Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNNIAYIALGSNIGDRETYLRQAVALLHQHAAVTVTKVSSIYETDPVGYEDQAQFLNMAVEIKTSLNPFELLELTQQIENELGRTREV-RWGPRTADLDILLFNRENIETEQLIVPHPRMYERLFVLAPLAEICQQVEKEATSAETDQEGVRVWKQKSGVDEFVHSES
1HQ2 Chain:A ((2-135))
---VAYIAIGSNLASPLEQVNAALKALGDIPESHILTVSSFYRTPPLGPQDQPDYLNAAVALETSLAPEELLNHTQRIELQQGAVRKAERWGPRTLDLDIMLFGNEVINTERLTVPHYDMKNRGFMLWPLFEIAPEL-------------------------------
General information:
TITO was launched using:
RESULT:
Template:
1HQ2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -96958 for 1022 contacts (-94.9/contact) +
2D Compatibility (PS) -13766 + (NN) -3434 + (LL) 2088
1D Compatibility (HY) -9600 + (ID) 3150
Total energy: -124820.0 ( -122.13 by residue)
QMean score : 0.581
(partial model without unconserved sides chains):
PDB file :
Tito_1HQ2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1HQ2-query.scw
PDB file :
Tito_Scwrl_1HQ2.pdb
: