Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNDFSKWTGQVALISGAGSELGIGFAIARRLAREGVRLLITASSERIRQRAEELSACGHDVRAASADLTDEAQVQGLLDWAEAQWGRVDILVNNAGMAQLDSAEPFSAVEATSLRDWQLSLSRNLTSAFLLTRGLLPGMRERGYGRIVNVASTTGTRGSNPGEAAYSAAKAGLVGWSMGLALEVAKSGITVNSVAPGWIATASSTA---EERQAALAS-PSGRAGRPEEVAAAVAFLASPEASFVNGELLVVDGGNCLIENKRS
3RRO Chain:B ((5-251))
-SQFMNLEGKVALVTGASR--GIGKAIAELLAERGAKVIGTATSESGAQAISDY--LGDNGKGMALNVTNPESIEAVLKAITDEFGGVDILVNNAGITRDNLLMRMKEEE------WSDIMETNLTSIFRLSKAVLRGMMKKRQGRIINVGSVVGTMG-NAGQANYAAAKAGVIGFTKSMAREVASRGVTVNTVAPGFIETDMTKALNDEQRTATLAQVPAGRLGDPREIASAVAFLASPEAAYITGETLHVNGGMYMI-----
General information:
TITO was launched using:
RESULT:
Template:
3RRO.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -112036 for 2083 contacts (-53.8/contact) +
2D Compatibility (PS) -27274 + (NN) -17243 + (LL) 1104
1D Compatibility (HY) -16800 + (ID) 5400
Total energy: -177649.0 ( -85.29 by residue)
QMean score : 0.521
(partial model without unconserved sides chains):
PDB file :
Tito_3RRO.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3RRO-query.scw
PDB file :
Tito_Scwrl_3RRO.pdb
: