Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKDEHNQEHDHLSPKEPESYQKAYACKEQQGEEKQEASEKEGEIKEDFELKYQEMREQYLRVHADFENVKKRLERDKSMALEYAYEKIALDLLPVIDALLGAHKSAVEVDKESALTKGLELTMEKLHEVLARHGIEGIEC-LEEFDPNFHNAIMQVKSEEKENGKIVQVLQQGYKYKGRVLRPAMVSIAKND
1DKG Chain:A ((34-196))
--------------------AEQVDPRDEKVANLEAQL-------AEAQT---RERDGILRVKAEMENLRRRTELDIEKAHKFALEKFINELLPVIDSLDRALEVA-----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) -13580 for 912 contacts (-14.9/contact) +
2D Compatibility (PS) -16809 + (NN) -9745 + (LL) 1928
1D Compatibility (HY) -9600 + (ID) 2600
Total energy: -50406.0 ( -55.27 by residue)
QMean score : 0.461
(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
: