Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLNRSTDTKRKEMIELKGPEICTDRSRENLIVCLHGRGSSGNNFVHLA------KVMSKSLPNSCFVAPNAPSKREIGNGYQWFSLEDRSEEVLYNGVKNAASIVNHFIDTKLKEFSLKDTQLSLVGFSQGAMLAIHTALTRPQCCASVVAYSGKFLSPSRVAPKIKSRPNVCVIHGDADNVVPFSFFDLTVKALKENGVNVEGYPIRTLGHLIN-KEGIKLGVEFIKKNFKK
3WYD Chain:A ((23-217))
-------------YRLYVPTTYDGTKAFPLVIALHGMGGDENSYFDSYQRGAFMIEAEN--RGYIVACPKG------------YV-------------GPAERDVMDVIAEVRRDYKIDPDRIYMTGHSMGGYGTWSIAMNHPDVFAALAPVAGGGNPLG---MANIAHIPQLVVHGDNDKTVPVERSRVMVEAAKKHGTEIKYIEIPGGDHVSVAARTFKDVFDWFDSHKRK
General information:
TITO was launched using:
RESULT:
Template:
3WYD.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -119825 for 1579 contacts (-75.9/contact) +
2D Compatibility (PS) -19635 + (NN) -9754 + (LL) 2660
1D Compatibility (HY) -6400 + (ID) 1650
Total energy: -154604.0 ( -97.91 by residue)
QMean score : 0.452
(partial model without unconserved sides chains):
PDB file :
Tito_3WYD.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3WYD-query.scw
PDB file :
Tito_Scwrl_3WYD.pdb
: