Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNPREHGKRSIDNETRSALKRQRPAVIWLTGLSGAGKSTIASALELALFEQKKHTFLLDGDDLRLGLCRNLGYSDEDRTENIRRIAEVAKILLEAGLIVIVATISPFSRDRRLSRELIGIEH------FIEVFVDTPLSECERRDPKGLYRKARSGKIENFTGIDSIYETPAQPNITIDTLSEDPDLAVKRIISYLETNQPA
2PEY Chain:A ((4-174))
----------------------RGCTVWLTGLSGAGKTTVSMALEEYLVCHGIPCYTLDGDNIRQGLNKNLGFSPEDREENVRRIAEVAKLFADAGLVCITSFISPYTQDRNNARQI----HEGASLPFFEVFVDAPLHVCEQRDVKGLYKKARAGEIKGFTGIDSEYEKPEAPELVLKTDSCDVNDCVQQVVELLQERDIV
General information:
TITO was launched using:
RESULT:
Template:
2PEY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -96719 for 1323 contacts (-73.1/contact) +
2D Compatibility (PS) -18559 + (NN) -12200 + (LL) 1420
1D Compatibility (HY) -14000 + (ID) 4350
Total energy: -144408.0 ( -109.15 by residue)
QMean score : 0.673
(partial model without unconserved sides chains):
PDB file :
Tito_2PEY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2PEY-query.scw
PDB file :
Tito_Scwrl_2PEY.pdb
: