAIDIMTTKIQSLVSKQ
1XRJ Chain:A ((22-230))
-----LIGVSGGTASGKSSVCAKIVQLLGQNEVDYRQKQVVILSQDSFYRVLTSEQKAKALKGQF--NFDHPDAFDNELILKTLKEITEGKTVQIPVYDFVSHSRKEETVTVYPADVVLFEGILAFYSQEVRDLFQMKLFVDTDADTRLSRRVLRDISERGRDLEQILSQYITFVKPAFEEFCLPTKKYADVIIPRGADNLVAINLIVQHIQDILN--
General information:
TITO was launched using:
RESULT:
Template:
1XRJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -75472 for 1538 contacts (-49.1/contact) +
2D Compatibility (PS) -21575 + (NN) -10956 + (LL) 860
1D Compatibility (HY) -22000 + (ID) 4250
Total energy: -133393.0 ( -86.73 by residue)
QMean score : 0.494
(partial model without unconserved sides chains):
PDB file :
Tito_1XRJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1XRJ-query.scw
PDB file :
Tito_Scwrl_1XRJ.pdb
: