Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKDEHNQEHDHLSPKEPESYQKAYACKEQQGEEKQEASEKEGEIKEDFELKYQEMREQYLRVHADFENVKKRLERDKSMALEYAYEKIALDLLPVIDALLGAHKSAVEVDKESA--LTKGLELTMEKLHEVLARHGIEGIECL-EEFDPNFHNAIMQVKSEEKENGKIVQVLQQGYKYKGRVLRPAMVSIAKND
4ANI Chain:A ((70-213))
----------------------------------------------ELEAKLSEMEHRYLRLYADFENFRRRTRQEMEAAEKYRAQSLASDLLPVLDNFERALK--IETDNEQAKSILQGMEMVYRSLVDALKKEGVEAIEAVGKPFDPYLHQAVMQAEAEGYEPNTVVEELQKGYKLKDRVLRPAMVKVSQ--
General information:
TITO was launched using:
RESULT:
Template:
4ANI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -39610 for 844 contacts (-46.9/contact) +
2D Compatibility (PS) -14906 + (NN) -6554 + (LL) 2708
1D Compatibility (HY) -10800 + (ID) 3000
Total energy: -72162.0 ( -85.50 by residue)
QMean score : 0.414
(partial model without unconserved sides chains):
PDB file :
Tito_4ANI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4ANI-query.scw
PDB file :
Tito_Scwrl_4ANI.pdb
: