Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNPREHGKRSIDNETRSALKRQRPAVIWLTGLSGAGKSTIASALELALFEQKKHTFLLDGDDLRLGLCRNLGYSDEDRTENIRRIAEVAKILLEAGLIVIVATISPFSRDRRLSRELIG--IEHFIEVFVDTPLSECERRDPKGLYRKARSGKIENFTGIDSIYETPAQPNITIDTLSEDPDLAVKRIISYLETNQPA
2PEZ Chain:A ((4-177))
----------------------RGCTVWLTGLSGAGKTTVSMALEEYLVCHGIPCYTLDGDNIRQGLNKNLGFSPEDREENVRRIAEVAKLFADAGLVCITSFISPYTQDRNNARQIHEGASLPFFEVFVDAPLHVCEQRDVKGLYKKARAGEIKGFTGIDSEYEKPEAPELVLKTDSCDVNDCVQQVVELLQERDIV
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) -100252 for 1397 contacts (-71.8/contact) +
2D Compatibility (PS) -19257 + (NN) -12576 + (LL) 1080
1D Compatibility (HY) -13200 + (ID) 4300
Total energy: -148505.0 ( -106.30 by residue)
QMean score : 0.687
(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
: