Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKDEHNQEHDHLSPKEPESYQKAYACKEQQGEEKQEASEKEGEIKEDFELKYQEMREQYLRVHADFENVKKRLERDKSMALEYAYEKIALDLLPVIDALLGAHKSAVEVDKE-SALTKGLELTMEKLHEVLARHGIEGI-ECLEEFDPNFHNAIMQVKSEEKENGKIVQVLQQGYKYKGRVLRPAMVSIAKND
1DKG Chain:A ((59-194))
-------------------------------------------------------RDGILRVKAEMENLRRRTELDIEKAHKFALEKFINELLPVIDSLDRALEVA------MSAMVEDIELTLKSMLDVVRKFGVEVIAETNVPLDPNVHQAIAMVESDDVAPGNVLGIMQKGYTLNGRTIRAAMVTVAKAK
General information:
TITO was launched using:
RESULT:
Template:
1DKG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -28637 for 788 contacts (-36.3/contact) +
2D Compatibility (PS) -13432 + (NN) -7022 + (LL) 4252
1D Compatibility (HY) -10800 + (ID) 2650
Total energy: -58289.0 ( -73.97 by residue)
QMean score : 0.456
(partial model without unconserved sides chains):
PDB file :
Tito_1DKG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1DKG-query.scw
PDB file :
Tito_Scwrl_1DKG.pdb
: