Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MALLEVKNLSKHF--GGLTAVGDVSMKLHKGELIGLIGPNGAGKTTLFNLLTGVYLPSKGTISLDGKIL--NGRKPAKIASLGLGRTFQNIRLFKNMTVLDNVLVGLSNHHLSHPIASFLRLPKYYHSEKALRKKALELLEIFGLKAYQDALAKNLPYGKQRRLEIVRALATEPKILFLDEPAAGMNPQETAELTQLISQIKSDFDITIMLIEHDMNLVMQVTERIYVLEYGRLIAHGTPEEIKNNKRVIE-AYLGGEL
1OXU Chain:A ((1-244))
MVRIIVKNVSKVFKKGKVVALDNVNINIENGERFGILGPSGAGKTTFMRIIAGLDVPSTGELYFDDRLVASNGKLIVPPEDRKIGMVFQTWALYPNLTAFENIAFPLTNMKMS---------------KEEIRKRVEEVAKILDIHHVLNHFPRELSGGQQQRVALARALVKDPSLLLLDEPFSNLDARMRDSARALVKEVQSRLGVTLLVVSHDPADIFAIADRVGVLVKGKLVQVGKPEDLYDNPVSIQVASLIGEI
General information:
TITO was launched using:
RESULT:
Template:
1OXU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -157867 for 1956 contacts (-80.7/contact) +
2D Compatibility (PS) -26151 + (NN) -9450 + (LL) 932
1D Compatibility (HY) -21200 + (ID) 3700
Total energy: -217436.0 ( -111.16 by residue)
QMean score : 0.619
(partial model without unconserved sides chains):
PDB file :
Tito_1OXU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1OXU-query.scw
PDB file :
Tito_Scwrl_1OXU.pdb
: