Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKDEHNQEHDHLSPKEPESYQKAYACKEQQGEEKQEASEKEGEIKEDFELKYQEMREQYLRVHADFENVKKRLERDKSMALEYAYEKIALDLLPVIDALLGAHKSAVEVDKESALTKGLELTMEKLHEVLARHGIEGIEC-LEEFDPNFHNAIMQVKSEEKENGKIVQVLQQGYKYKGRVLRPAMVSIAKND
3A6M Chain:A ((9-170))
-------------------------TLEKDLEAVGQEAQALEERLKAAEEELKGLKDKYLRLLADFDNYRKRMEEELKAREREGVLKALRALLPVLDDLDRALEFAEA--SPESIRQGVRAIRDGFFRILAGLGVEEVPGEGEAFDPRYHEAVGLLPG---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) -16377 for 883 contacts (-18.5/contact) +
2D Compatibility (PS) -17138 + (NN) -6938 + (LL) 1656
1D Compatibility (HY) -6400 + (ID) 2200
Total energy: -47397.0 ( -53.68 by residue)
QMean score : 0.413
(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
: