Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVATLIIIRGNSASGKSKIAKQLQAELG---ENTLLLSQDYLRREMLGTKDGE---NTTTIPLLINLLNYGYHNCSYIILEGILRSDWYTPVWKHILKHNPNNTYAYYYDLSFQETVKRHSTRLKSLEFGE--DSLARWWLEKDFLKEIPEKILTKAM-SLEDVKKLIMTDVLP
2PEZ Chain:A ((4-174))
-RGCTVWLTGLSGAGKTTVSMALEEYLVCHGIPCYTLDGDNIRQGLNKNLGFSPEDREENVRRIAEVAKLFADAGLVCITSFISPYTQDRNNARQIHEGASLPFFEVFVDAPLHVCEQRDVKGLYKKARAGEIKGFTGIDSEYEKP-EAPELVLKTDSCDVNDCVQQVVELLQE
General information:
TITO was launched using:
RESULT:
Template:
2PEZ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -48513 for 1301 contacts (-37.3/contact) +
2D Compatibility (PS) -16445 + (NN) -1634 + (LL) 272
1D Compatibility (HY) -2000 + (ID) 1050
Total energy: -69370.0 ( -53.32 by residue)
QMean score : 0.428
(partial model without unconserved sides chains):
PDB file :
Tito_2PEZ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2PEZ-query.scw
PDB file :
Tito_Scwrl_2PEZ.pdb
: