Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNPREHGKRSIDNETRSALKRQRPAVIWLTGLSGAGKSTIASALELALFEQKKHTFLLDGDDLRLGLCRNLGYSDEDRTENIRRIAEVAKILLEAGLIVIVATISPFSRDRRLSRELIGIEH------FIEVFVDTPLSECERRDPKGLYRKARSGKIENFTGIDSIYETPAQPNITIDTLSEDPDLAVKRIISYLETNQPA
1XJQ Chain:B ((51-221))
----------------------RGCTVWLTGLSGAGKTTVSMALEEYLVCHGIPCYTLDGDNIRQGLNKNLGFSPEDREENVRRIAEVAKLFADAGLVCITSFISPYTQDRNNARQI----HEGASLPFFEVFVDAPLHVCEQRDVKGLYKKARAGEIKGFTGIDSEYEKPEAPELVLKTDSCDVNDCVQQVVELLQERDIV
General information:
TITO was launched using:
RESULT:
Template:
1XJQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -104475 for 1318 contacts (-79.3/contact) +
2D Compatibility (PS) -18531 + (NN) -12511 + (LL) 1420
1D Compatibility (HY) -14000 + (ID) 4350
Total energy: -152447.0 ( -115.67 by residue)
QMean score : 0.597
(partial model without unconserved sides chains):
PDB file :
Tito_1XJQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1XJQ-query.scw
PDB file :
Tito_Scwrl_1XJQ.pdb
: