Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTTVYLSLGSNIGDRETFLKQALFSIDHLQKTKVAQISAIYETAAWGNTNQEDFFNICCQVETDLAPFELLDYCQEIEKRLKRVRHEHWGPRTIDIDILLFGNQVINQEDLVVPHPYMTKRAFVLVPLLEIAPQLSLPNGSKLEDYL-----EKLNLGEVHYLKPVE
1RU1 Chain:A ((1-150))
-TVAYIAIGSNLASPLEQVNAALKALGDIPESHILTVSSFYRTPP------PDYLNAAVALETSLAPEELLNHTQRIELQQGR--------RTLDLDIMLFGNEVINTERLTVPHYDMKNRGFMLWPLFEIAPELVFPDGEMLRQILHTRAFDKLNKW---------
General information:
TITO was launched using:
RESULT:
Template:
1RU1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -134188 for 1042 contacts (-128.8/contact) +
2D Compatibility (PS) -14410 + (NN) -5958 + (LL) 1068
1D Compatibility (HY) -13200 + (ID) 2950
Total energy: -169638.0 ( -162.80 by residue)
QMean score : 0.625
(partial model without unconserved sides chains):
PDB file :
Tito_1RU1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1RU1-query.scw
PDB file :
Tito_Scwrl_1RU1.pdb
: