Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGFLTGKRALIVGVASKLSIASGIAAAMHREGAELAFTYQNDKLRGRVEEFASGWGSRPELCFPCDVADDSQIEAVFAALGKHWDGLDIIVHSVGFAPGDQLDGDFTAVTTREGFRIAHDISAYSFIALAKAGREMMKGRNGSLLTLSYLGAERTMPNYNVMGMAKASLEAGVRYLAGSLGAEGTRVNAVSAGPIRTLAASGIKSFRKMLAANERQTPLRRNVTIEEVGNAGAFLCSDLASGISGEILYVDGGFNTTAMGPLDDD
4BKU Chain:A ((2-257))
-GFLDGKRILLTGLLSNRSIAYGIAKACKREGAELAFTYVGDRFKDRITEFAAEFGS--ELVFPCDVADDAQIDALFASLKTHWDSLDGLVHSIGFAPREAIAGDFLDGLTRENFRIAHDISAYSFPALAKAALPMLSD-DASLLTLSYLGAERAIPNYNTMGLAKAALEASVRYLAVSLGAKGVRVNAISAGPIKTLAASGIKSFGKILDFVESNSPLKRNVTIEQVGNAGAFLLSDLASGVTAEVMHVDSGFNAVVGGM----
General information:
TITO was launched using:
RESULT:
Template:
4BKU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -179352 for 2193 contacts (-81.8/contact) +
2D Compatibility (PS) -27847 + (NN) -10367 + (LL) 152
1D Compatibility (HY) -26800 + (ID) 8500
Total energy: -252714.0 ( -115.24 by residue)
QMean score : 0.559
(partial model without unconserved sides chains):
PDB file :
Tito_4BKU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4BKU-query.scw
PDB file :
Tito_Scwrl_4BKU.pdb
: