Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSSNYFALFKIE-----PAFNISLDELEKKYIELSKTDINER---QSQNMENINKAYQVLKSPLKRAEHLLNLF-GVRSQED-------QHNFEILNESMEIREYLLDCNNL---QLASGMIDEKIKDCIKNLTNNFAVKNFDEAAMQVLRLKYLYKSFEEIKNETNSNF
3UO3 Chain:A ((10-177))
-TSTFYELFPKTFPKKLPIWTIDQSRLRKEYRQLQAQHHPDMAQQGSEQSSTLNQAYHTLKDPLRRSQYMLKLLRNIDLTQEQTSNEVTTSDPQLLLKVLDIHDELSQMDDEAGVKLLEKQNKERIQDIEAQLGQCYNDKDYAAAVKLTVELKYWYNLAKAFKDWAPGKQ
General information:
TITO was launched using:
RESULT:
Template:
3UO3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -27386 for 923 contacts (-29.7/contact) +
2D Compatibility (PS) -16452 + (NN) -11571 + (LL) 208
1D Compatibility (HY) -7600 + (ID) 1750
Total energy: -64551.0 ( -69.94 by residue)
QMean score : 0.505
(partial model without unconserved sides chains):
PDB file :
Tito_3UO3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3UO3-query.scw
PDB file :
Tito_Scwrl_3UO3.pdb
: