Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKDEHNQEHDHLSPKEPESYQKAYACKEQQGEEKQEASEKEGEIKEDFELKYQEMREQYLRVHADFENVKKRLERDKSMALEYAYEKIALDLLPVIDALLGAHKSAVEVDKESALTKGLELTMEKLHEVLARHGIEGIECL-EEFDPNFHNAIMQVKSEEKENGKIVQVLQQGYKYKGRVLRPAMVSIAKND-
1DKG Chain:A ((34-197))
------------------------------AEQVDPRDEKVANLEAQLAEAQTRERDGILRVKAEMENLRRRTELDIEKAHKFALEKFINELLPVIDSLDRALEV-----AMSAMVEDIELTLKSMLDVVRKFGVEVIAETNVPLDPNVHQAIAMVESDDVAPGNVLGIMQKGYTLNGRTIRAAMVTVAKAKA
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) -14685 for 918 contacts (-16.0/contact) +
2D Compatibility (PS) -16822 + (NN) -10275 + (LL) 2288
1D Compatibility (HY) -10400 + (ID) 2700
Total energy: -52594.0 ( -57.29 by residue)
QMean score : 0.457
(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
: