Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSRLSAAVVAIDGPAGTGKSSVSRRLARELGARFLDTGAMYRIVTLAVLRAGADPSDIAAVETIASTVQMSLGYDPDGDSCYLAGEDVSVEIRGDAVTRAVSAVSSVPAVRTRLVELQRTMAEGPGSIVVEGRDIGTVVFPDAPVKIFLTASAETRARRRNAQNVAAGLADDYDGVLADVRRRDHLDSTRAVSPLQAAGDAVIVDTSDMTEAEVVAHLLELVTRRSEAVR
1KDP Chain:A ((5-223))
-----APVITIDGPSGAGKGTLCKAMAEALQWHLLDSGAIYRVLALAALHHHVDVASEDALVPLASHLDVRFVSTNGNLEVILEGEDVSGEIRTQEVANAASQVAAFPRVREALLRRQRAFRELPG-LIADGRDMGTVVFPDAPVKIFLDASSEERAHRRMLQLQEKGFSVNFERLLAEIKERDDRDRNRAVAPLVPAADALVLDSTTLSIEQVIEKALQYARQK-----
General information:
TITO was launched using:
RESULT:
Template:
1KDP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -111271 for 1797 contacts (-61.9/contact) +
2D Compatibility (PS) -23924 + (NN) -15323 + (LL) 912
1D Compatibility (HY) -18000 + (ID) 4400
Total energy: -172006.0 ( -95.72 by residue)
QMean score : 0.542
(partial model without unconserved sides chains):
PDB file :
Tito_1KDP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1KDP-query.scw
PDB file :
Tito_Scwrl_1KDP.pdb
: