Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNPREHGKRSIDNETRSALKRQRPAVIWLTGLSGAGKSTIASALELALFEQKKHTFLLDGDDLRLGLCRNLGYSDEDRTENIRRIAEVAKILLEAGLIVIVATISPFSRDRRLSRELIGIEH------FIEVFVDTPLSECERRDPKGLYRKARSGKIENFTGIDSIYETPAQPNITIDTLSEDPDLAVKRIISYLETNQPA
2PEZ Chain:A ((4-174))
----------------------RGCTVWLTGLSGAGKTTVSMALEEYLVCHGIPCYTLDGDNIRQGLNKNLGFSPEDREENVRRIAEVAKLFADAGLVCITSFISPYTQDRNNARQI----HEGASLPFFEVFVDAPLHVCEQRDVKGLYKKARAGEIKGFTGIDSEYEKPEAPELVLKTDSCDVNDCVQQVVELLQERDIV
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) -100320 for 1336 contacts (-75.1/contact) +
2D Compatibility (PS) -18531 + (NN) -12511 + (LL) 1420
1D Compatibility (HY) -14000 + (ID) 4350
Total energy: -148292.0 ( -111.00 by residue)
QMean score : 0.696
(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
: