Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNNIAYIALGSNIGDRETYLRQAVALLHQHAAVTVTKVSSIYETDPVGYEDQAQFLNMAVEIKTSLNPFELLELTQQIENELGRTREVRWGPRTADLDILLFNRENIETEQLIVPHPRMYERLFVLAPLAEICQQVEKEATSAETDQEGVRVWKQKSGVDEFVHSES
1RU1 Chain:B ((2-129))
---VAYIAIGSNLASPLEQVNAALKALGDIPESHILTVSSFYRTPPLGPQDQPDYLNAAVALETSLAPEELLNHTQRIELQQGRG-----GPRTLDLDIMLFGNEVINTERLTVPHYDMKNRGFMLWPLFEIAPEL-------------------------------
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) -103175 for 961 contacts (-107.4/contact) +
2D Compatibility (PS) -13328 + (NN) -3596 + (LL) 2740
1D Compatibility (HY) -9600 + (ID) 3050
Total energy: -130009.0 ( -135.29 by residue)
QMean score : 0.609
(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
: