Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNPREHGKRSIDNETRSALKRQRPAVIWLTGLSGAGKSTIASALELALFEQKKHTFLLDGDDLRLGLCRNLGYSDEDRTENIRRIAEVAKILLEAGLIVIVATISPFSRDRRLSRELIGIEH------FIEVFVDTPLSECERRDPKGLYRKARSGKIENFTGIDSIYETPAQPNITIDTLSEDPDLAVKRIISYLETNQPA
1XNJ Chain:B ((51-221))
----------------------RGCTVWLTGLSGAGKTTVSMALEEYLVCHGIPCYTLDGDNIRQGLNKNLGFSPEDREENVRRIAEVAKLFADAGLVCITSFISPYTQDRNNARQI----HEGASLPFFEVFVDAPLHVCEQRDVKGLYKKARAGEIKGFTGIDSEYEKPEAPELVLKTDSCDVNDCVQQVVELLQERDIV
General information:
TITO was launched using:
RESULT:
Template:
1XNJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -98200 for 1337 contacts (-73.4/contact) +
2D Compatibility (PS) -18531 + (NN) -12511 + (LL) 1420
1D Compatibility (HY) -14000 + (ID) 4350
Total energy: -146172.0 ( -109.33 by residue)
QMean score : 0.594
(partial model without unconserved sides chains):
PDB file :
Tito_1XNJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1XNJ-query.scw
PDB file :
Tito_Scwrl_1XNJ.pdb
: