Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQKKIFLLEDDYLLSESIKEFLEHLGYEVFCAFNGKEAHERLSVERFNLLLLDVQVPEMNSLELFKRIKNDFLISTPVIFITALQDNATLKNAFNLGASDYLKKPFDLDELEARIKRFFNDDPIEIM-----PNIFYH--QHALNVKGKKEILAPKTAQLLEYFLEHKGQIISSQALENNLWEQAI-DDSTLRTYIKVLRKLLGKN-----CIETHKGVGYRFNPL
2GWR Chain:A ((5-227))
-RQRILVVDDDASLAEMLTIVLRGEGFDTAVIGDGTQALTAVRELRPDLVLLDLMLPGMNGIDVCRVLRA--DSGVPIVMLTAKTDTVDVVLGLESGADDYIMKPFKPKELVARVRARLRRNDDEPAEMLSIADVEIDVPAHKVTRNGEQISLTPLEFDLLVALARKPRQVFTRDVLLEQVWGYR-ADTRLVNVHVQRLRAKVEKDPENPTVVLTVRGVGYKAGPP
General information:
TITO was launched using:
RESULT:
Template:
2GWR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -136233 for 1620 contacts (-84.1/contact) +
2D Compatibility (PS) -22790 + (NN) -13251 + (LL) 468
1D Compatibility (HY) -11200 + (ID) 2600
Total energy: -185606.0 ( -114.57 by residue)
QMean score : 0.615
(partial model without unconserved sides chains):
PDB file :
Tito_2GWR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2GWR-query.scw
PDB file :
Tito_Scwrl_2GWR.pdb
: