Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRIENRVFLVTGGSSGLGAATAKMLVEQGGKVVLADINAEAGAAKAAELGAQARFVRADIASEADGRQAVAAALEAFGGLHGLANCAGVAPAEKVLGRNGIHALESFRRVIDINLVGSFNMLRLAAEAMSQGQPDEGGERGVIVNTASVAAFDGQIGQAAYSASKSGVVGMTLPIARELARFGIRVMTIAPGIFETPMMAGMPQEVRDSLGASVPFPPRLGRPDEYAALVRQIIENSMLNGEVIRLDGAIRMAAR
4PN3 Chain:D ((9-263))
MQIENRVFLITGAGSGLGAAVSKMAVEAGAKVVLLDVNAEAGEAGAKALGASARFQRTDVASDTDGKAAIAAAIEAFSRIDVLVNCAGVAPGEKVLGREGAHKLETFTRTISINLIGTFNMLRLAAEAMAKNEPGQGGERGVIINTASVAAFDGQIGQAAYSASKGGVAAMTLPVARELARHGIRVMTIAPGIFKT------------ALGASVPFPPRLGEPAEYAALVRHIVENQMLNGEVIRLDGALRMAAK
General information:
TITO was launched using:
RESULT:
Template:
4PN3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -133145 for 2098 contacts (-63.5/contact) +
2D Compatibility (PS) -26660 + (NN) -10689 + (LL) 756
1D Compatibility (HY) -25600 + (ID) 9050
Total energy: -204388.0 ( -97.42 by residue)
QMean score : 0.563
(partial model without unconserved sides chains):
PDB file :
Tito_4PN3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4PN3-query.scw
PDB file :
Tito_Scwrl_4PN3.pdb
: