Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MFDSKVAIVTGAAQGIGQAYAQALAREGASVVVADINADGAAAVAKQIVADGGTAIHVPVDVSDEDSAKAMVDRAVGAFGGIDYLVNNAAIYGGMKL------DLLLTVPLDYYKKFMSVNHDGVLVCTRAVYKHMAKRGGGAIVNQSSTAAWLYSNF----YGLAKVGVNGLTQQLARELGGMKIRINAIAPGPIDTEATRTVTPAELVKNMVQTIPLSRMGTPEDLVGMCLFLLSDSASWITGQIFNVDGGQIIRS
4NBW Chain:B ((5-257))
---KRVAIITGAANGIGRATALEFAQAGYHVVAWDLAEEAGAALIAEIADAGGSADFARVDVSAAESVEAAVAEIIAEHGRVDVLVNNAGILHDGQLVKVKGGEVVKKMAEAQFDAVISVNLKGVFLCTQAVAPHMIAAKYGRILNASSVVG-LYGNFGQTNYVAAKSGVIGMTKVWARELGRYGITVNAIAPGFIATEMVQQM-PERVLEAMVARTPVGRIGDPVDIARAYLFLASEESGFISGTTLSVDGGMVVGS
General information:
TITO was launched using:
RESULT:
Template:
4NBW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -164442 for 2068 contacts (-79.5/contact) +
2D Compatibility (PS) -26279 + (NN) -8922 + (LL) 472
1D Compatibility (HY) -19200 + (ID) 5000
Total energy: -223371.0 ( -108.01 by residue)
QMean score : 0.547
(partial model without unconserved sides chains):
PDB file :
Tito_4NBW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4NBW-query.scw
PDB file :
Tito_Scwrl_4NBW.pdb
: