Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRIENRVFLVTGGSSGLGAATAKMLVEQGGKVVLADINAEAGAAKAAELGAQARFVRADIASEADGRQAVAAALEAFGGLHGLANCAGVAPAEKVLGRNGIHALESFRRVIDINLVGSFNMLRLAAEAMSQGQPDEGGERGVIVNTASVAAFDGQIGQAAYSASKSGVVGMTLPIARELARFGIRVMTIAPGIFETPMMAGMPQEVRDSLGASVPFPPRLGRPDEYAALVRQIIENSMLNGEVIRLDGAIRMAAR
4PN3 Chain:F ((9-263))
MQIENRVFLITGAGSGLGAAVSKMAVEAGAKVVLLDVNAEAGEAGAKALGASARFQRTDVASDTDGKAAIAAAIEAFSRIDVLVNCAGVAPGEKVLGREGAHKLETFTRTISINLIGTFNMLRLAAEAMAKNEPGQGGERGVIINTASVAAFDGQIGQAAYSASKGGVAAMTLPVARELARHGIRVMTIAPGIFKTP-----PQEVQDALGASVPFPPRLGEPAEYAALVRHIVENQMLNGEVIRLDGALRMAAK
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) -129265 for 2142 contacts (-60.3/contact) +
2D Compatibility (PS) -27576 + (NN) -12209 + (LL) 596
1D Compatibility (HY) -26000 + (ID) 9350
Total energy: -203804.0 ( -95.15 by residue)
QMean score : 0.542
(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
: