Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKDEHNQEHDHLSPKEPESYQKAYACKEQQGEEKQEASEKEGEIKEDFELKYQEMREQYLRVHADFENVKKRLERDKSMALEYAYEKIALDLLPVIDALLGAHKSAVEVDKESALTKGLELTMEKLHEVLARHGIEGIEC-LEEFDPNFHNAIMQVKSEEKENGKIVQVLQQGYKYKGRVLRPAMVSIAKND
3A6M Chain:A ((38-167))
------------------------------------------------------LKDKYLRLLADFDNYRKRMEEELKAREREGVLKALRALLPVLDDLDRALEFA-EASPES-IRQGVRAIRDGFFRILAGLGVEEVPGEGEAFDPRYHEAVGLLPG---EPGKVAKVFQRGFRMGEALVRPARVAVGEEK
General information:
TITO was launched using:
RESULT:
Template:
3A6M.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -25682 for 737 contacts (-34.8/contact) +
2D Compatibility (PS) -13507 + (NN) -5163 + (LL) 4072
1D Compatibility (HY) -7600 + (ID) 2150
Total energy: -50030.0 ( -67.88 by residue)
QMean score : 0.383
(partial model without unconserved sides chains):
PDB file :
Tito_3A6M.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3A6M-query.scw
PDB file :
Tito_Scwrl_3A6M.pdb
: